null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 00:57:10 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: ./2pbl-1.8-parrot-noncs/2pbl-1.8-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./2pbl-1.8-parrot-noncs/2pbl-1.8-parrot-noncs.ins Phases from ./2pbl-1.8-parrot-noncs/2pbl-1.8-parrot-noncs.phi Native data from ./2pbl-1.8-parrot-noncs/2pbl-1.8-parrot-noncs.hkl Listing output to ./2pbl-1.8-parrot-noncs/2pbl-1.8-parrot-noncs.lst Phases output to ./2pbl-1.8-parrot-noncs/2pbl-1.8-parrot-noncs.phs Poly-Ala trace output to ./2pbl-1.8-parrot-noncs/2pbl-1.8-parrot-noncs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 1 21 1 Allowed origin shift code: 2 93715 Reflections read from file ./2pbl-1.8-parrot-noncs/2pbl-1.8-parrot-noncs.phi 93715 Reflections read from file ./2pbl-1.8-parrot-noncs/2pbl-1.8-parrot-noncs.hkl 93715 Unique data, highest resolution = 1.790 Angstroms Anisotropic scaling: intensities multiplied by 0.000059h^2 -0.000125k^2 +0.000109l^2 +0.000000kl +0.000083hl +0.000000hk 121 Reflections with d > 1.990 and 0 in range 1.990 > d > 1.790 added Density sharpening factor set to 1.06 Fourier grid = 256 x 128 x 81 0.000 <= z <= 0.500 92 Point spherical net set up with radius 2.42A 32 Extra Fourier layers will be generated <|E^2-1|> = 0.992 = 0.300, Contrast = 0.346, Connect. = 0.720 for dens.mod. cycle 1 = 0.300, Contrast = 0.440, Connect. = 0.742 for dens.mod. cycle 2 = 0.300, Contrast = 0.509, Connect. = 0.760 for dens.mod. cycle 3 = 0.300, Contrast = 0.532, Connect. = 0.768 for dens.mod. cycle 4 = 0.300, Contrast = 0.546, Connect. = 0.773 for dens.mod. cycle 5 = 0.300, Contrast = 0.557, Connect. = 0.776 for dens.mod. cycle 6 = 0.300, Contrast = 0.565, Connect. = 0.779 for dens.mod. cycle 7 = 0.300, Contrast = 0.571, Connect. = 0.781 for dens.mod. cycle 8 = 0.300, Contrast = 0.577, Connect. = 0.783 for dens.mod. cycle 9 = 0.300, Contrast = 0.581, Connect. = 0.784 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 5087 peaks > 0.5 sigma used to seed fragment search Space for about 1111 unique residues taking solvent into account 1053 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 22 31.014 1.967 0.812 0.934 1.000 0.857 CB 1.324 B: 19 28.674 2.131 0.525 0.943 1.000 0.889 CB 1.442 C: 17 31.478 2.089 0.815 0.914 1.000 0.812 CA 1.469 17 residues pruned to eliminate duplicates D: 20 29.775 2.040 0.635 0.916 1.000 0.737 CA 1.446 19 residues pruned to eliminate duplicates E: 10 16.381 2.008 0.364 0.852 1.000 0.889 CA 1.475 F: 10 18.206 1.914 0.500 0.897 1.000 0.889 CB 1.513 11 residues pruned to eliminate duplicates G: 43 31.893 2.007 0.877 0.620 0.905 0.595 CB 1.289 20 residues pruned to eliminate duplicates H: 21 29.475 2.127 0.932 0.698 0.950 0.450 CB 1.409 I: 9 20.602 2.068 0.474 0.920 1.000 1.000 CA 1.683 J: 9 19.307 2.142 1.353 0.648 1.000 0.875 CB 1.180 K: 9 18.746 2.004 0.548 0.909 1.000 1.000 CA 1.517 9 residues pruned to eliminate duplicates L: 31 38.054 2.095 1.186 0.697 0.900 0.633 CB 1.408 22 residues pruned to eliminate duplicates M: 19 24.822 2.084 0.571 0.867 0.889 0.722 CB 1.471 19 residues pruned to eliminate duplicates N: 15 31.754 2.158 0.726 0.866 1.000 0.643 CA 1.668 O: 15 28.934 2.159 0.668 0.891 0.929 0.786 CA 1.663 15 residues pruned to eliminate duplicates P: 9 23.913 2.075 0.761 0.919 1.000 1.000 CA 1.631 9 residues pruned to eliminate duplicates Q: 84 47.995 2.064 0.883 0.602 0.928 0.627 CB 1.326 31 residues pruned to eliminate duplicates R: 15 31.377 2.165 0.827 0.902 0.929 0.786 CA 1.628 15 residues pruned to eliminate duplicates S: 16 26.982 2.073 0.731 0.889 0.933 0.800 CB 1.498 16 residues pruned to eliminate duplicates T: 19 36.636 2.125 0.957 0.939 0.944 0.556 CB 1.528 U: 22 29.229 2.045 0.687 0.815 1.000 0.905 CA 1.406 22 residues pruned to eliminate duplicates V: 10 12.420 1.841 0.502 0.802 0.889 0.889 CB 1.293 W: 15 30.531 2.140 0.787 0.929 0.929 0.786 CA 1.609 X: 8 20.889 2.104 0.682 0.868 1.000 0.857 CB 1.631 Y: 9 21.344 1.957 0.747 0.885 1.000 1.000 CA 1.593 8 residues pruned to eliminate duplicates Z: 16 26.250 2.043 0.742 0.875 0.933 0.800 CB 1.484 16 residues pruned to eliminate duplicates Z: 20 40.713 2.065 1.105 0.932 1.000 0.789 CB 1.501 19 residues pruned to eliminate duplicates Z: 9 14.588 1.958 0.660 0.759 0.875 0.875 CB 1.440 10 residues pruned to eliminate duplicates Z: 20 30.713 2.023 0.871 0.899 0.947 0.632 CA 1.404 20 residues pruned to eliminate duplicates Z: 10 17.241 1.931 0.694 0.887 0.889 0.556 CA 1.425 10 residues pruned to eliminate duplicates Z: 13 13.840 1.933 0.615 0.527 1.000 0.667 CB 1.246 Z: 15 30.856 2.119 0.708 0.898 1.000 0.786 CB 1.630 15 residues pruned to eliminate duplicates Z: 20 39.239 2.049 0.984 0.925 1.000 0.737 CA 1.554 20 residues pruned to eliminate duplicates Z: 9 9.141 1.928 0.403 0.704 0.875 0.250 CA 1.134 8 residues pruned to eliminate duplicates Z: 8 7.988 2.077 0.329 0.798 0.714 0.571 CB 1.180 8 residues pruned to eliminate duplicates Z: 16 26.143 2.003 0.853 0.855 0.933 0.400 CB 1.439 16 residues pruned to eliminate duplicates Z: 23 21.070 2.016 0.934 0.526 0.955 0.545 CB 1.176 13 residues pruned to eliminate duplicates Z: 20 22.450 2.056 0.333 0.929 0.947 0.895 CB 1.388 Z: 20 34.563 2.023 1.164 0.909 0.947 0.421 CB 1.358 20 residues pruned to eliminate duplicates Z: 59 36.694 2.056 0.769 0.551 0.931 0.534 CB 1.354 60 residues pruned to eliminate duplicates Z: 21 33.342 2.013 0.953 0.921 0.950 0.750 CA 1.404 21 residues pruned to eliminate duplicates Z: 21 35.103 2.025 0.980 0.917 1.000 0.500 CB 1.381 21 residues pruned to eliminate duplicates Z: 85 45.201 2.016 0.862 0.593 0.940 0.595 CB 1.278 43 residues pruned to eliminate duplicates Z: 20 32.824 2.089 0.876 0.924 0.947 0.895 CB 1.425 20 residues pruned to eliminate duplicates Z: 16 17.195 1.805 0.663 0.825 0.867 0.600 CB 1.288 Z: 29 18.508 1.958 0.794 0.451 1.000 0.714 CB 1.047 9 residues pruned to eliminate duplicates Z: 19 35.534 2.140 1.236 0.916 0.889 0.556 CB 1.391 19 residues pruned to eliminate duplicates Z: 20 32.268 2.087 0.828 0.910 0.895 0.895 CB 1.538 20 residues pruned to eliminate duplicates Z: 10 16.244 1.817 1.140 0.798 0.889 0.667 CB 1.207 Z: 16 17.882 2.030 0.590 0.871 0.933 0.867 CB 1.118 Z: 8 18.635 2.064 0.906 0.880 1.000 0.714 CA 1.297 8 residues pruned to eliminate duplicates Z: 10 15.993 1.771 0.684 0.882 1.000 0.889 CB 1.294 10 residues pruned to eliminate duplicates Z: 21 22.958 2.000 0.392 0.940 1.000 0.850 CB 1.281 21 residues pruned to eliminate duplicates Z: 11 18.614 1.908 0.875 0.850 1.000 0.800 CB 1.219 11 residues pruned to eliminate duplicates Z: 21 35.853 1.988 0.969 0.917 1.000 0.650 CB 1.446 21 residues pruned to eliminate duplicates Z: 9 13.395 1.998 0.386 0.751 1.000 0.625 CB 1.368 9 residues pruned to eliminate duplicates Z: 21 13.820 1.917 0.591 0.542 0.800 0.450 CB 1.215 22 residues pruned to eliminate duplicates Z: 14 14.661 1.827 0.671 0.857 0.846 0.615 CB 1.160 14 residues pruned to eliminate duplicates Z: 14 12.467 2.088 0.268 0.766 0.846 0.538 CB 1.220 Z: 17 14.876 1.955 0.439 0.860 0.875 0.875 CB 1.111 17 residues pruned to eliminate duplicates Z: 19 36.385 2.153 0.895 0.955 1.000 0.889 CB 1.445 19 residues pruned to eliminate duplicates Z: 14 19.244 1.947 0.744 0.791 0.923 0.538 CB 1.319 14 residues pruned to eliminate duplicates Z: 76 42.590 2.001 0.731 0.559 0.947 0.693 CB 1.416 26 residues pruned to eliminate duplicates Z: 21 36.815 2.020 1.001 0.926 1.000 0.850 CA 1.429 21 residues pruned to eliminate duplicates Z: 9 19.036 2.058 0.974 0.917 1.000 0.875 CB 1.169 9 residues pruned to eliminate duplicates Z: 11 17.307 1.900 0.924 0.698 1.000 0.800 CB 1.250 Z: 20 35.038 2.094 1.128 0.914 1.000 0.579 CB 1.276 20 residues pruned to eliminate duplicates Z: 29 18.915 1.982 0.960 0.449 0.964 0.679 CB 1.006 29 residues pruned to eliminate duplicates Z: 25 16.970 1.964 0.812 0.508 0.875 0.542 CB 1.103 25 residues pruned to eliminate duplicates Z: 20 24.641 2.035 0.539 0.916 0.947 0.895 CB 1.345 20 residues pruned to eliminate duplicates Z: 15 20.607 2.029 0.707 0.878 1.000 0.857 CB 1.155 Z: 24 16.213 1.988 0.555 0.520 0.957 0.652 CB 1.121 24 residues pruned to eliminate duplicates Z: 29 23.222 1.889 0.756 0.630 0.964 0.429 CB 1.213 15 residues pruned to eliminate duplicates Z: 17 16.926 1.702 0.725 0.900 1.000 0.812 CB 1.029 Z: 8 7.721 2.024 0.093 0.792 0.857 0.571 CA 1.191 8 residues pruned to eliminate duplicates Z: 21 22.114 1.975 0.469 0.913 0.900 0.750 CB 1.340 21 residues pruned to eliminate duplicates Z: 15 19.962 2.091 0.524 0.933 0.929 0.929 CB 1.259 16 residues pruned to eliminate duplicates Z: 24 20.440 2.022 0.944 0.529 0.957 0.652 CB 1.101 30 residues pruned to eliminate duplicates Z: 15 30.798 2.152 0.662 0.929 1.000 0.857 CB 1.609 15 residues pruned to eliminate duplicates Z: 9 26.134 2.089 0.853 0.928 1.000 1.000 CA 1.671 9 residues pruned to eliminate duplicates Z: 10 5.808 1.691 0.320 0.815 0.889 0.556 CB 0.742 10 residues pruned to eliminate duplicates Z: 10 20.368 2.107 0.733 0.918 1.000 0.778 CB 1.311 10 residues pruned to eliminate duplicates Z: 11 9.905 1.762 0.653 0.591 0.800 0.600 CB 1.232 11 residues pruned to eliminate duplicates Z: 20 36.559 2.050 0.921 0.931 1.000 0.789 CB 1.488 20 residues pruned to eliminate duplicates Z: 9 23.032 2.008 0.907 0.874 1.000 0.750 CA 1.548 9 residues pruned to eliminate duplicates Z: 20 24.186 2.064 0.460 0.927 0.947 0.842 CB 1.362 20 residues pruned to eliminate duplicates Z: 15 29.569 2.133 0.813 0.866 0.929 0.714 CB 1.611 15 residues pruned to eliminate duplicates Z: 9 7.996 1.817 0.091 0.799 1.000 0.875 CB 1.098 9 residues pruned to eliminate duplicates Z: 9 24.204 2.080 0.812 0.905 1.000 0.875 CB 1.616 9 residues pruned to eliminate duplicates Z: 16 24.596 2.031 0.658 0.891 0.933 0.800 CA 1.452 16 residues pruned to eliminate duplicates Z: 15 30.341 2.129 0.830 0.899 0.929 0.714 CB 1.602 15 residues pruned to eliminate duplicates Z: 9 15.244 1.880 1.271 0.819 0.750 0.750 CB 1.276 Z: 62 38.096 2.052 0.665 0.607 0.902 0.689 CB 1.431 62 residues pruned to eliminate duplicates Z: 9 14.531 1.979 0.625 0.840 1.000 0.750 CB 1.193 9 residues pruned to eliminate duplicates Z: 8 11.053 1.915 0.747 0.834 0.857 0.429 CB 1.092 Z: 8 13.987 2.073 0.902 0.838 0.857 0.857 CA 1.169 8 residues pruned to eliminate duplicates Z: 85 46.281 2.041 0.926 0.584 0.893 0.583 CB 1.327 86 residues pruned to eliminate duplicates Z: 10 13.072 2.059 0.509 0.820 0.778 0.444 CB 1.366 10 residues pruned to eliminate duplicates Z: 20 37.344 2.107 0.973 0.933 0.947 0.842 CA 1.518 20 residues pruned to eliminate duplicates Z: 8 23.191 2.003 1.171 0.885 1.000 0.857 CB 1.455 9 residues pruned to eliminate duplicates Z: 15 26.988 2.157 0.579 0.918 0.929 0.929 CA 1.608 15 residues pruned to eliminate duplicates Z: 14 15.027 1.789 0.641 0.899 1.000 0.923 CB 1.015 Z: 15 19.026 2.082 0.563 0.912 0.929 0.857 CB 1.193 15 residues pruned to eliminate duplicates Z: 12 16.616 1.967 0.844 0.548 1.000 0.909 CB 1.318 12 residues pruned to eliminate duplicates Z: 16 12.434 1.834 0.529 0.483 0.933 0.467 CB 1.248 Z: 23 30.016 1.945 0.801 0.856 0.955 0.773 CA 1.412 20 residues pruned to eliminate duplicates Z: 15 28.499 2.141 0.566 0.895 1.000 0.786 CA 1.628 15 residues pruned to eliminate duplicates Z: 15 21.076 1.901 1.004 0.850 0.857 0.429 CB 1.278 15 residues pruned to eliminate duplicates Z: 74 35.574 1.989 0.729 0.548 0.932 0.589 CB 1.240 76 residues pruned to eliminate duplicates Z: 7 7.578 1.809 0.358 0.820 1.000 1.000 CB 0.954 Z: 13 9.720 1.818 0.116 0.786 0.917 0.583 CB 1.173 7 residues pruned to eliminate duplicates Z: 14 15.503 1.806 0.818 0.808 0.923 0.538 CB 1.085 14 residues pruned to eliminate duplicates Z: 15 21.596 2.101 0.652 0.894 0.929 0.929 CB 1.285 15 residues pruned to eliminate duplicates Z: 6 4.626 1.859 0.441 0.701 0.800 0.800 CB 0.804 6 residues pruned to eliminate duplicates Z: 19 32.630 2.123 0.889 0.928 1.000 0.722 CB 1.343 19 residues pruned to eliminate duplicates Z: 76 44.934 2.060 0.719 0.610 0.920 0.653 CB 1.435 73 residues pruned to eliminate duplicates Z: 15 13.120 1.595 0.514 0.825 0.929 0.500 CB 1.180 Z: 13 13.665 1.922 0.626 0.836 0.833 0.583 CB 1.134 13 residues pruned to eliminate duplicates Z: 15 16.001 2.086 0.341 0.900 0.929 0.857 CB 1.176 15 residues pruned to eliminate duplicates Z: 18 35.151 2.106 1.031 0.938 1.000 0.647 CB 1.386 18 residues pruned to eliminate duplicates Z: 20 32.714 2.062 0.947 0.914 0.895 0.684 CB 1.477 20 residues pruned to eliminate duplicates Z: 8 10.128 1.936 0.618 0.624 0.857 0.857 CB 1.268 Z: 10 22.516 1.917 0.840 0.899 1.000 0.889 CB 1.520 11 residues pruned to eliminate duplicates Z: 11 16.252 2.045 0.600 0.913 0.900 0.800 CA 1.235 11 residues pruned to eliminate duplicates Z: 15 24.358 2.142 0.644 0.876 0.857 0.714 CA 1.567 15 residues pruned to eliminate duplicates Z: 10 8.691 1.636 0.502 0.829 0.889 0.667 CB 0.998 10 residues pruned to eliminate duplicates Z: 13 10.749 1.762 0.554 0.761 0.833 0.500 CB 1.079 13 residues pruned to eliminate duplicates Z: 24 19.138 2.033 0.808 0.590 0.870 0.739 CB 1.146 24 residues pruned to eliminate duplicates Z: 9 10.876 2.066 0.552 0.921 1.000 0.750 CB 0.844 9 residues pruned to eliminate duplicates Z: 8 9.752 1.793 0.287 0.876 1.000 1.000 CB 1.161 8 residues pruned to eliminate duplicates Z: 8 22.307 2.101 0.810 0.900 1.000 0.857 CB 1.585 9 residues pruned to eliminate duplicates Z: 9 11.097 1.817 0.756 0.905 1.000 0.750 CB 0.875 Z: 29 18.249 1.820 0.786 0.600 0.893 0.607 CB 1.080 20 residues pruned to eliminate duplicates Z: 9 8.520 1.846 0.520 0.594 0.875 0.500 CB 1.122 9 residues pruned to eliminate duplicates Z: 18 12.659 1.834 0.644 0.494 0.824 0.765 CB 1.244 18 residues pruned to eliminate duplicates Z: 20 29.841 2.051 0.904 0.886 0.947 0.632 CB 1.335 20 residues pruned to eliminate duplicates Z: 19 34.107 2.026 1.053 0.923 0.944 0.611 CB 1.439 19 residues pruned to eliminate duplicates Z: 36 31.309 2.063 0.892 0.711 0.914 0.600 CB 1.225 20 residues pruned to eliminate duplicates Z: 15 15.628 1.889 0.448 0.849 0.929 0.286 CB 1.219 14 residues pruned to eliminate duplicates Z: 8 6.512 1.582 0.576 0.732 0.857 0.714 CB 0.935 Z: 20 39.902 2.041 1.195 0.933 0.947 0.789 CB 1.505 23 residues pruned to eliminate duplicates Z: 11 11.938 1.901 0.421 0.814 0.900 0.600 CB 1.182 11 residues pruned to eliminate duplicates Z: 8 8.949 1.923 0.337 0.796 0.857 0.714 CB 1.184 8 residues pruned to eliminate duplicates Z: 9 21.925 1.868 1.271 0.883 1.000 0.750 CB 1.322 9 residues pruned to eliminate duplicates Z: 20 35.177 2.128 0.947 0.943 1.000 0.895 CB 1.350 20 residues pruned to eliminate duplicates Z: 9 19.333 1.830 0.710 0.869 1.000 0.875 CB 1.596 9 residues pruned to eliminate duplicates Z: 10 14.940 1.825 0.728 0.805 1.000 0.778 CA 1.211 Z: 9 20.166 1.938 0.842 0.888 1.000 0.750 CA 1.438 9 residues pruned to eliminate duplicates Z: 10 13.722 1.902 0.621 0.785 0.889 0.778 CA 1.298 9 residues pruned to eliminate duplicates Z: 10 13.420 1.971 1.394 0.626 0.889 0.667 CB 0.947 Z: 13 16.048 2.076 0.539 0.900 0.917 0.750 CB 1.129 13 residues pruned to eliminate duplicates Z: 21 22.563 1.982 0.382 0.915 0.950 0.850 CA 1.370 21 residues pruned to eliminate duplicates Z: 13 12.558 1.797 0.521 0.774 0.917 0.500 CB 1.136 13 residues pruned to eliminate duplicates Z: 50 30.572 2.008 0.738 0.542 0.939 0.653 CB 1.279 51 residues pruned to eliminate duplicates Z: 9 11.195 2.075 0.308 0.877 1.000 0.625 CB 1.059 9 residues pruned to eliminate duplicates Z: 10 18.444 1.943 0.711 0.811 1.000 0.778 CA 1.411 10 residues pruned to eliminate duplicates Z: 20 29.664 2.082 0.890 0.932 0.947 0.737 CB 1.276 20 residues pruned to eliminate duplicates Z: 16 13.776 1.959 0.302 0.808 0.867 0.400 CB 1.230 13 residues pruned to eliminate duplicates Z: 10 17.468 2.091 0.755 0.808 0.889 0.556 CA 1.365 10 residues pruned to eliminate duplicates Z: 19 13.615 1.931 0.664 0.534 0.778 0.556 CB 1.242 3 residues pruned to eliminate duplicates Z: 19 39.065 2.084 1.203 0.924 1.000 0.667 CB 1.409 19 residues pruned to eliminate duplicates Z: 19 39.299 2.128 0.960 0.938 1.000 0.944 CB 1.545 19 residues pruned to eliminate duplicates Z: 23 18.671 2.032 0.887 0.535 0.864 0.682 CB 1.162 23 residues pruned to eliminate duplicates Z: 17 36.050 2.131 0.996 0.945 1.000 0.625 CB 1.466 17 residues pruned to eliminate duplicates Z: 10 11.374 1.916 0.839 0.643 0.778 0.667 CB 1.211 10 residues pruned to eliminate duplicates Z: 24 18.004 1.989 0.895 0.489 0.957 0.522 CB 1.053 24 residues pruned to eliminate duplicates Z: 57 33.190 2.014 0.768 0.567 0.911 0.554 CB 1.282 35 residues pruned to eliminate duplicates Z: 9 24.737 2.058 0.869 0.904 1.000 0.875 CA 1.619 9 residues pruned to eliminate duplicates Z: 9 18.410 1.977 0.741 0.917 1.000 0.750 CB 1.334 9 residues pruned to eliminate duplicates Z: 18 14.691 1.616 0.630 0.909 0.941 0.882 CB 1.020 Z: 9 10.661 1.923 0.644 0.728 0.750 0.500 CB 1.295 7 residues pruned to eliminate duplicates Z: 16 24.625 2.058 0.607 0.850 0.933 0.733 CB 1.525 16 residues pruned to eliminate duplicates Z: 17 14.371 1.653 0.713 0.906 0.938 0.625 CB 0.963 Z: 13 13.268 1.786 0.656 0.727 0.833 0.583 CB 1.267 13 residues pruned to eliminate duplicates Z: 11 16.752 1.850 0.946 0.696 1.000 0.800 CB 1.231 11 residues pruned to eliminate duplicates Z: 19 35.318 2.146 0.927 0.927 1.000 0.722 CB 1.411 19 residues pruned to eliminate duplicates Z: 9 18.984 1.872 1.059 0.864 1.000 0.750 CB 1.276 9 residues pruned to eliminate duplicates Z: 17 14.265 1.678 0.442 0.879 1.000 0.812 CB 1.069 17 residues pruned to eliminate duplicates Z: 9 6.912 1.717 0.249 0.768 0.750 0.500 CA 1.198 Z: 9 18.624 2.059 0.850 0.907 1.000 0.750 CA 1.228 9 residues pruned to eliminate duplicates Z: 30 21.448 1.930 0.640 0.612 0.897 0.448 CB 1.262 14 residues pruned to eliminate duplicates Z: 16 21.335 2.042 0.420 0.900 0.933 0.867 CA 1.454 16 residues pruned to eliminate duplicates Z: 8 18.786 2.101 0.901 0.820 1.000 0.714 CB 1.347 9 residues pruned to eliminate duplicates Z: 7 8.056 1.532 0.487 0.662 1.000 0.500 CB 1.243 Z: 26 19.025 1.975 0.475 0.684 0.880 0.480 CB 1.254 23 residues pruned to eliminate duplicates Z: 13 15.093 1.961 0.562 0.754 1.000 0.500 CB 1.134 13 residues pruned to eliminate duplicates Z: 16 19.306 1.739 0.693 0.914 1.000 0.800 CB 1.197 16 residues pruned to eliminate duplicates Z: 36 17.495 1.869 0.790 0.556 0.857 0.457 CB 0.977 35 residues pruned to eliminate duplicates Z: 15 20.496 2.058 0.509 0.880 1.000 0.786 CB 1.278 14 residues pruned to eliminate duplicates Z: 63 40.844 2.050 0.703 0.593 0.952 0.629 CB 1.428 42 residues pruned to eliminate duplicates Z: 9 22.425 2.074 0.671 0.889 1.000 1.000 CA 1.647 9 residues pruned to eliminate duplicates Z: 21 32.687 2.196 1.012 0.622 1.000 0.700 CA 1.475 27 residues pruned to eliminate duplicates Z: 20 33.741 2.097 1.162 0.855 0.947 0.526 CB 1.330 20 residues pruned to eliminate duplicates Z: 9 13.179 1.860 0.578 0.803 1.000 0.750 CB 1.218 9 residues pruned to eliminate duplicates Z: 17 14.667 1.666 0.500 0.913 1.000 0.875 CB 1.039 17 residues pruned to eliminate duplicates Z: 20 29.646 2.050 0.677 0.942 0.947 0.895 CA 1.448 20 residues pruned to eliminate duplicates Z: 17 16.156 2.011 0.946 0.427 0.938 0.562 CB 1.188 17 residues pruned to eliminate duplicates Z: 20 37.329 2.066 1.078 0.910 1.000 0.684 CB 1.415 20 residues pruned to eliminate duplicates Z: 19 32.687 2.097 0.986 0.941 0.889 0.722 CB 1.444 19 residues pruned to eliminate duplicates Z: 11 12.385 2.075 0.433 0.831 0.800 0.500 CB 1.237 11 residues pruned to eliminate duplicates Z: 12 8.683 1.823 -0.005 0.722 1.000 0.636 CB 1.181 12 residues pruned to eliminate duplicates Z: 17 15.830 1.650 0.837 0.894 1.000 0.812 CB 0.937 14 residues pruned to eliminate duplicates Z: 19 24.723 2.098 0.361 0.933 1.000 0.833 CB 1.425 19 residues pruned to eliminate duplicates Z: 19 32.036 2.152 0.739 0.932 1.000 0.833 CB 1.409 19 residues pruned to eliminate duplicates Z: 23 18.280 1.991 0.496 0.692 0.909 0.545 CB 1.207 23 residues pruned to eliminate duplicates Z: 32 32.043 1.985 0.910 0.700 0.935 0.645 CB 1.352 32 residues pruned to eliminate duplicates Z: 123 55.631 2.041 0.845 0.583 0.951 0.639 CB 1.299 88 residues pruned to eliminate duplicates Z: 20 37.053 2.087 1.003 0.936 1.000 0.737 CB 1.416 20 residues pruned to eliminate duplicates Z: 9 14.528 1.943 0.696 0.812 1.000 0.750 CB 1.188 9 residues pruned to eliminate duplicates Z: 9 13.103 1.961 0.287 0.852 1.000 0.875 CB 1.358 9 residues pruned to eliminate duplicates Z: 121 51.547 2.030 0.797 0.555 0.933 0.583 CB 1.310 78 residues pruned to eliminate duplicates Z: 9 9.593 1.829 0.521 0.823 1.000 0.625 CB 0.922 9 residues pruned to eliminate duplicates Z: 20 24.647 2.102 0.416 0.909 0.947 0.789 CB 1.424 20 residues pruned to eliminate duplicates Z: 17 17.949 1.695 0.895 0.917 1.000 0.938 CB 0.986 17 residues pruned to eliminate duplicates Z: 14 12.296 1.920 0.335 0.729 1.000 0.615 CB 1.083 14 residues pruned to eliminate duplicates Z: 9 20.574 2.076 0.497 0.914 1.000 0.625 CB 1.655 8 residues pruned to eliminate duplicates Z: 22 13.991 1.890 0.384 0.570 0.857 0.381 CB 1.273 22 residues pruned to eliminate duplicates Z: 20 32.099 2.102 0.653 0.941 1.000 0.895 CB 1.471 20 residues pruned to eliminate duplicates Z: 11 11.979 1.855 0.797 0.726 0.800 0.800 CB 1.158 11 residues pruned to eliminate duplicates Z: 11 19.641 1.984 0.908 0.780 1.000 0.500 CA 1.281 11 residues pruned to eliminate duplicates Z: 11 15.265 1.837 0.575 0.895 1.000 0.700 CB 1.196 11 residues pruned to eliminate duplicates Z: 10 12.045 1.924 0.383 0.866 0.889 0.667 CB 1.242 10 residues pruned to eliminate duplicates Z: 39 30.835 2.089 0.648 0.615 0.974 0.553 CB 1.339 39 residues pruned to eliminate duplicates Z: 48 30.079 2.048 0.702 0.564 0.915 0.468 CB 1.293 48 residues pruned to eliminate duplicates Z: 25 16.132 1.842 0.557 0.644 0.875 0.292 CB 1.147 25 residues pruned to eliminate duplicates Z: 21 26.588 1.978 0.640 0.893 1.000 0.700 CB 1.315 21 residues pruned to eliminate duplicates Z: 16 17.594 2.028 0.545 0.903 0.933 0.733 CB 1.107 16 residues pruned to eliminate duplicates Z: 9 9.543 1.810 0.511 0.862 1.000 0.750 CB 0.906 9 residues pruned to eliminate duplicates Z: 33 20.884 1.907 0.781 0.554 0.906 0.500 CB 1.139 32 residues pruned to eliminate duplicates Z: 10 11.385 1.831 0.445 0.690 1.000 0.778 CB 1.206 9 residues pruned to eliminate duplicates Z: 33 32.632 2.042 0.836 0.694 0.906 0.656 CB 1.423 33 residues pruned to eliminate duplicates Z: 15 6.390 1.663 0.318 0.371 0.786 0.429 CB 1.140 15 residues pruned to eliminate duplicates Z: 9 15.250 1.920 0.881 0.867 1.000 0.625 CB 1.093 9 residues pruned to eliminate duplicates Z: 8 12.442 1.990 0.555 0.782 1.000 0.571 CB 1.185 8 residues pruned to eliminate duplicates Z: 14 11.032 1.834 0.371 0.685 1.000 0.615 CB 1.027 14 residues pruned to eliminate duplicates Z: 19 37.223 2.124 0.895 0.949 1.000 0.500 CB 1.505 19 residues pruned to eliminate duplicates Z: 6 5.153 2.050 0.122 0.836 1.000 0.600 CB 0.750 6 residues pruned to eliminate duplicates Z: 27 16.621 1.815 0.671 0.594 0.846 0.500 CB 1.162 27 residues pruned to eliminate duplicates Z: 108 47.137 2.052 0.728 0.545 0.944 0.495 CB 1.303 108 residues pruned to eliminate duplicates Z: 94 50.604 2.091 0.825 0.564 0.957 0.613 CB 1.351 94 residues pruned to eliminate duplicates Z: 15 21.677 1.989 0.588 0.935 0.857 0.500 CA 1.492 15 residues pruned to eliminate duplicates Z: 16 18.024 2.027 0.483 0.854 0.933 0.867 CB 1.225 16 residues pruned to eliminate duplicates Z: 20 31.170 2.058 0.761 0.924 1.000 0.895 CB 1.386 20 residues pruned to eliminate duplicates Z: 9 20.803 2.003 0.766 0.912 1.000 1.000 CA 1.473 9 residues pruned to eliminate duplicates Z: 20 33.521 2.124 0.883 0.945 0.947 0.789 CB 1.405 20 residues pruned to eliminate duplicates Z: 6 9.885 1.902 0.182 0.805 1.000 1.000 CA 1.507 6 residues pruned to eliminate duplicates Z: 36 31.394 2.153 0.781 0.597 0.943 0.543 CB 1.338 25 residues pruned to eliminate duplicates Z: 55 34.087 2.032 0.675 0.625 0.963 0.667 CB 1.258 55 residues pruned to eliminate duplicates Z: 6 7.918 1.886 0.424 0.719 0.800 0.600 CA 1.353 6 residues pruned to eliminate duplicates Z: 19 20.582 2.000 0.767 0.468 0.944 0.500 CA 1.502 19 residues pruned to eliminate duplicates Z: 9 19.014 1.978 0.796 0.920 1.000 1.000 CB 1.333 9 residues pruned to eliminate duplicates Z: 8 22.511 2.006 1.149 0.851 1.000 0.857 CB 1.460 8 residues pruned to eliminate duplicates Z: 9 19.083 2.048 0.456 0.911 1.000 1.000 CA 1.604 9 residues pruned to eliminate duplicates Z: 9 11.114 1.923 0.594 0.797 0.875 0.625 CB 1.129 9 residues pruned to eliminate duplicates Z: 107 51.492 2.055 0.817 0.567 0.962 0.585 CB 1.305 107 residues pruned to eliminate duplicates Z: 8 8.890 1.750 0.291 0.790 0.857 0.714 CB 1.344 8 residues pruned to eliminate duplicates Z: 17 16.437 1.697 0.714 0.885 1.000 0.562 CB 1.020 17 residues pruned to eliminate duplicates Z: 19 36.784 2.106 0.966 0.911 1.000 0.556 CB 1.484 19 residues pruned to eliminate duplicates Z: 20 32.729 2.047 1.070 0.925 1.000 0.632 CB 1.243 20 residues pruned to eliminate duplicates Z: 28 25.702 1.968 0.578 0.658 1.000 0.519 CB 1.376 27 residues pruned to eliminate duplicates Z: 9 13.843 1.967 0.560 0.873 1.000 1.000 CB 1.161 9 residues pruned to eliminate duplicates Z: 17 16.885 1.687 0.687 0.893 1.000 0.562 CB 1.065 17 residues pruned to eliminate duplicates Z: 6 9.659 2.154 0.454 0.815 1.000 0.800 CB 1.049 6 residues pruned to eliminate duplicates Z: 32 27.832 2.028 0.837 0.632 0.968 0.645 CB 1.225 32 residues pruned to eliminate duplicates Z: 9 23.284 1.939 1.159 0.885 1.000 0.625 CB 1.419 9 residues pruned to eliminate duplicates Z: 9 8.458 1.738 0.493 0.714 0.875 0.375 CB 1.085 9 residues pruned to eliminate duplicates Z: 53 28.719 1.941 0.808 0.512 0.865 0.654 CB 1.296 53 residues pruned to eliminate duplicates Z: 6 9.837 1.849 0.567 0.842 1.000 1.000 CA 1.132 6 residues pruned to eliminate duplicates Z: 15 25.265 2.086 0.741 0.895 0.857 0.786 CA 1.555 15 residues pruned to eliminate duplicates Z: 17 14.963 1.687 0.579 0.897 1.000 0.875 CB 1.005 17 residues pruned to eliminate duplicates Z: 27 27.016 2.089 0.854 0.545 0.923 0.615 CB 1.418 27 residues pruned to eliminate duplicates Z: 15 15.677 1.946 0.662 0.810 0.786 0.429 CB 1.259 15 residues pruned to eliminate duplicates Z: 8 7.154 1.443 0.284 0.827 1.000 0.857 CA 1.100 8 residues pruned to eliminate duplicates Z: 12 10.694 1.884 0.531 0.718 0.727 0.364 CB 1.262 12 residues pruned to eliminate duplicates Z: 48 36.951 2.133 0.698 0.664 0.851 0.638 CB 1.502 48 residues pruned to eliminate duplicates Z: 64 36.113 1.997 0.670 0.590 0.889 0.635 CB 1.408 64 residues pruned to eliminate duplicates Z: 27 15.895 1.927 0.454 0.571 0.808 0.462 CB 1.286 27 residues pruned to eliminate duplicates Z: 9 2.861 1.616 0.525 0.425 0.625 0.375 CB 0.711 9 residues pruned to eliminate duplicates Z: 10 23.850 1.959 0.788 0.903 1.000 0.667 CA 1.618 10 residues pruned to eliminate duplicates Z: 10 12.798 1.714 0.728 0.811 1.000 0.667 CA 1.098 10 residues pruned to eliminate duplicates Z: 8 12.510 1.980 0.422 0.559 1.000 1.000 CB 1.586 8 residues pruned to eliminate duplicates Z: 113 51.454 2.042 0.771 0.569 0.964 0.661 CB 1.304 109 residues pruned to eliminate duplicates Z: 16 22.721 2.030 0.813 0.921 0.933 0.733 CB 1.202 16 residues pruned to eliminate duplicates Z: 62 36.117 2.034 0.714 0.604 0.951 0.639 CB 1.264 62 residues pruned to eliminate duplicates Z: 6 6.522 1.531 0.179 0.820 1.000 0.800 CA 1.224 Z: 19 30.751 2.129 0.832 0.930 1.000 0.778 CB 1.300 19 residues pruned to eliminate duplicates Z: 9 11.791 1.898 1.201 0.673 0.875 0.750 CB 0.972 Z: 16 9.768 1.905 0.561 0.434 0.867 0.600 CB 1.047 16 residues pruned to eliminate duplicates Z: 39 36.635 2.164 0.934 0.584 0.974 0.553 CB 1.346 40 residues pruned to eliminate duplicates Z: 21 23.595 2.026 0.502 0.884 0.950 0.800 CB 1.319 21 residues pruned to eliminate duplicates Z: 23 16.831 1.901 0.574 0.603 0.864 0.455 CB 1.258 23 residues pruned to eliminate duplicates Z: 20 29.878 2.037 0.850 0.883 1.000 0.526 CB 1.315 20 residues pruned to eliminate duplicates Z: 61 42.829 2.096 0.734 0.617 0.950 0.667 CB 1.433 61 residues pruned to eliminate duplicates Z: 8 10.631 2.075 0.833 0.805 0.714 0.429 CB 1.133 8 residues pruned to eliminate duplicates Z: 26 36.767 2.069 0.885 0.786 1.000 0.760 CB 1.466 30 residues pruned to eliminate duplicates Z: 16 13.613 1.995 0.226 0.891 0.933 0.733 CB 1.106 16 residues pruned to eliminate duplicates Z: 17 32.848 2.191 1.024 0.944 0.938 0.562 CB 1.368 17 residues pruned to eliminate duplicates Z: 123 51.443 2.049 0.763 0.567 0.918 0.607 CB 1.317 123 residues pruned to eliminate duplicates Z: 15 32.724 2.129 0.800 0.939 1.000 0.857 CA 1.586 15 residues pruned to eliminate duplicates Z: 9 16.007 1.969 0.657 0.836 1.000 0.875 CB 1.299 9 residues pruned to eliminate duplicates Z: 10 22.794 1.983 0.684 0.919 1.000 0.667 CA 1.603 10 residues pruned to eliminate duplicates Z: 15 23.306 2.098 0.859 0.926 0.929 0.786 CB 1.206 15 residues pruned to eliminate duplicates Z: 15 20.143 1.992 0.821 0.910 0.929 0.786 CB 1.133 15 residues pruned to eliminate duplicates Z: 16 17.618 2.006 0.695 0.878 0.933 0.733 CB 1.040 16 residues pruned to eliminate duplicates Z: 51 31.348 2.022 0.695 0.594 0.920 0.640 CB 1.286 51 residues pruned to eliminate duplicates Z: 107 49.344 2.062 0.786 0.567 0.925 0.660 CB 1.319 107 residues pruned to eliminate duplicates Z: 17 13.889 1.667 0.438 0.901 1.000 0.688 CB 1.035 18 residues pruned to eliminate duplicates Z: 88 40.451 2.004 0.694 0.539 0.885 0.598 CB 1.388 88 residues pruned to eliminate duplicates Z: 8 8.432 1.606 0.391 0.738 1.000 0.857 CA 1.152 Z: 7 4.574 1.584 0.410 0.785 0.667 0.667 C 0.976 7 residues pruned to eliminate duplicates Z: 9 10.064 1.808 0.655 0.782 0.875 0.500 CA 1.060 9 residues pruned to eliminate duplicates Z: 8 7.394 1.734 1.047 0.622 0.857 0.857 CB 0.819 Z: 8 9.346 1.648 0.783 0.575 1.000 0.857 CB 1.119 4 residues pruned to eliminate duplicates Z: 11 18.272 1.886 1.015 0.679 1.000 0.600 CB 1.289 Z: 9 16.716 1.944 1.027 0.764 0.875 0.750 CA 1.356 9 residues pruned to eliminate duplicates Z: 10 17.581 2.070 0.629 0.865 0.889 0.667 CA 1.432 10 residues pruned to eliminate duplicates Z: 30 29.805 2.090 0.727 0.619 0.966 0.724 CB 1.419 30 residues pruned to eliminate duplicates Z: 23 16.981 2.025 0.793 0.498 0.818 0.636 CB 1.221 23 residues pruned to eliminate duplicates Z: 10 16.083 2.021 0.599 0.831 0.889 0.556 CB 1.402 10 residues pruned to eliminate duplicates Z: 30 17.371 1.868 0.354 0.642 0.897 0.552 CB 1.246 30 residues pruned to eliminate duplicates Z: 10 13.371 1.863 0.318 0.887 1.000 0.778 CB 1.309 10 residues pruned to eliminate duplicates Z: 12 15.474 1.870 0.683 0.891 1.000 0.818 CB 1.066 12 residues pruned to eliminate duplicates Z: 8 14.815 2.003 0.873 0.886 0.857 0.714 CA 1.256 8 residues pruned to eliminate duplicates Z: 29 19.129 1.903 0.749 0.654 0.929 0.714 CB 1.013 29 residues pruned to eliminate duplicates Z: 8 10.331 2.030 0.588 0.818 1.000 0.857 CB 0.919 8 residues pruned to eliminate duplicates Z: 17 17.051 1.716 0.659 0.919 1.000 0.750 CB 1.055 17 residues pruned to eliminate duplicates Z: 111 52.911 2.038 0.859 0.545 0.973 0.573 CB 1.311 112 residues pruned to eliminate duplicates Z: 14 14.315 2.046 0.431 0.850 0.923 0.615 CB 1.088 14 residues pruned to eliminate duplicates Z: 10 14.367 1.994 0.634 0.795 0.889 0.889 CB 1.277 10 residues pruned to eliminate duplicates Z: 25 15.912 1.994 0.370 0.595 0.875 0.500 CB 1.241 25 residues pruned to eliminate duplicates Z: 10 12.472 1.992 0.290 0.880 1.000 0.556 CB 1.172 9 residues pruned to eliminate duplicates Z: 20 37.399 2.130 1.141 0.939 0.947 0.737 CB 1.380 20 residues pruned to eliminate duplicates Z: 6 6.649 1.663 0.284 0.859 1.000 0.800 CB 1.025 6 residues pruned to eliminate duplicates Z: 9 17.788 1.967 0.894 0.859 0.875 0.750 CB 1.420 9 residues pruned to eliminate duplicates Z: 9 10.251 1.865 0.579 0.799 1.000 0.625 CB 0.948 9 residues pruned to eliminate duplicates Z: 72 40.829 2.055 0.867 0.615 0.887 0.577 CB 1.276 72 residues pruned to eliminate duplicates Z: 9 9.815 1.763 0.577 0.891 0.875 0.750 CB 1.025 9 residues pruned to eliminate duplicates Z: 40 29.981 2.043 0.843 0.535 0.897 0.590 CB 1.372 40 residues pruned to eliminate duplicates Z: 6 7.029 1.919 0.517 0.776 0.800 0.800 CA 1.058 6 residues pruned to eliminate duplicates Z: 25 19.524 1.961 0.829 0.568 0.917 0.667 CB 1.135 23 residues pruned to eliminate duplicates Z: 78 46.543 2.032 0.747 0.590 0.961 0.714 CB 1.426 78 residues pruned to eliminate duplicates Z: 155 58.540 2.028 0.817 0.553 0.935 0.649 CB 1.300 155 residues pruned to eliminate duplicates Z: 15 27.582 2.196 0.891 0.702 1.000 0.571 CA 1.477 15 residues pruned to eliminate duplicates Z: 70 42.472 2.065 0.837 0.614 0.913 0.565 CB 1.325 70 residues pruned to eliminate duplicates Z: 19 31.203 2.072 0.978 0.894 0.944 0.500 CB 1.363 19 residues pruned to eliminate duplicates Z: 13 10.403 1.909 0.553 0.484 1.000 0.750 CB 1.029 13 residues pruned to eliminate duplicates Z: 29 26.555 2.054 0.883 0.692 0.929 0.786 CB 1.172 29 residues pruned to eliminate duplicates Z: 45 32.131 2.031 0.644 0.568 0.932 0.636 CB 1.458 45 residues pruned to eliminate duplicates Z: 14 10.984 1.883 0.419 0.743 0.923 0.385 CB 0.994 14 residues pruned to eliminate duplicates Z: 9 15.880 1.938 1.456 0.613 1.000 0.750 CB 1.059 9 residues pruned to eliminate duplicates Z: 24 20.153 2.021 0.842 0.541 0.957 0.652 CB 1.134 25 residues pruned to eliminate duplicates Z: 14 27.484 2.126 0.665 0.934 0.923 0.923 CA 1.627 14 residues pruned to eliminate duplicates Z: 27 19.413 1.909 0.756 0.626 0.885 0.615 CB 1.141 27 residues pruned to eliminate duplicates Z: 20 24.996 1.999 0.624 0.887 1.000 0.789 CB 1.273 20 residues pruned to eliminate duplicates Z: 12 6.527 2.072 0.364 0.510 0.727 0.727 CB 0.948 12 residues pruned to eliminate duplicates Z: 17 18.181 1.954 0.393 0.896 1.000 0.812 CB 1.196 17 residues pruned to eliminate duplicates Z: 7 5.038 1.415 0.472 0.776 0.833 0.833 CB 0.928 Z: 6 8.102 1.913 0.497 0.702 0.800 0.400 CB 1.315 6 residues pruned to eliminate duplicates Z: 16 14.039 2.007 0.504 0.856 0.800 0.533 CB 1.107 16 residues pruned to eliminate duplicates Z: 90 51.709 2.075 0.961 0.575 0.944 0.584 CB 1.327 90 residues pruned to eliminate duplicates Z: 18 37.530 2.153 1.163 0.915 1.000 0.706 CB 1.382 18 residues pruned to eliminate duplicates Z: 9 18.368 1.981 0.601 0.879 1.000 0.875 CB 1.485 9 residues pruned to eliminate duplicates Z: 58 34.345 2.067 0.707 0.552 0.912 0.561 CB 1.344 58 residues pruned to eliminate duplicates Z: 14 7.825 1.764 0.452 0.330 0.769 0.308 CA 1.327 14 residues pruned to eliminate duplicates Z: 17 13.916 1.690 0.394 0.895 1.000 0.688 CB 1.059 17 residues pruned to eliminate duplicates Z: 7 2.414 1.516 0.146 0.499 0.500 0.500 CB 1.136 7 residues pruned to eliminate duplicates Z: 9 16.009 1.963 1.265 0.621 1.000 0.750 CB 1.135 10 residues pruned to eliminate duplicates Z: 6 4.610 1.659 -0.072 0.782 1.000 0.800 CB 1.044 Z: 20 30.857 2.048 0.712 0.925 1.000 0.895 CB 1.417 20 residues pruned to eliminate duplicates Z: 12 15.638 1.970 0.813 0.590 1.000 0.818 CB 1.211 12 residues pruned to eliminate duplicates Z: 64 35.604 1.999 0.720 0.591 0.984 0.651 CB 1.216 64 residues pruned to eliminate duplicates Z: 9 18.800 1.980 0.857 0.867 1.000 0.750 CB 1.323 9 residues pruned to eliminate duplicates Z: 47 37.943 2.096 0.668 0.631 0.957 0.587 CB 1.478 47 residues pruned to eliminate duplicates Z: 7 9.384 1.611 0.786 0.771 0.833 0.333 CB 1.258 7 residues pruned to eliminate duplicates Z: 17 15.828 1.719 0.713 0.876 0.938 0.750 CB 1.042 17 residues pruned to eliminate duplicates Z: 9 12.418 1.769 0.673 0.827 1.000 0.750 CA 1.118 9 residues pruned to eliminate duplicates Z: 13 17.431 1.941 0.744 0.731 1.000 0.500 CB 1.208 16 residues pruned to eliminate duplicates Z: 58 39.891 2.063 0.611 0.612 0.947 0.667 CB 1.509 58 residues pruned to eliminate duplicates Z: 10 16.962 1.850 0.888 0.846 1.000 1.000 CA 1.202 10 residues pruned to eliminate duplicates Z: 55 40.751 2.048 0.880 0.594 0.926 0.574 CB 1.422 55 residues pruned to eliminate duplicates Z: 69 46.847 2.103 0.885 0.629 0.956 0.706 CB 1.328 68 residues pruned to eliminate duplicates Z: 17 14.791 1.695 0.582 0.929 1.000 1.000 CB 0.965 17 residues pruned to eliminate duplicates Z: 11 12.071 1.787 0.836 0.653 0.900 0.800 CB 1.121 11 residues pruned to eliminate duplicates Z: 13 11.659 1.746 1.025 0.614 0.833 0.583 CB 1.025 13 residues pruned to eliminate duplicates Z: 24 14.456 1.990 0.628 0.466 0.870 0.565 CB 1.107 24 residues pruned to eliminate duplicates Z: 20 28.298 1.999 0.645 0.904 1.000 0.737 CB 1.407 20 residues pruned to eliminate duplicates Z: 11 18.145 2.046 0.921 0.923 1.000 0.800 CB 1.026 11 residues pruned to eliminate duplicates Z: 10 3.310 1.599 0.103 0.555 0.778 0.667 CB 0.762 Z: 19 9.724 1.908 0.443 0.401 0.944 0.611 CB 0.979 14 residues pruned to eliminate duplicates Z: 6 8.937 1.765 0.651 0.711 1.000 0.600 CB 1.133 6 residues pruned to eliminate duplicates Z: 22 13.319 1.941 0.546 0.429 0.952 0.524 CB 1.095 22 residues pruned to eliminate duplicates Z: 9 11.874 1.786 0.676 0.902 1.000 0.875 CB 1.000 9 residues pruned to eliminate duplicates Z: 13 6.928 1.799 0.469 0.748 0.583 0.333 CB 1.039 13 residues pruned to eliminate duplicates Z: 47 38.609 2.068 0.807 0.722 0.957 0.696 CB 1.304 47 residues pruned to eliminate duplicates Z: 19 34.016 2.108 0.852 0.924 1.000 0.556 CB 1.442 19 residues pruned to eliminate duplicates Z: 10 13.341 1.858 0.576 0.653 1.000 0.889 CB 1.317 10 residues pruned to eliminate duplicates Z: 9 12.050 2.007 0.420 0.771 0.875 0.375 CB 1.345 9 residues pruned to eliminate duplicates Z: 17 14.519 1.685 0.632 0.895 1.000 0.750 CB 0.947 17 residues pruned to eliminate duplicates Z: 8 11.345 1.920 0.663 0.773 0.857 0.429 CB 1.231 8 residues pruned to eliminate duplicates Z: 65 51.480 2.137 1.009 0.658 0.969 0.688 CB 1.337 65 residues pruned to eliminate duplicates Z: 6 4.779 1.972 0.957 0.284 0.600 0.200 CB 1.177 6 residues pruned to eliminate duplicates Z: 9 10.876 1.737 0.776 0.742 0.750 0.375 CB 1.339 9 residues pruned to eliminate duplicates Z: 12 15.032 1.952 0.749 0.464 1.000 0.545 CA 1.376 12 residues pruned to eliminate duplicates Z: 21 29.367 1.991 0.849 0.895 0.950 0.700 CB 1.347 21 residues pruned to eliminate duplicates Z: 17 22.122 1.988 0.685 0.826 1.000 0.750 CB 1.245 17 residues pruned to eliminate duplicates Z: 40 30.762 2.038 0.772 0.627 1.000 0.692 CB 1.210 40 residues pruned to eliminate duplicates Z: 51 37.966 2.068 0.812 0.618 0.920 0.580 CB 1.393 51 residues pruned to eliminate duplicates Z: 19 37.332 2.146 1.019 0.922 0.944 0.611 CB 1.512 19 residues pruned to eliminate duplicates Z: 6 4.713 1.260 0.678 0.830 1.000 1.000 N 0.750 6 residues pruned to eliminate duplicates Z: 10 10.201 1.856 0.651 0.470 0.889 0.667 CB 1.287 10 residues pruned to eliminate duplicates Z: 13 14.110 1.986 0.556 0.712 0.917 0.667 CB 1.186 13 residues pruned to eliminate duplicates Z: 6 6.236 1.874 0.306 0.633 0.800 0.800 CB 1.257 6 residues pruned to eliminate duplicates Z: 40 35.744 2.152 0.984 0.577 0.949 0.615 CB 1.312 40 residues pruned to eliminate duplicates Z: 6 7.630 1.589 0.713 0.778 0.800 0.600 C 1.226 6 residues pruned to eliminate duplicates Z: 8 9.950 1.761 0.493 0.817 0.857 0.571 CB 1.267 8 residues pruned to eliminate duplicates Z: 122 54.836 2.048 0.769 0.574 0.967 0.603 CB 1.325 122 residues pruned to eliminate duplicates Z: 26 19.120 1.900 0.740 0.480 0.960 0.560 CB 1.230 26 residues pruned to eliminate duplicates Z: 7 4.384 1.416 0.301 0.526 1.000 0.167 N 0.947 Z: 23 11.617 1.821 0.652 0.366 0.818 0.500 CB 1.162 23 residues pruned to eliminate duplicates Z: 17 14.368 1.627 0.503 0.916 1.000 0.875 CB 1.037 17 residues pruned to eliminate duplicates Z: 94 51.179 2.061 0.847 0.576 0.968 0.634 CB 1.340 94 residues pruned to eliminate duplicates Z: 8 5.341 1.670 0.023 0.811 0.857 0.714 CB 1.052 8 residues pruned to eliminate duplicates Z: 12 14.909 2.043 0.517 0.896 1.000 0.545 CB 1.039 12 residues pruned to eliminate duplicates Z: 15 7.396 1.764 0.585 0.682 0.786 0.429 CB 0.762 15 residues pruned to eliminate duplicates Z: 8 13.033 1.901 0.814 0.871 0.857 0.286 CB 1.215 8 residues pruned to eliminate duplicates Z: 15 18.595 1.837 0.719 0.825 0.929 0.500 CB 1.280 15 residues pruned to eliminate duplicates Z: 7 6.168 1.493 0.487 0.692 1.000 0.667 CB 0.951 Z: 9 12.933 1.881 0.574 0.845 1.000 0.750 CA 1.148 9 residues pruned to eliminate duplicates Z: 21 13.372 1.972 0.506 0.384 0.900 0.500 CB 1.266 21 residues pruned to eliminate duplicates Z: 9 7.883 1.741 0.399 0.690 0.750 0.500 CA 1.282 9 residues pruned to eliminate duplicates Z: 26 21.428 2.088 0.670 0.551 0.840 0.680 CB 1.392 26 residues pruned to eliminate duplicates Z: 16 15.167 2.011 0.586 0.844 0.933 0.733 CB 0.979 16 residues pruned to eliminate duplicates Z: 56 43.137 2.073 0.737 0.607 0.982 0.636 CB 1.486 54 residues pruned to eliminate duplicates Z: 9 11.738 1.803 0.604 0.901 1.000 1.000 CB 1.024 9 residues pruned to eliminate duplicates Z: 13 15.486 1.753 0.797 0.708 1.000 0.750 CB 1.175 8 residues pruned to eliminate duplicates Z: 16 16.491 2.020 0.529 0.889 0.933 0.667 CB 1.064 16 residues pruned to eliminate duplicates Z: 53 29.171 1.978 0.787 0.492 0.923 0.500 CB 1.250 53 residues pruned to eliminate duplicates Z: 31 20.748 1.928 0.576 0.657 0.867 0.533 CB 1.243 31 residues pruned to eliminate duplicates Z: 17 15.693 1.710 0.685 0.914 1.000 1.000 CB 0.963 17 residues pruned to eliminate duplicates Z: 51 39.692 2.094 0.682 0.637 0.940 0.580 CB 1.492 51 residues pruned to eliminate duplicates Z: 12 7.287 1.710 0.062 0.810 0.818 0.455 CA 1.128 12 residues pruned to eliminate duplicates Z: 7 10.497 1.639 0.620 0.884 1.000 0.500 CB 1.166 7 residues pruned to eliminate duplicates Z: 124 53.062 2.039 0.821 0.562 0.919 0.585 CB 1.321 124 residues pruned to eliminate duplicates Z: 16 23.304 2.019 0.494 0.899 1.000 0.867 CA 1.425 16 residues pruned to eliminate duplicates Z: 21 18.639 1.982 0.598 0.535 0.950 0.650 CB 1.338 21 residues pruned to eliminate duplicates Z: 17 15.015 1.640 0.719 0.922 0.938 0.438 CB 0.999 17 residues pruned to eliminate duplicates Z: 9 11.439 1.832 0.802 0.775 0.750 0.750 CA 1.281 9 residues pruned to eliminate duplicates Z: 22 23.492 2.070 1.107 0.593 0.857 0.619 CB 1.255 22 residues pruned to eliminate duplicates Z: 9 8.179 1.658 0.457 0.833 0.875 0.750 CB 1.026 9 residues pruned to eliminate duplicates Z: 11 13.262 1.874 0.956 0.652 0.800 0.700 CB 1.241 11 residues pruned to eliminate duplicates Z: 11 11.244 1.825 0.891 0.814 0.700 0.600 CB 1.120 11 residues pruned to eliminate duplicates Z: 17 16.500 1.945 0.476 0.881 0.938 0.812 CB 1.109 17 residues pruned to eliminate duplicates Z: 8 19.191 1.985 0.919 0.862 1.000 0.714 CB 1.399 8 residues pruned to eliminate duplicates Z: 10 12.161 1.920 0.234 0.844 1.000 0.667 CB 1.273 10 residues pruned to eliminate duplicates Z: 9 11.159 1.783 0.628 0.815 0.875 0.625 CB 1.182 9 residues pruned to eliminate duplicates Z: 8 10.526 1.782 0.675 0.890 1.000 0.714 CB 0.959 8 residues pruned to eliminate duplicates Z: 7 4.256 1.725 0.357 0.359 1.000 0.667 CB 0.865 Z: 62 37.480 1.963 0.819 0.610 0.902 0.689 CB 1.343 62 residues pruned to eliminate duplicates Z: 29 23.408 1.978 0.810 0.661 0.893 0.607 CB 1.193 27 residues pruned to eliminate duplicates Z: 58 41.730 2.097 0.859 0.556 0.947 0.579 CB 1.417 58 residues pruned to eliminate duplicates Z: 67 36.130 1.971 0.812 0.578 0.970 0.576 CB 1.191 67 residues pruned to eliminate duplicates Z: 11 18.284 2.076 0.567 0.723 1.000 0.900 CB 1.453 11 residues pruned to eliminate duplicates Z: 21 28.574 1.968 0.813 0.929 0.950 0.750 CB 1.319 21 residues pruned to eliminate duplicates Z: 7 9.923 2.138 0.418 0.828 0.833 0.667 CB 1.208 7 residues pruned to eliminate duplicates Z: 40 31.334 2.062 0.849 0.490 0.974 0.513 CA 1.365 40 residues pruned to eliminate duplicates Z: 12 8.697 1.665 0.417 0.811 0.909 0.636 CB 0.933 12 residues pruned to eliminate duplicates Z: 76 48.198 2.057 0.725 0.616 0.973 0.707 CB 1.445 76 residues pruned to eliminate duplicates Z: 44 33.998 2.053 0.780 0.649 1.000 0.744 CB 1.235 44 residues pruned to eliminate duplicates Z: 11 7.737 1.582 0.507 0.581 0.800 0.800 CB 1.186 11 residues pruned to eliminate duplicates Z: 6 4.546 1.708 0.610 0.708 0.800 0.400 CA 0.765 6 residues pruned to eliminate duplicates Z: 8 7.798 1.630 0.600 0.803 0.714 0.571 CB 1.214 8 residues pruned to eliminate duplicates Z: 6 7.214 1.801 0.314 0.770 1.000 1.000 CA 1.074 6 residues pruned to eliminate duplicates Z: 7 17.036 2.107 0.681 0.837 1.000 0.833 CB 1.470 7 residues pruned to eliminate duplicates Z: 36 22.975 1.974 0.774 0.573 0.857 0.629 CB 1.206 36 residues pruned to eliminate duplicates Z: 60 37.884 2.050 0.725 0.573 0.932 0.610 CB 1.395 60 residues pruned to eliminate duplicates Z: 6 4.730 1.215 0.913 0.723 0.800 0.600 N 0.930 Z: 16 12.223 1.937 0.533 0.496 0.867 0.533 CB 1.232 16 residues pruned to eliminate duplicates Z: 9 6.888 1.456 0.576 0.426 1.000 0.625 C 1.146 9 residues pruned to eliminate duplicates Z: 8 10.290 1.618 0.831 0.778 1.000 0.429 CB 1.027 8 residues pruned to eliminate duplicates Z: 135 59.344 2.049 0.770 0.575 0.940 0.642 CB 1.398 135 residues pruned to eliminate duplicates Z: 8 3.976 1.631 -0.040 0.675 0.857 0.714 CB 0.953 6 residues pruned to eliminate duplicates Z: 20 36.030 2.019 1.207 0.951 0.947 0.632 CB 1.350 20 residues pruned to eliminate duplicates Z: 17 17.718 1.721 0.810 0.932 1.000 0.812 CB 0.993 17 residues pruned to eliminate duplicates Z: 50 34.356 1.960 0.811 0.612 0.959 0.653 CB 1.296 50 residues pruned to eliminate duplicates Z: 20 33.819 2.021 1.084 0.938 0.947 0.789 CB 1.352 20 residues pruned to eliminate duplicates Z: 18 21.313 2.012 0.848 0.571 1.000 0.588 CB 1.297 18 residues pruned to eliminate duplicates Z: 10 3.524 1.581 0.092 0.403 0.778 0.667 CB 0.968 Z: 30 16.040 1.915 0.523 0.392 0.897 0.345 CB 1.277 30 residues pruned to eliminate duplicates Z: 7 8.571 1.636 0.552 0.663 1.000 0.833 CB 1.185 Z: 16 24.982 2.055 0.806 0.917 0.933 0.800 CB 1.313 16 residues pruned to eliminate duplicates Z: 30 21.354 1.931 0.596 0.435 0.897 0.448 CB 1.535 30 residues pruned to eliminate duplicates Z: 91 46.475 2.071 0.741 0.632 0.922 0.611 CB 1.301 93 residues pruned to eliminate duplicates Z: 122 53.702 2.026 0.839 0.570 0.926 0.554 CB 1.323 122 residues pruned to eliminate duplicates Z: 18 13.722 1.829 0.321 0.803 0.824 0.471 CA 1.284 18 residues pruned to eliminate duplicates Z: 36 23.992 1.908 0.951 0.438 0.943 0.686 CB 1.233 36 residues pruned to eliminate duplicates Z: 10 7.844 1.638 0.342 0.851 0.889 0.667 CA 0.991 10 residues pruned to eliminate duplicates Z: 61 40.062 2.071 0.883 0.540 0.950 0.567 CB 1.343 61 residues pruned to eliminate duplicates Z: 8 15.915 2.086 0.846 0.750 1.000 0.714 CB 1.250 8 residues pruned to eliminate duplicates Z: 9 7.992 1.730 0.554 0.740 1.000 0.875 CB 0.847 Z: 22 25.174 2.089 0.882 0.584 0.952 0.571 CB 1.353 22 residues pruned to eliminate duplicates Z: 100 41.636 2.014 0.702 0.528 0.919 0.455 CB 1.291 100 residues pruned to eliminate duplicates Z: 10 10.598 1.852 0.516 0.661 0.889 0.889 CB 1.219 10 residues pruned to eliminate duplicates Z: 147 70.508 2.088 0.855 0.615 0.966 0.705 CB 1.400 147 residues pruned to eliminate duplicates Z: 7 7.032 2.025 0.363 0.838 1.000 1.000 CB 0.777 7 residues pruned to eliminate duplicates Z: 8 4.904 1.551 -0.040 0.836 1.000 0.857 CB 0.932 8 residues pruned to eliminate duplicates Z: 14 8.865 1.840 0.379 0.571 0.846 0.538 CB 1.069 14 residues pruned to eliminate duplicates Z: 9 13.250 1.826 0.507 0.834 1.000 0.625 CA 1.276 9 residues pruned to eliminate duplicates Z: 22 15.531 1.879 0.423 0.577 0.905 0.381 CB 1.301 22 residues pruned to eliminate duplicates Z: 6 9.306 1.727 0.338 0.836 1.000 0.800 CB 1.348 6 residues pruned to eliminate duplicates Z: 15 17.091 1.808 0.723 0.904 1.000 0.714 CB 1.044 15 residues pruned to eliminate duplicates Z: 14 28.867 2.244 0.894 0.673 1.000 0.615 CA 1.606 14 residues pruned to eliminate duplicates Z: 13 18.439 1.861 1.022 0.671 0.917 0.750 CB 1.318 12 residues pruned to eliminate duplicates Z: 9 6.564 1.702 0.207 0.310 1.000 0.750 CA 1.394 9 residues pruned to eliminate duplicates Z: 18 26.950 2.124 0.538 0.944 1.000 0.941 CB 1.386 18 residues pruned to eliminate duplicates Z: 7 11.648 1.763 1.009 0.745 0.833 0.500 O 1.294 7 residues pruned to eliminate duplicates Z: 8 7.786 1.862 0.073 0.851 1.000 0.857 CB 1.091 8 residues pruned to eliminate duplicates Z: 14 3.431 1.443 0.031 0.355 0.923 0.462 CB 0.811 Z: 14 23.397 2.058 0.961 0.623 0.923 0.692 CB 1.552 14 residues pruned to eliminate duplicates Z: 21 24.644 2.127 0.730 0.646 1.000 0.700 CB 1.307 21 residues pruned to eliminate duplicates Z: 20 29.727 2.014 1.101 0.911 0.895 0.526 CB 1.277 20 residues pruned to eliminate duplicates Z: 17 16.777 1.644 0.588 0.926 1.000 0.625 CB 1.127 17 residues pruned to eliminate duplicates Z: 47 28.855 1.997 0.788 0.629 0.935 0.609 CB 1.129 47 residues pruned to eliminate duplicates Z: 9 9.393 1.629 0.500 0.783 0.875 0.625 CA 1.210 9 residues pruned to eliminate duplicates Z: 16 26.560 2.056 0.543 0.915 1.000 0.933 CB 1.529 16 residues pruned to eliminate duplicates Z: 13 7.788 1.591 0.487 0.782 0.833 0.750 CB 0.889 13 residues pruned to eliminate duplicates Z: 10 10.005 1.598 0.550 0.725 0.889 0.444 CB 1.236 10 residues pruned to eliminate duplicates Z: 9 12.604 1.675 0.758 0.885 1.000 0.625 CB 1.093 9 residues pruned to eliminate duplicates Z: 18 12.948 1.858 0.215 0.904 0.941 0.882 CB 1.053 18 residues pruned to eliminate duplicates Z: 19 26.082 2.094 0.683 0.894 0.944 0.722 CB 1.325 19 residues pruned to eliminate duplicates Z: 11 9.507 1.942 0.666 0.648 0.700 0.500 CA 1.156 11 residues pruned to eliminate duplicates Z: 18 15.159 1.631 0.771 0.901 1.000 0.824 CB 0.908 18 residues pruned to eliminate duplicates Z: 128 54.816 1.996 0.742 0.619 0.961 0.591 CB 1.302 128 residues pruned to eliminate duplicates Z: 16 14.353 1.700 0.286 0.909 1.000 0.867 CB 1.203 16 residues pruned to eliminate duplicates Z: 6 5.007 1.755 0.033 0.672 0.800 0.200 CA 1.318 6 residues pruned to eliminate duplicates Z: 11 18.055 1.862 1.043 0.733 1.000 0.800 CB 1.217 11 residues pruned to eliminate duplicates Z: 11 15.762 1.856 1.167 0.622 0.900 0.600 CB 1.228 11 residues pruned to eliminate duplicates Z: 7 13.625 1.852 0.718 0.752 1.000 0.500 CB 1.397 7 residues pruned to eliminate duplicates Z: 47 40.027 2.107 0.958 0.543 0.957 0.717 CB 1.434 47 residues pruned to eliminate duplicates Z: 23 18.879 2.036 0.414 0.707 0.955 0.591 CB 1.213 23 residues pruned to eliminate duplicates Z: 41 34.341 2.130 0.877 0.598 0.975 0.650 CB 1.269 41 residues pruned to eliminate duplicates Z: 8 4.538 1.512 0.437 0.608 0.857 0.429 CB 0.831 7 residues pruned to eliminate duplicates Z: 115 50.025 2.037 0.777 0.568 0.947 0.649 CB 1.280 115 residues pruned to eliminate duplicates Z: 16 10.148 1.599 0.491 0.869 0.800 0.800 CB 1.003 17 residues pruned to eliminate duplicates Z: 15 11.990 1.748 0.594 0.757 0.929 0.429 CB 0.986 15 residues pruned to eliminate duplicates Z: 24 35.686 2.047 1.015 0.814 1.000 0.609 CB 1.373 24 residues pruned to eliminate duplicates Z: 54 38.038 2.011 0.778 0.625 0.981 0.736 CB 1.324 54 residues pruned to eliminate duplicates Z: 45 31.191 2.010 0.803 0.511 0.955 0.750 CB 1.344 45 residues pruned to eliminate duplicates Z: 6 5.369 1.359 0.956 0.556 0.800 0.600 CA 1.070 6 residues pruned to eliminate duplicates Z: 10 4.456 1.451 0.368 0.480 0.889 0.667 CB 0.859 Z: 15 18.664 2.027 0.416 0.892 1.000 0.571 CB 1.248 15 residues pruned to eliminate duplicates Z: 29 12.378 1.640 0.632 0.683 0.893 0.536 CB 0.827 29 residues pruned to eliminate duplicates Z: 34 19.129 1.920 0.516 0.576 0.848 0.485 CB 1.253 34 residues pruned to eliminate duplicates Z: 7 2.675 1.739 -0.148 0.803 0.833 0.833 CB 0.679 7 residues pruned to eliminate duplicates Z: 119 55.534 2.088 0.772 0.589 0.966 0.593 CB 1.314 119 residues pruned to eliminate duplicates Z: 8 11.015 1.815 0.773 0.819 0.714 0.571 CA 1.373 8 residues pruned to eliminate duplicates Z: 12 14.688 1.907 0.817 0.900 1.000 0.818 CB 0.913 12 residues pruned to eliminate duplicates Z: 8 3.987 1.573 -0.063 0.565 0.857 0.714 CB 1.120 Z: 6 2.172 1.106 0.374 0.764 0.600 0.600 O 0.843 6 residues pruned to eliminate duplicates Z: 39 34.452 2.120 0.879 0.608 0.974 0.632 CB 1.300 39 residues pruned to eliminate duplicates Z: 41 20.681 1.918 0.765 0.447 0.825 0.550 CB 1.237 41 residues pruned to eliminate duplicates Z: 8 20.180 2.199 0.760 0.863 1.000 0.429 CA 1.446 8 residues pruned to eliminate duplicates Z: 15 25.680 2.013 0.729 0.892 0.929 0.643 CB 1.525 15 residues pruned to eliminate duplicates Z: 17 9.940 1.915 0.324 0.478 0.875 0.500 CB 1.146 17 residues pruned to eliminate duplicates Z: 14 14.680 1.713 0.802 0.625 1.000 0.692 CB 1.173 14 residues pruned to eliminate duplicates Z: 9 9.097 1.604 0.418 0.857 0.875 0.625 CA 1.191 9 residues pruned to eliminate duplicates Z: 33 21.298 1.978 0.680 0.606 0.875 0.531 CB 1.171 33 residues pruned to eliminate duplicates Z: 10 17.163 1.893 0.869 0.714 1.000 0.889 CB 1.332 10 residues pruned to eliminate duplicates Z: 16 40.968 2.162 1.236 0.953 1.000 0.467 CB 1.506 16 residues pruned to eliminate duplicates Z: 9 12.683 1.894 0.825 0.698 0.875 0.625 CB 1.239 9 residues pruned to eliminate duplicates Z: 7 7.172 1.731 0.294 0.820 1.000 1.000 CB 0.990 7 residues pruned to eliminate duplicates Z: 26 37.363 2.199 1.104 0.624 0.960 0.720 CB 1.496 26 residues pruned to eliminate duplicates Z: 6 5.745 1.927 0.167 0.849 1.000 1.000 CB 0.847 6 residues pruned to eliminate duplicates Z: 9 14.426 1.874 0.575 0.894 1.000 1.000 CA 1.240 9 residues pruned to eliminate duplicates Z: 56 32.285 1.943 0.741 0.651 0.909 0.582 CB 1.230 58 residues pruned to eliminate duplicates Z: 10 6.138 1.697 0.373 0.776 0.889 0.556 CB 0.774 10 residues pruned to eliminate duplicates Z: 19 34.062 2.112 0.992 0.931 0.944 0.833 CB 1.412 19 residues pruned to eliminate duplicates Z: 18 17.676 1.628 0.889 0.883 1.000 0.588 CB 1.009 17 residues pruned to eliminate duplicates Z: 9 9.303 1.742 1.085 0.584 0.875 0.750 CB 0.954 8 residues pruned to eliminate duplicates Z: 15 17.663 2.033 0.377 0.823 0.929 0.857 CA 1.372 15 residues pruned to eliminate duplicates Z: 18 15.607 1.650 0.686 0.898 1.000 0.824 CB 0.973 17 residues pruned to eliminate duplicates Z: 7 8.311 1.801 0.806 0.712 0.833 0.833 CA 1.033 7 residues pruned to eliminate duplicates Z: 25 36.277 2.062 0.997 0.783 0.958 0.667 CB 1.462 25 residues pruned to eliminate duplicates Z: 6 2.130 1.258 0.104 0.507 1.000 0.400 CB 0.681 Z: 12 14.107 1.967 0.543 0.548 1.000 0.636 CB 1.337 12 residues pruned to eliminate duplicates Z: 6 3.139 1.661 -0.406 0.692 1.000 0.800 CB 1.194 Z: 18 15.172 1.749 0.723 0.708 0.765 0.588 CB 1.321 18 residues pruned to eliminate duplicates Z: 43 30.942 2.066 0.729 0.576 0.929 0.643 CB 1.337 43 residues pruned to eliminate duplicates Z: 54 36.871 2.020 0.679 0.614 0.981 0.736 CB 1.367 54 residues pruned to eliminate duplicates Z: 16 22.128 2.005 0.860 0.902 0.933 0.733 CB 1.171 16 residues pruned to eliminate duplicates Z: 19 36.432 2.061 1.007 0.929 1.000 0.611 CB 1.452 19 residues pruned to eliminate duplicates Z: 16 14.123 1.690 0.380 0.885 1.000 0.733 CB 1.129 16 residues pruned to eliminate duplicates Z: 107 47.912 2.032 0.761 0.559 0.953 0.594 CB 1.289 107 residues pruned to eliminate duplicates Z: 17 15.790 1.949 0.439 0.567 0.938 0.500 CB 1.408 17 residues pruned to eliminate duplicates Z: 26 24.761 2.011 0.560 0.690 0.920 0.680 CB 1.441 26 residues pruned to eliminate duplicates Z: 16 13.417 1.664 0.413 0.886 1.000 0.800 CB 1.063 16 residues pruned to eliminate duplicates Z: 8 3.345 1.578 0.097 0.691 0.714 0.714 CB 0.859 8 residues pruned to eliminate duplicates Z: 7 2.837 1.568 -0.059 0.577 1.000 0.500 CB 0.729 5 residues pruned to eliminate duplicates Z: 9 4.924 1.658 0.244 0.575 0.875 0.625 CB 0.898 Z: 6 5.967 1.637 0.141 0.800 1.000 0.600 CA 1.098 6 residues pruned to eliminate duplicates Z: 12 17.162 2.022 0.842 0.496 1.000 0.818 CB 1.394 12 residues pruned to eliminate duplicates Z: 17 18.057 1.704 0.830 0.893 1.000 0.750 CB 1.040 17 residues pruned to eliminate duplicates Z: 9 14.054 1.949 1.144 0.649 1.000 0.750 CB 1.035 9 residues pruned to eliminate duplicates Z: 9 4.720 1.636 0.557 0.375 0.875 0.625 CB 0.856 Z: 15 21.979 2.038 0.429 0.887 1.000 0.929 CA 1.454 15 residues pruned to eliminate duplicates Z: 8 6.979 1.721 0.157 0.639 1.000 1.000 CB 1.163 8 residues pruned to eliminate duplicates Z: 11 16.159 1.836 0.957 0.668 0.900 0.800 CA 1.353 11 residues pruned to eliminate duplicates Z: 6 7.835 1.651 0.465 0.752 1.000 0.800 CB 1.157 Z: 21 17.048 2.037 0.834 0.511 0.900 0.700 CB 1.121 21 residues pruned to eliminate duplicates Z: 17 17.993 1.720 0.705 0.921 1.000 0.750 CB 1.079 17 residues pruned to eliminate duplicates Z: 90 51.455 2.078 0.829 0.572 0.966 0.618 CB 1.384 90 residues pruned to eliminate duplicates Z: 15 20.870 2.049 0.886 0.883 0.929 0.643 CB 1.124 15 residues pruned to eliminate duplicates Z: 17 17.100 1.959 0.513 0.869 0.875 0.688 CB 1.205 17 residues pruned to eliminate duplicates Z: 69 36.197 2.011 0.695 0.571 0.956 0.632 CB 1.258 69 residues pruned to eliminate duplicates Z: 7 3.934 1.668 0.491 0.329 0.833 0.667 CB 0.935 7 residues pruned to eliminate duplicates Z: 23 19.246 2.013 0.655 0.633 0.909 0.773 CB 1.195 23 residues pruned to eliminate duplicates Z: 7 12.098 2.065 0.929 0.657 0.833 0.667 CA 1.286 7 residues pruned to eliminate duplicates Z: 12 10.850 1.759 0.680 0.678 0.909 0.636 CB 1.033 12 residues pruned to eliminate duplicates Z: 41 26.008 1.970 0.783 0.501 0.875 0.450 CB 1.336 41 residues pruned to eliminate duplicates Z: 9 12.213 1.847 0.451 0.892 1.000 0.875 CA 1.157 9 residues pruned to eliminate duplicates Z: 8 3.540 1.504 0.186 0.847 0.857 0.714 CB 0.649 8 residues pruned to eliminate duplicates Z: 17 16.608 1.673 0.643 0.914 1.000 0.875 CB 1.068 17 residues pruned to eliminate duplicates Z: 43 35.697 2.121 0.981 0.582 0.952 0.667 CB 1.273 43 residues pruned to eliminate duplicates Z: 8 12.299 1.721 0.461 0.838 1.000 0.429 CB 1.381 8 residues pruned to eliminate duplicates Z: 10 6.590 1.578 0.234 0.803 0.889 0.444 CB 0.974 10 residues pruned to eliminate duplicates Z: 8 11.149 1.824 0.528 0.834 0.857 0.571 CB 1.323 8 residues pruned to eliminate duplicates Z: 10 8.203 1.804 0.556 0.900 0.889 0.556 CB 0.783 10 residues pruned to eliminate duplicates Z: 21 13.852 1.747 0.599 0.549 0.850 0.450 CB 1.243 21 residues pruned to eliminate duplicates Z: 6 9.051 1.817 0.425 0.858 1.000 0.600 CB 1.151 6 residues pruned to eliminate duplicates Z: 29 27.802 2.036 0.676 0.762 0.929 0.786 CB 1.314 26 residues pruned to eliminate duplicates Z: 6 10.879 1.659 0.729 0.732 1.000 0.600 CA 1.376 6 residues pruned to eliminate duplicates Z: 53 29.084 1.963 0.635 0.499 0.942 0.692 CB 1.336 53 residues pruned to eliminate duplicates Z: 51 26.342 1.855 0.701 0.470 0.920 0.680 CB 1.322 51 residues pruned to eliminate duplicates Z: 8 9.265 1.724 0.298 0.817 1.000 0.571 CA 1.188 8 residues pruned to eliminate duplicates Z: 12 19.497 2.029 0.790 0.715 1.000 0.727 CB 1.333 12 residues pruned to eliminate duplicates Z: 13 11.548 2.026 0.469 0.526 0.917 0.667 CB 1.192 13 residues pruned to eliminate duplicates Z: 15 16.473 2.015 0.541 0.899 1.000 0.714 CB 1.014 15 residues pruned to eliminate duplicates Z: 6 6.185 1.718 0.341 0.670 1.000 1.000 CB 1.026 6 residues pruned to eliminate duplicates Z: 23 39.521 2.069 1.085 0.824 1.000 0.773 CB 1.475 23 residues pruned to eliminate duplicates Z: 13 9.258 1.789 0.683 0.814 0.833 0.500 CB 0.810 13 residues pruned to eliminate duplicates Z: 17 13.284 1.687 0.433 0.902 1.000 0.875 CB 0.980 17 residues pruned to eliminate duplicates Z: 93 39.325 2.000 0.700 0.520 0.935 0.500 CB 1.264 93 residues pruned to eliminate duplicates Z: 16 16.459 2.018 0.156 0.886 1.000 0.933 CB 1.315 16 residues pruned to eliminate duplicates Z: 13 15.665 1.881 0.466 0.748 1.000 0.417 CB 1.314 13 residues pruned to eliminate duplicates Z: 37 32.220 2.038 0.783 0.579 1.000 0.639 CB 1.369 37 residues pruned to eliminate duplicates Z: 8 13.565 1.848 0.613 0.859 1.000 0.857 CB 1.266 8 residues pruned to eliminate duplicates Z: 6 10.843 1.878 0.618 0.786 1.000 0.600 CA 1.240 6 residues pruned to eliminate duplicates Z: 17 14.338 1.679 0.521 0.898 1.000 0.750 CB 1.004 17 residues pruned to eliminate duplicates Z: 46 25.957 1.922 0.610 0.620 0.889 0.644 CB 1.256 46 residues pruned to eliminate duplicates Z: 17 15.837 1.643 0.496 0.906 1.000 0.812 CB 1.146 18 residues pruned to eliminate duplicates Z: 26 28.864 2.116 0.949 0.492 0.960 0.560 CB 1.469 26 residues pruned to eliminate duplicates Z: 38 31.553 2.046 0.976 0.516 0.919 0.514 CB 1.375 38 residues pruned to eliminate duplicates Z: 23 16.963 1.830 0.579 0.564 0.909 0.545 CB 1.294 23 residues pruned to eliminate duplicates Z: 9 4.601 1.432 0.181 0.636 0.750 0.500 CB 1.129 8 residues pruned to eliminate duplicates Z: 13 6.399 1.527 0.385 0.639 0.833 0.333 CB 0.921 13 residues pruned to eliminate duplicates Z: 13 11.335 1.739 0.356 0.781 0.917 0.750 CB 1.182 13 residues pruned to eliminate duplicates Z: 18 16.329 1.640 0.738 0.925 1.000 0.647 CB 0.975 17 residues pruned to eliminate duplicates Z: 8 8.290 1.841 0.398 0.875 0.857 0.571 CB 1.033 8 residues pruned to eliminate duplicates Z: 9 8.051 1.902 0.643 0.503 0.875 0.875 CB 1.038 9 residues pruned to eliminate duplicates Z: 15 23.779 2.058 0.538 0.925 0.929 0.857 CB 1.516 15 residues pruned to eliminate duplicates Z: 7 6.864 1.686 0.385 0.837 1.000 0.833 CB 0.898 8 residues pruned to eliminate duplicates Z: 28 25.352 1.973 0.869 0.714 0.963 0.704 CB 1.131 28 residues pruned to eliminate duplicates Z: 58 44.361 2.096 0.976 0.682 0.912 0.649 CB 1.315 58 residues pruned to eliminate duplicates Z: 25 32.447 2.089 0.602 0.801 1.000 0.958 CB 1.521 25 residues pruned to eliminate duplicates Z: 13 11.942 1.987 0.932 0.560 0.833 0.583 CB 1.017 13 residues pruned to eliminate duplicates Z: 30 28.887 1.967 0.760 0.646 0.897 0.655 CB 1.508 30 residues pruned to eliminate duplicates Z: 76 40.215 2.021 0.726 0.610 0.893 0.627 CB 1.342 76 residues pruned to eliminate duplicates Z: 16 16.588 1.700 0.713 0.904 1.000 0.600 CB 1.048 16 residues pruned to eliminate duplicates Z: 32 38.242 2.060 1.080 0.697 0.935 0.581 CB 1.431 32 residues pruned to eliminate duplicates Z: 7 13.576 1.900 0.753 0.750 1.000 0.833 CB 1.332 7 residues pruned to eliminate duplicates Z: 6 6.826 1.581 0.649 0.752 1.000 0.800 CB 0.935 6 residues pruned to eliminate duplicates Z: 13 14.320 1.820 0.403 0.749 1.000 0.500 CB 1.296 13 residues pruned to eliminate duplicates Z: 9 5.456 1.618 0.389 0.803 0.750 0.625 CB 0.878 9 residues pruned to eliminate duplicates Z: 14 7.341 1.773 0.393 0.332 0.769 0.538 CB 1.288 14 residues pruned to eliminate duplicates Z: 8 6.871 1.775 0.232 0.785 0.857 0.857 CA 1.078 8 residues pruned to eliminate duplicates Z: 12 8.839 1.668 0.443 0.645 1.000 0.818 CB 0.968 12 residues pruned to eliminate duplicates Z: 9 6.498 1.582 0.507 0.795 0.750 0.750 CA 0.992 9 residues pruned to eliminate duplicates Z: 17 11.740 1.958 0.839 0.438 0.812 0.500 CB 1.070 17 residues pruned to eliminate duplicates Z: 12 8.831 1.658 0.106 0.810 0.909 0.727 CB 1.219 12 residues pruned to eliminate duplicates Z: 26 21.406 1.916 0.615 0.592 0.920 0.760 CB 1.378 26 residues pruned to eliminate duplicates Z: 28 17.486 1.918 0.453 0.558 0.889 0.407 CB 1.284 28 residues pruned to eliminate duplicates Z: 7 6.266 1.719 -0.017 0.859 1.000 1.000 CA 1.115 7 residues pruned to eliminate duplicates Z: 8 4.272 1.729 0.142 0.697 0.714 0.429 CB 0.957 8 residues pruned to eliminate duplicates Z: 6 2.996 1.154 0.343 0.623 1.000 0.600 C 0.769 Z: 60 32.611 1.990 0.823 0.554 0.932 0.559 CB 1.191 60 residues pruned to eliminate duplicates Z: 50 39.841 2.056 0.826 0.606 0.980 0.653 CB 1.399 50 residues pruned to eliminate duplicates Z: 15 17.934 1.820 0.711 0.908 1.000 0.786 CB 1.093 15 residues pruned to eliminate duplicates Z: 12 18.133 1.859 0.718 0.634 1.000 0.636 CB 1.509 12 residues pruned to eliminate duplicates Z: 31 15.839 1.918 0.731 0.454 0.933 0.567 CB 0.978 31 residues pruned to eliminate duplicates Z: 10 9.497 1.783 0.816 0.517 0.889 0.556 CB 1.082 10 residues pruned to eliminate duplicates Z: 20 39.001 2.099 1.068 0.922 0.947 0.684 CB 1.529 20 residues pruned to eliminate duplicates Z: 53 37.388 2.037 0.836 0.610 0.981 0.673 CB 1.274 53 residues pruned to eliminate duplicates Z: 44 29.243 1.890 0.695 0.551 0.907 0.651 CB 1.460 44 residues pruned to eliminate duplicates Z: 7 15.179 1.979 0.872 0.823 1.000 0.167 CB 1.264 7 residues pruned to eliminate duplicates Z: 9 10.471 1.747 0.363 0.839 1.000 1.000 CA 1.161 9 residues pruned to eliminate duplicates Z: 16 20.082 1.729 0.810 0.927 1.000 0.867 CB 1.161 16 residues pruned to eliminate duplicates Z: 19 17.149 1.807 0.986 0.434 0.944 0.667 CB 1.277 19 residues pruned to eliminate duplicates Z: 27 21.013 2.010 0.518 0.652 0.923 0.692 CB 1.270 27 residues pruned to eliminate duplicates Z: 11 12.379 1.828 0.597 0.818 0.800 0.200 CB 1.272 11 residues pruned to eliminate duplicates Z: 8 7.879 1.727 0.831 0.462 0.714 0.429 CB 1.371 8 residues pruned to eliminate duplicates Z: 10 15.828 1.920 0.833 0.825 0.889 0.667 CA 1.273 10 residues pruned to eliminate duplicates Z: 12 6.641 1.547 0.428 0.601 0.909 0.727 CB 0.906 12 residues pruned to eliminate duplicates Z: 83 47.866 2.066 0.852 0.604 0.927 0.659 CB 1.350 83 residues pruned to eliminate duplicates Z: 10 7.019 1.740 0.383 0.519 0.889 0.556 CB 1.074 10 residues pruned to eliminate duplicates Z: 33 13.451 1.922 0.673 0.392 0.875 0.531 CB 0.947 36 residues pruned to eliminate duplicates Z: 8 10.356 1.869 0.628 0.893 1.000 0.429 CB 0.923 8 residues pruned to eliminate duplicates Z: 34 28.984 1.995 0.947 0.561 0.970 0.636 CB 1.263 34 residues pruned to eliminate duplicates Z: 11 14.721 2.026 0.522 0.493 1.000 0.600 CB 1.521 11 residues pruned to eliminate duplicates Z: 14 12.682 1.779 0.751 0.687 0.846 0.462 CB 1.124 14 residues pruned to eliminate duplicates Z: 14 12.376 1.825 0.552 0.755 0.769 0.462 CB 1.255 14 residues pruned to eliminate duplicates Z: 62 39.926 2.034 0.744 0.570 0.934 0.689 CB 1.442 62 residues pruned to eliminate duplicates Z: 6 3.664 1.640 0.873 0.637 0.800 0.800 CB 0.586 Z: 6 4.059 1.679 -0.041 0.760 0.800 0.800 CA 1.118 6 residues pruned to eliminate duplicates Z: 15 16.976 2.047 0.573 0.888 0.857 0.571 CB 1.184 15 residues pruned to eliminate duplicates Z: 13 12.002 1.919 0.193 0.522 1.000 0.750 CA 1.481 13 residues pruned to eliminate duplicates Z: 18 23.221 2.092 1.005 0.585 0.941 0.647 CA 1.316 18 residues pruned to eliminate duplicates Z: 11 15.776 1.797 0.644 0.815 1.000 0.900 CB 1.284 11 residues pruned to eliminate duplicates Z: 64 29.214 1.917 0.723 0.561 0.905 0.619 CB 1.161 64 residues pruned to eliminate duplicates Z: 10 9.839 2.001 0.600 0.584 0.889 0.667 CB 1.063 10 residues pruned to eliminate duplicates Z: 7 3.433 1.495 0.532 0.327 0.833 0.500 CB 0.888 Z: 11 14.763 1.962 0.474 0.689 0.900 0.900 CA 1.509 11 residues pruned to eliminate duplicates Z: 12 15.094 1.681 0.879 0.683 1.000 0.545 CB 1.218 10 residues pruned to eliminate duplicates Z: 14 13.536 1.820 0.456 0.879 0.923 0.538 CB 1.113 14 residues pruned to eliminate duplicates Z: 7 9.398 1.704 0.265 0.765 1.000 0.500 CB 1.407 7 residues pruned to eliminate duplicates Z: 9 12.248 2.047 0.651 0.807 1.000 0.625 CB 0.980 9 residues pruned to eliminate duplicates Z: 9 3.154 1.373 0.072 0.302 1.000 0.375 CB 0.944 5 residues pruned to eliminate duplicates Z: 17 16.992 1.704 0.812 0.919 1.000 0.500 CB 0.969 17 residues pruned to eliminate duplicates Z: 12 20.980 2.071 0.895 0.620 1.000 0.727 CA 1.439 17 residues pruned to eliminate duplicates Z: 16 10.136 1.894 0.472 0.478 0.800 0.533 CB 1.200 16 residues pruned to eliminate duplicates Z: 7 5.811 1.643 0.538 0.651 0.833 0.667 CA 0.979 7 residues pruned to eliminate duplicates Z: 18 14.169 1.624 0.584 0.896 1.000 0.706 CB 0.957 18 residues pruned to eliminate duplicates Z: 8 5.636 1.624 0.179 0.826 0.857 0.857 CB 0.979 8 residues pruned to eliminate duplicates Z: 65 40.013 2.013 0.722 0.575 0.938 0.641 CB 1.432 65 residues pruned to eliminate duplicates Z: 21 16.500 1.818 0.838 0.480 0.850 0.400 CB 1.325 21 residues pruned to eliminate duplicates Z: 21 13.204 1.847 0.433 0.581 0.850 0.600 CB 1.214 21 residues pruned to eliminate duplicates Z: 26 20.975 1.732 0.823 0.612 0.920 0.720 CB 1.299 26 residues pruned to eliminate duplicates Z: 7 3.599 1.546 0.137 0.608 1.000 0.667 CA 0.754 7 residues pruned to eliminate duplicates Z: 106 55.262 2.069 0.859 0.577 0.981 0.600 CB 1.328 106 residues pruned to eliminate duplicates Z: 15 26.120 2.102 0.558 0.880 1.000 0.786 CA 1.544 15 residues pruned to eliminate duplicates Z: 18 11.583 1.578 0.273 0.901 0.941 0.824 CB 1.061 18 residues pruned to eliminate duplicates Z: 17 15.236 1.722 0.659 0.905 1.000 0.875 CB 0.948 17 residues pruned to eliminate duplicates Z: 11 22.148 2.114 1.035 0.608 1.000 0.700 CB 1.470 11 residues pruned to eliminate duplicates Z: 10 7.477 1.565 0.273 0.665 1.000 0.667 CB 1.074 7 residues pruned to eliminate duplicates Z: 12 6.533 1.540 0.053 0.791 0.909 0.545 CB 1.034 12 residues pruned to eliminate duplicates Z: 16 13.901 1.674 0.337 0.922 1.000 0.867 CB 1.127 16 residues pruned to eliminate duplicates Z: 7 5.232 1.768 0.394 0.653 0.667 0.667 CB 1.127 7 residues pruned to eliminate duplicates Z: 15 11.988 1.768 0.707 0.823 0.714 0.500 CB 1.124 15 residues pruned to eliminate duplicates Z: 15 16.136 1.965 0.479 0.799 0.929 0.357 CB 1.231 15 residues pruned to eliminate duplicates Z: 35 25.335 2.019 0.732 0.624 0.882 0.706 CB 1.252 35 residues pruned to eliminate duplicates Z: 13 13.290 2.004 0.288 0.528 0.917 0.750 CB 1.577 13 residues pruned to eliminate duplicates Z: 22 27.752 1.994 0.663 0.837 1.000 0.810 CB 1.366 22 residues pruned to eliminate duplicates Z: 6 2.969 1.463 0.229 0.377 0.800 0.600 N 1.053 6 residues pruned to eliminate duplicates Z: 74 45.499 2.101 0.938 0.609 0.932 0.644 CB 1.266 74 residues pruned to eliminate duplicates Z: 6 3.756 1.570 -0.089 0.721 1.000 1.000 CB 0.962 Z: 16 12.485 1.694 0.623 0.514 0.867 0.667 CB 1.334 16 residues pruned to eliminate duplicates Z: 19 11.319 1.772 0.680 0.487 0.833 0.556 CB 1.090 19 residues pruned to eliminate duplicates Z: 12 17.254 2.023 0.787 0.604 0.909 0.545 CA 1.435 12 residues pruned to eliminate duplicates Z: 9 11.407 1.892 0.447 0.679 1.000 0.750 CB 1.249 9 residues pruned to eliminate duplicates Z: 28 27.716 2.057 0.839 0.643 1.000 0.667 CB 1.234 28 residues pruned to eliminate duplicates Z: 9 5.301 1.806 0.492 0.820 0.750 0.625 CB 0.703 9 residues pruned to eliminate duplicates Z: 43 28.181 2.011 0.751 0.592 0.976 0.667 CB 1.159 43 residues pruned to eliminate duplicates Z: 66 49.355 2.126 0.995 0.646 0.938 0.631 CB 1.341 66 residues pruned to eliminate duplicates Z: 8 3.683 1.446 0.243 0.281 0.857 0.429 CB 1.156 Z: 15 6.845 1.742 0.404 0.433 0.857 0.643 CB 0.936 15 residues pruned to eliminate duplicates Z: 10 5.198 1.617 0.253 0.830 0.778 0.444 CB 0.827 10 residues pruned to eliminate duplicates Z: 32 23.349 1.904 0.528 0.598 0.903 0.710 CB 1.454 32 residues pruned to eliminate duplicates Z: 6 9.097 1.934 0.397 0.855 0.800 0.800 CB 1.389 6 residues pruned to eliminate duplicates Z: 11 9.084 1.591 0.464 0.826 0.800 0.600 CB 1.162 11 residues pruned to eliminate duplicates Z: 47 24.675 1.996 0.611 0.594 0.848 0.543 CB 1.220 47 residues pruned to eliminate duplicates Z: 9 10.920 1.747 0.884 0.880 1.000 0.625 CB 0.850 9 residues pruned to eliminate duplicates Z: 8 8.188 1.674 0.391 0.775 1.000 0.429 CB 1.042 8 residues pruned to eliminate duplicates Z: 8 10.208 1.809 0.483 0.748 0.857 0.571 CB 1.344 8 residues pruned to eliminate duplicates Z: 17 15.147 1.672 0.489 0.923 1.000 0.875 CB 1.069 17 residues pruned to eliminate duplicates Z: 7 11.926 2.000 0.679 0.576 1.000 0.667 CA 1.347 7 residues pruned to eliminate duplicates Z: 8 8.204 1.453 0.724 0.726 1.000 0.429 CB 1.009 7 residues pruned to eliminate duplicates Z: 6 2.591 1.441 0.581 0.295 0.600 0.400 C 1.067 Z: 10 7.448 1.682 0.435 0.584 0.778 0.667 CB 1.220 10 residues pruned to eliminate duplicates Z: 20 29.578 1.999 0.899 0.886 0.947 0.684 CB 1.362 20 residues pruned to eliminate duplicates Z: 29 26.885 1.995 0.638 0.649 0.929 0.714 CA 1.456 29 residues pruned to eliminate duplicates Z: 7 4.623 1.533 0.254 0.346 1.000 0.667 CA 1.160 Z: 10 10.489 1.731 0.490 0.873 1.000 0.889 CB 0.987 10 residues pruned to eliminate duplicates Z: 6 5.964 1.576 0.446 0.796 1.000 0.800 CB 0.903 6 residues pruned to eliminate duplicates Z: 17 15.158 1.721 0.728 0.903 1.000 0.562 CB 0.909 17 residues pruned to eliminate duplicates Z: 8 9.661 1.807 0.760 0.516 1.000 0.714 CB 1.130 8 residues pruned to eliminate duplicates Z: 6 4.371 1.586 0.661 0.506 0.800 0.600 CB 0.922 Z: 23 21.166 2.060 0.734 0.613 0.864 0.545 CB 1.314 23 residues pruned to eliminate duplicates Z: 13 13.121 1.800 0.750 0.557 1.000 0.667 CB 1.138 13 residues pruned to eliminate duplicates Z: 10 13.430 1.934 0.627 0.841 0.889 0.667 CB 1.194 10 residues pruned to eliminate duplicates Z: 11 12.448 2.006 0.658 0.593 0.900 0.800 CB 1.203 11 residues pruned to eliminate duplicates Z: 10 14.675 1.957 0.435 0.856 1.000 0.444 CB 1.284 10 residues pruned to eliminate duplicates Z: 25 39.251 2.062 0.899 0.811 1.000 0.833 CA 1.561 26 residues pruned to eliminate duplicates Z: 22 24.061 1.960 0.834 0.522 1.000 0.429 CB 1.429 22 residues pruned to eliminate duplicates Z: 39 34.439 2.085 0.946 0.527 1.000 0.579 CB 1.341 39 residues pruned to eliminate duplicates Z: 27 19.863 1.866 0.447 0.774 0.962 0.923 CB 1.178 27 residues pruned to eliminate duplicates Z: 15 9.066 1.953 0.304 0.551 0.786 0.357 CB 1.152 15 residues pruned to eliminate duplicates Z: 20 34.734 1.976 1.331 0.894 0.947 0.684 CB 1.310 20 residues pruned to eliminate duplicates Z: 7 6.606 1.880 -0.119 0.819 1.000 0.833 CB 1.234 7 residues pruned to eliminate duplicates Z: 9 10.383 1.839 0.355 0.772 1.000 0.875 CA 1.159 9 residues pruned to eliminate duplicates 957 residues left after pruning, divided into chains as follows: A: 30 B: 8 C: 11 D: 23 E: 10 F: 189 G: 11 H: 38 I: 7 J: 17 K: 16 L: 34 M: 85 N: 100 O: 157 P: 18 Q: 18 R: 9 S: 8 T: 10 U: 158 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 34.46 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.377, Connect. = 0.719 for dens.mod. cycle 1 = 0.300, Contrast = 0.462, Connect. = 0.763 for dens.mod. cycle 2 = 0.300, Contrast = 0.527, Connect. = 0.780 for dens.mod. cycle 3 = 0.300, Contrast = 0.542, Connect. = 0.783 for dens.mod. cycle 4 = 0.300, Contrast = 0.553, Connect. = 0.786 for dens.mod. cycle 5 = 0.300, Contrast = 0.560, Connect. = 0.787 for dens.mod. cycle 6 = 0.300, Contrast = 0.566, Connect. = 0.789 for dens.mod. cycle 7 = 0.300, Contrast = 0.571, Connect. = 0.789 for dens.mod. cycle 8 = 0.300, Contrast = 0.575, Connect. = 0.790 for dens.mod. cycle 9 = 0.300, Contrast = 0.578, Connect. = 0.790 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 5390 peaks > 0.5 sigma used to seed fragment search Space for about 1111 unique residues taking solvent into account 1118 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 19 30.227 2.154 0.631 0.918 1.000 0.833 CB 1.430 B: 20 28.145 2.158 0.619 0.911 0.895 0.684 CB 1.464 C: 21 26.980 2.046 0.498 0.914 0.950 0.750 CB 1.465 20 residues pruned to eliminate duplicates D: 20 35.838 2.179 0.704 0.939 1.000 0.895 CB 1.539 E: 9 20.322 2.052 0.832 0.879 1.000 0.875 CB 1.386 F: 21 26.859 2.016 0.415 0.929 1.000 0.800 CB 1.474 21 residues pruned to eliminate duplicates G: 11 17.212 1.993 0.701 0.874 0.900 0.700 CB 1.299 H: 21 29.154 2.064 0.595 0.867 0.950 0.700 CB 1.525 20 residues pruned to eliminate duplicates I: 24 15.865 2.044 0.478 0.469 0.957 0.565 CB 1.181 J: 22 25.130 1.974 0.421 0.877 1.000 0.810 CB 1.420 K: 62 45.886 2.210 0.643 0.613 0.967 0.689 CB 1.503 L: 19 28.487 2.163 0.501 0.925 1.000 0.778 CB 1.451 21 residues pruned to eliminate duplicates M: 38 36.957 2.166 0.709 0.732 0.946 0.730 CB 1.408 23 residues pruned to eliminate duplicates N: 19 30.817 2.186 0.579 0.939 0.944 0.778 CB 1.548 19 residues pruned to eliminate duplicates O: 20 25.713 2.092 0.331 0.914 1.000 0.684 CB 1.498 20 residues pruned to eliminate duplicates P: 35 38.203 2.189 0.754 0.717 0.912 0.559 CB 1.537 35 residues pruned to eliminate duplicates Q: 15 22.793 2.219 0.476 0.867 0.857 0.786 CA 1.587 15 residues pruned to eliminate duplicates R: 19 36.191 2.218 0.881 0.926 0.944 0.667 CB 1.517 20 residues pruned to eliminate duplicates S: 21 26.409 2.051 0.488 0.898 1.000 0.900 CB 1.384 21 residues pruned to eliminate duplicates T: 25 21.550 2.053 0.612 0.493 0.958 0.708 CB 1.398 U: 8 13.378 2.182 0.432 0.888 0.857 0.857 CB 1.361 V: 20 29.190 2.095 0.642 0.923 0.947 0.737 CB 1.445 20 residues pruned to eliminate duplicates W: 16 17.550 2.092 0.691 0.867 0.867 0.733 CB 1.082 X: 6 11.043 1.871 0.557 0.751 1.000 0.800 CB 1.355 Y: 9 14.356 1.977 0.353 0.816 1.000 0.625 CA 1.442 Z: 23 12.838 2.047 0.429 0.381 0.818 0.545 CB 1.298 23 residues pruned to eliminate duplicates Z: 11 13.394 1.828 0.584 0.764 1.000 0.600 CA 1.156 Z: 24 22.393 2.123 0.692 0.547 0.957 0.652 CB 1.299 24 residues pruned to eliminate duplicates Z: 20 26.646 2.117 0.552 0.926 0.947 0.789 CB 1.376 20 residues pruned to eliminate duplicates Z: 90 48.696 2.157 0.655 0.583 0.955 0.584 CB 1.399 31 residues pruned to eliminate duplicates Z: 10 16.720 1.896 0.807 0.826 1.000 0.556 CB 1.226 Z: 11 17.495 1.980 0.697 0.810 0.900 0.700 CA 1.397 Z: 9 18.863 2.129 0.664 0.897 0.875 0.875 CA 1.540 Z: 8 11.148 2.130 0.148 0.882 0.857 0.857 CB 1.454 8 residues pruned to eliminate duplicates Z: 11 14.078 1.890 0.572 0.818 1.000 0.600 CB 1.137 12 residues pruned to eliminate duplicates Z: 16 26.105 2.147 0.640 0.879 0.933 0.667 CB 1.487 16 residues pruned to eliminate duplicates Z: 9 18.440 2.048 0.504 0.905 1.000 1.000 CB 1.507 9 residues pruned to eliminate duplicates Z: 19 31.251 2.183 1.013 0.922 0.889 0.722 CB 1.326 19 residues pruned to eliminate duplicates Z: 12 15.893 2.015 0.507 0.900 1.000 0.818 CB 1.127 12 residues pruned to eliminate duplicates Z: 19 32.550 2.177 0.931 0.936 0.944 0.556 CB 1.345 19 residues pruned to eliminate duplicates Z: 10 13.765 1.955 0.436 0.797 0.889 0.556 CA 1.417 10 residues pruned to eliminate duplicates Z: 48 35.592 2.171 0.693 0.500 0.936 0.553 CB 1.508 19 residues pruned to eliminate duplicates Z: 22 28.938 2.142 1.059 0.617 0.952 0.571 CA 1.347 Z: 9 13.554 2.150 0.556 0.770 0.875 0.875 CB 1.289 9 residues pruned to eliminate duplicates Z: 18 16.379 1.930 0.549 0.520 0.941 0.647 CB 1.384 18 residues pruned to eliminate duplicates Z: 21 27.312 2.052 0.424 0.904 1.000 0.800 CB 1.490 21 residues pruned to eliminate duplicates Z: 23 23.351 2.123 0.663 0.572 0.955 0.682 CB 1.379 23 residues pruned to eliminate duplicates Z: 19 30.302 2.155 0.538 0.929 1.000 0.889 CB 1.508 19 residues pruned to eliminate duplicates Z: 16 24.545 1.967 0.514 0.893 1.000 0.867 CA 1.528 16 residues pruned to eliminate duplicates Z: 21 25.864 2.053 0.506 0.880 0.950 0.800 CB 1.426 21 residues pruned to eliminate duplicates Z: 21 26.582 2.061 0.450 0.901 1.000 0.850 CB 1.420 21 residues pruned to eliminate duplicates Z: 17 15.297 1.778 0.518 0.830 0.938 0.750 CB 1.136 Z: 10 23.743 2.067 0.694 0.895 1.000 0.778 CA 1.621 11 residues pruned to eliminate duplicates Z: 18 18.284 1.803 0.579 0.892 0.941 0.706 CB 1.189 Z: 20 30.806 2.102 0.752 0.922 1.000 0.684 CB 1.350 20 residues pruned to eliminate duplicates Z: 14 15.298 1.936 0.793 0.502 0.923 0.615 CB 1.321 Z: 18 38.147 2.223 0.857 0.944 1.000 0.588 CB 1.552 18 residues pruned to eliminate duplicates Z: 12 30.489 2.210 0.788 0.915 1.000 0.727 CB 1.644 Z: 20 30.422 2.173 0.614 0.915 0.947 0.684 CB 1.485 20 residues pruned to eliminate duplicates Z: 20 26.130 2.103 0.621 0.930 0.895 0.579 CB 1.375 20 residues pruned to eliminate duplicates Z: 27 20.304 2.000 0.326 0.653 0.923 0.500 CB 1.411 14 residues pruned to eliminate duplicates Z: 20 29.932 2.089 0.791 0.946 0.947 0.632 CB 1.340 20 residues pruned to eliminate duplicates Z: 19 41.267 2.166 0.988 0.936 1.000 0.833 CB 1.573 19 residues pruned to eliminate duplicates Z: 16 19.568 2.084 0.339 0.928 1.000 1.000 CB 1.268 Z: 15 17.874 2.086 0.611 0.884 0.929 0.786 CB 1.106 15 residues pruned to eliminate duplicates Z: 19 29.937 2.206 0.933 0.685 1.000 0.556 CB 1.397 19 residues pruned to eliminate duplicates Z: 10 18.855 2.162 0.681 0.913 1.000 0.778 CB 1.224 8 residues pruned to eliminate duplicates Z: 11 18.968 1.949 0.932 0.757 1.000 0.800 CB 1.268 11 residues pruned to eliminate duplicates Z: 6 6.302 1.838 0.031 0.811 1.000 0.800 CA 1.134 Z: 31 17.116 1.836 0.625 0.520 0.800 0.433 CB 1.284 Z: 9 15.715 1.965 0.439 0.864 1.000 0.500 CB 1.440 8 residues pruned to eliminate duplicates Z: 17 16.896 1.832 0.539 0.906 0.938 0.875 CB 1.137 Z: 6 6.725 1.778 0.595 0.726 0.800 0.400 CA 1.081 6 residues pruned to eliminate duplicates Z: 25 20.371 2.044 0.699 0.536 0.917 0.583 CB 1.260 25 residues pruned to eliminate duplicates Z: 17 17.083 1.824 0.664 0.884 0.938 0.625 CB 1.084 16 residues pruned to eliminate duplicates Z: 9 20.834 2.040 0.785 0.874 1.000 0.875 CB 1.472 Z: 32 38.384 2.181 0.731 0.739 0.935 0.742 CB 1.574 20 residues pruned to eliminate duplicates Z: 7 7.827 1.836 0.285 0.750 0.833 0.667 CA 1.300 7 residues pruned to eliminate duplicates Z: 20 23.612 2.073 0.330 0.934 0.947 0.947 CB 1.446 20 residues pruned to eliminate duplicates Z: 25 21.128 2.069 0.653 0.504 0.917 0.708 CB 1.371 25 residues pruned to eliminate duplicates Z: 9 15.443 2.067 0.339 0.913 1.000 0.875 CA 1.397 9 residues pruned to eliminate duplicates Z: 13 13.508 2.077 0.260 0.730 1.000 0.750 CB 1.211 Z: 9 15.741 2.128 0.349 0.845 1.000 0.750 CB 1.442 9 residues pruned to eliminate duplicates Z: 11 16.181 1.926 0.583 0.795 0.900 0.700 CB 1.440 11 residues pruned to eliminate duplicates Z: 9 4.618 1.785 0.628 0.537 0.750 0.500 CB 0.722 9 residues pruned to eliminate duplicates Z: 16 24.085 2.110 0.446 0.905 1.000 0.800 CA 1.451 15 residues pruned to eliminate duplicates Z: 10 20.089 1.961 1.039 0.777 1.000 0.667 CB 1.311 Z: 61 42.126 2.171 0.563 0.612 0.983 0.650 CB 1.466 13 residues pruned to eliminate duplicates Z: 12 11.557 1.938 0.421 0.747 0.727 0.273 CB 1.394 12 residues pruned to eliminate duplicates Z: 15 18.419 2.144 0.203 0.810 1.000 0.714 CB 1.457 13 residues pruned to eliminate duplicates Z: 13 13.634 1.870 0.643 0.580 0.917 0.583 CB 1.294 Z: 13 9.867 2.022 0.239 0.721 0.917 0.750 CB 1.015 12 residues pruned to eliminate duplicates Z: 10 19.137 2.051 0.460 0.908 1.000 0.778 CA 1.513 10 residues pruned to eliminate duplicates Z: 21 25.306 2.083 0.572 0.888 0.900 0.700 CB 1.383 21 residues pruned to eliminate duplicates Z: 25 20.397 2.063 0.597 0.546 0.958 0.625 CB 1.261 24 residues pruned to eliminate duplicates Z: 18 16.521 1.799 0.459 0.895 1.000 0.706 CB 1.094 Z: 15 20.725 2.188 0.498 0.837 0.786 0.571 CA 1.609 15 residues pruned to eliminate duplicates Z: 20 36.296 2.165 0.995 0.930 0.947 0.579 CB 1.423 20 residues pruned to eliminate duplicates Z: 12 27.928 2.226 0.623 0.881 1.000 0.545 CB 1.688 12 residues pruned to eliminate duplicates Z: 20 24.462 2.080 0.303 0.944 0.947 0.947 CA 1.514 20 residues pruned to eliminate duplicates Z: 25 17.867 2.038 0.513 0.514 0.917 0.583 CB 1.273 25 residues pruned to eliminate duplicates Z: 9 18.009 2.088 0.487 0.903 1.000 1.000 CA 1.461 9 residues pruned to eliminate duplicates Z: 19 30.127 2.197 0.667 0.931 1.000 0.611 CB 1.355 19 residues pruned to eliminate duplicates Z: 19 33.597 2.132 0.717 0.906 1.000 0.667 CB 1.539 19 residues pruned to eliminate duplicates Z: 24 20.175 2.128 0.674 0.587 0.913 0.696 CB 1.190 24 residues pruned to eliminate duplicates Z: 59 40.264 2.166 0.643 0.563 0.931 0.534 CB 1.501 59 residues pruned to eliminate duplicates Z: 25 18.467 2.052 0.447 0.498 0.958 0.500 CB 1.326 26 residues pruned to eliminate duplicates Z: 17 18.002 2.003 0.559 0.882 0.875 0.625 CB 1.192 17 residues pruned to eliminate duplicates Z: 50 32.191 2.123 0.684 0.536 0.959 0.673 CB 1.295 28 residues pruned to eliminate duplicates Z: 9 18.429 2.021 0.662 0.853 1.000 0.875 CB 1.433 9 residues pruned to eliminate duplicates Z: 15 22.629 2.206 0.260 0.907 1.000 0.929 CA 1.546 15 residues pruned to eliminate duplicates Z: 15 16.611 1.804 0.777 0.929 1.000 0.714 CB 0.969 15 residues pruned to eliminate duplicates Z: 19 33.838 2.185 0.743 0.929 0.944 0.833 CB 1.551 19 residues pruned to eliminate duplicates Z: 15 22.785 2.193 0.339 0.879 1.000 0.786 CA 1.503 15 residues pruned to eliminate duplicates Z: 56 43.061 2.197 0.692 0.573 0.945 0.618 CB 1.540 31 residues pruned to eliminate duplicates Z: 17 15.450 1.959 0.396 0.766 0.938 0.562 CB 1.191 17 residues pruned to eliminate duplicates Z: 9 24.168 2.164 0.690 0.917 1.000 0.500 CA 1.648 9 residues pruned to eliminate duplicates Z: 11 16.225 1.992 0.448 0.889 1.000 0.600 CB 1.280 11 residues pruned to eliminate duplicates Z: 19 35.043 2.215 0.769 0.925 1.000 0.778 CB 1.480 19 residues pruned to eliminate duplicates Z: 15 24.645 2.217 0.467 0.917 0.929 0.929 CA 1.539 15 residues pruned to eliminate duplicates Z: 15 25.814 2.194 0.456 0.902 1.000 0.857 CA 1.540 15 residues pruned to eliminate duplicates Z: 19 16.957 1.650 0.573 0.906 1.000 0.889 CB 1.095 19 residues pruned to eliminate duplicates Z: 15 25.813 2.214 0.648 0.909 0.857 0.857 CA 1.566 15 residues pruned to eliminate duplicates Z: 118 57.203 2.181 0.665 0.557 0.932 0.615 CB 1.480 116 residues pruned to eliminate duplicates Z: 58 38.896 2.152 0.719 0.534 0.930 0.632 CB 1.449 58 residues pruned to eliminate duplicates Z: 10 12.216 1.898 0.419 0.761 1.000 0.667 CA 1.199 10 residues pruned to eliminate duplicates Z: 10 7.962 1.752 0.289 0.823 0.667 0.333 CA 1.333 10 residues pruned to eliminate duplicates Z: 29 20.529 2.066 0.580 0.519 0.893 0.714 CB 1.306 31 residues pruned to eliminate duplicates Z: 24 15.203 2.024 0.456 0.599 0.783 0.565 CB 1.252 Z: 97 45.492 2.124 0.586 0.569 0.938 0.594 CB 1.375 63 residues pruned to eliminate duplicates Z: 9 22.705 2.124 0.665 0.877 1.000 0.625 CA 1.649 9 residues pruned to eliminate duplicates Z: 15 16.942 1.954 0.750 0.803 0.857 0.500 CB 1.186 15 residues pruned to eliminate duplicates Z: 14 12.465 1.727 0.411 0.768 0.923 0.615 CB 1.212 14 residues pruned to eliminate duplicates Z: 9 15.649 1.983 0.593 0.804 1.000 0.625 CB 1.343 9 residues pruned to eliminate duplicates Z: 20 28.353 2.022 0.680 0.902 1.000 0.579 CB 1.366 20 residues pruned to eliminate duplicates Z: 51 27.750 2.031 0.586 0.672 0.840 0.620 CB 1.238 49 residues pruned to eliminate duplicates Z: 15 24.373 2.153 0.634 0.928 1.000 0.857 CB 1.297 15 residues pruned to eliminate duplicates Z: 17 18.312 2.045 0.553 0.877 0.938 0.750 CB 1.117 16 residues pruned to eliminate duplicates Z: 27 21.995 2.024 0.804 0.505 0.962 0.538 CB 1.222 24 residues pruned to eliminate duplicates Z: 10 16.470 1.952 0.932 0.818 0.889 0.889 CA 1.242 10 residues pruned to eliminate duplicates Z: 10 12.092 1.875 0.628 0.566 0.889 0.889 CB 1.394 10 residues pruned to eliminate duplicates Z: 13 10.033 1.790 0.419 0.702 0.833 0.667 CB 1.138 13 residues pruned to eliminate duplicates Z: 12 17.876 1.921 0.627 0.799 1.000 0.636 CB 1.327 12 residues pruned to eliminate duplicates Z: 13 10.600 2.053 0.019 0.768 0.917 0.500 CB 1.259 13 residues pruned to eliminate duplicates Z: 15 21.829 2.174 0.336 0.860 1.000 0.643 CA 1.476 15 residues pruned to eliminate duplicates Z: 71 43.663 2.147 0.674 0.598 0.957 0.671 CB 1.381 64 residues pruned to eliminate duplicates Z: 8 17.161 2.162 1.011 0.731 0.857 0.857 CB 1.414 Z: 55 33.062 2.024 0.618 0.576 0.870 0.593 CB 1.467 55 residues pruned to eliminate duplicates Z: 32 42.503 2.184 0.733 0.765 0.968 0.645 CB 1.648 32 residues pruned to eliminate duplicates Z: 12 13.369 2.116 0.203 0.730 1.000 0.455 CB 1.287 12 residues pruned to eliminate duplicates Z: 13 9.368 1.796 0.305 0.813 0.750 0.333 CB 1.172 13 residues pruned to eliminate duplicates Z: 20 28.358 2.119 0.595 0.903 0.947 0.737 CB 1.448 20 residues pruned to eliminate duplicates Z: 14 12.988 1.809 0.687 0.794 0.923 0.615 CB 0.988 14 residues pruned to eliminate duplicates Z: 27 15.758 2.072 0.546 0.428 0.885 0.538 CB 1.175 27 residues pruned to eliminate duplicates Z: 17 20.027 2.032 0.557 0.859 0.938 0.688 CB 1.242 17 residues pruned to eliminate duplicates Z: 9 26.187 2.089 1.207 0.857 1.000 0.750 CA 1.481 10 residues pruned to eliminate duplicates Z: 24 21.114 2.109 0.674 0.548 0.957 0.696 CB 1.244 24 residues pruned to eliminate duplicates Z: 9 14.871 2.096 0.662 0.788 0.875 0.625 CB 1.340 9 residues pruned to eliminate duplicates Z: 105 53.004 2.134 0.678 0.553 0.990 0.596 CB 1.392 104 residues pruned to eliminate duplicates Z: 64 44.976 2.192 0.675 0.546 0.968 0.603 CB 1.524 64 residues pruned to eliminate duplicates Z: 11 16.962 2.152 0.595 0.672 0.900 0.700 CB 1.482 11 residues pruned to eliminate duplicates Z: 78 40.781 2.152 0.548 0.576 0.883 0.623 CB 1.468 78 residues pruned to eliminate duplicates Z: 24 20.438 2.087 0.579 0.552 0.957 0.652 CB 1.285 24 residues pruned to eliminate duplicates Z: 15 10.155 1.791 0.254 0.733 0.929 0.714 CB 1.055 15 residues pruned to eliminate duplicates Z: 15 27.283 2.208 0.514 0.899 1.000 0.786 CA 1.558 15 residues pruned to eliminate duplicates Z: 11 16.826 2.195 0.798 0.893 1.000 0.500 CB 0.968 8 residues pruned to eliminate duplicates Z: 13 12.047 1.866 0.382 0.703 0.833 0.583 CB 1.346 13 residues pruned to eliminate duplicates Z: 19 30.418 2.159 0.492 0.922 1.000 0.944 CB 1.564 19 residues pruned to eliminate duplicates Z: 9 8.817 2.227 0.169 0.884 1.000 0.375 CB 0.865 9 residues pruned to eliminate duplicates Z: 20 34.102 2.136 0.809 0.932 0.947 0.421 CB 1.493 20 residues pruned to eliminate duplicates Z: 19 39.747 2.205 0.908 0.943 1.000 0.611 CB 1.543 19 residues pruned to eliminate duplicates Z: 10 23.257 2.115 0.544 0.921 1.000 0.667 CA 1.670 10 residues pruned to eliminate duplicates Z: 11 17.677 1.815 1.000 0.866 1.000 0.800 CB 1.127 11 residues pruned to eliminate duplicates Z: 10 19.059 1.868 0.699 0.870 1.000 0.667 CB 1.460 10 residues pruned to eliminate duplicates Z: 124 59.468 2.157 0.689 0.568 0.959 0.642 CB 1.437 118 residues pruned to eliminate duplicates Z: 11 17.997 2.078 1.071 0.917 0.900 0.600 CB 1.037 11 residues pruned to eliminate duplicates Z: 90 48.374 2.169 0.578 0.572 0.955 0.562 CB 1.463 90 residues pruned to eliminate duplicates Z: 12 13.941 1.825 0.417 0.791 1.000 0.545 CB 1.259 12 residues pruned to eliminate duplicates Z: 20 33.715 2.135 0.756 0.937 1.000 0.632 CB 1.435 20 residues pruned to eliminate duplicates Z: 10 23.569 2.059 0.743 0.880 1.000 0.778 CA 1.587 9 residues pruned to eliminate duplicates Z: 9 12.681 2.080 0.962 0.566 0.750 0.625 CB 1.375 9 residues pruned to eliminate duplicates Z: 65 33.608 2.073 0.547 0.576 0.922 0.703 CB 1.321 57 residues pruned to eliminate duplicates Z: 10 6.553 1.879 0.333 0.620 0.667 0.667 CB 1.167 10 residues pruned to eliminate duplicates Z: 11 10.574 1.872 0.619 0.628 0.900 0.700 CB 1.087 11 residues pruned to eliminate duplicates Z: 12 13.747 1.991 0.298 0.798 1.000 0.455 CB 1.236 12 residues pruned to eliminate duplicates Z: 15 24.287 2.209 0.367 0.889 1.000 0.786 CA 1.548 15 residues pruned to eliminate duplicates Z: 15 27.138 2.210 0.590 0.872 0.929 0.643 CA 1.620 15 residues pruned to eliminate duplicates Z: 9 13.281 1.877 0.787 0.895 1.000 0.625 CB 1.004 9 residues pruned to eliminate duplicates Z: 19 16.664 1.741 0.441 0.917 1.000 0.889 CB 1.105 19 residues pruned to eliminate duplicates Z: 19 15.924 1.717 0.509 0.883 1.000 0.722 CB 1.047 19 residues pruned to eliminate duplicates Z: 14 15.357 1.967 0.452 0.724 1.000 0.615 CB 1.219 14 residues pruned to eliminate duplicates Z: 13 16.313 2.081 0.458 0.915 1.000 0.667 CB 1.097 11 residues pruned to eliminate duplicates Z: 124 57.818 2.175 0.720 0.537 0.935 0.634 CB 1.437 123 residues pruned to eliminate duplicates Z: 37 32.088 2.125 0.651 0.678 0.889 0.639 CB 1.455 37 residues pruned to eliminate duplicates Z: 14 28.963 2.216 0.647 0.934 0.923 0.846 CB 1.663 14 residues pruned to eliminate duplicates Z: 49 34.538 2.145 0.705 0.548 0.979 0.646 CB 1.328 49 residues pruned to eliminate duplicates Z: 19 17.762 1.738 0.610 0.910 1.000 0.833 CB 1.061 18 residues pruned to eliminate duplicates Z: 48 34.956 2.093 0.655 0.644 0.936 0.617 CB 1.375 48 residues pruned to eliminate duplicates Z: 79 43.889 2.147 0.580 0.584 0.936 0.654 CB 1.444 79 residues pruned to eliminate duplicates Z: 15 19.932 2.199 0.116 0.891 1.000 0.857 CA 1.560 15 residues pruned to eliminate duplicates Z: 15 21.287 2.214 0.163 0.900 1.000 0.857 CA 1.577 15 residues pruned to eliminate duplicates Z: 8 13.080 2.097 0.559 0.875 1.000 0.429 CB 1.100 8 residues pruned to eliminate duplicates Z: 10 18.573 1.924 0.633 0.844 1.000 0.889 CA 1.466 10 residues pruned to eliminate duplicates Z: 24 31.959 2.256 0.822 0.532 0.957 0.522 CB 1.643 24 residues pruned to eliminate duplicates Z: 15 13.937 1.837 0.725 0.561 0.857 0.500 CB 1.294 15 residues pruned to eliminate duplicates Z: 10 14.684 1.886 0.607 0.827 1.000 0.444 CB 1.217 10 residues pruned to eliminate duplicates Z: 78 42.528 2.126 0.614 0.552 0.961 0.481 CB 1.397 78 residues pruned to eliminate duplicates Z: 19 30.999 2.185 0.942 0.929 0.889 0.500 CB 1.356 19 residues pruned to eliminate duplicates Z: 22 18.463 2.012 0.506 0.618 0.905 0.476 CB 1.314 16 residues pruned to eliminate duplicates Z: 15 26.568 2.209 0.673 0.877 0.857 0.714 CB 1.628 15 residues pruned to eliminate duplicates Z: 20 32.148 2.133 0.807 0.900 0.895 0.684 CB 1.527 20 residues pruned to eliminate duplicates Z: 20 23.147 2.014 0.306 0.932 1.000 0.947 CB 1.410 20 residues pruned to eliminate duplicates Z: 8 17.148 2.155 0.854 0.855 1.000 0.571 CA 1.197 8 residues pruned to eliminate duplicates Z: 20 29.089 2.098 0.666 0.909 0.947 0.842 CB 1.430 20 residues pruned to eliminate duplicates Z: 111 55.261 2.173 0.698 0.572 0.955 0.618 CB 1.395 111 residues pruned to eliminate duplicates Z: 8 10.149 2.197 0.302 0.819 0.857 0.571 CB 1.187 8 residues pruned to eliminate duplicates Z: 10 16.853 1.937 1.018 0.750 0.889 0.667 CB 1.293 10 residues pruned to eliminate duplicates Z: 9 11.863 2.031 0.222 0.770 1.000 0.750 CB 1.330 9 residues pruned to eliminate duplicates Z: 8 20.766 2.242 0.782 0.856 1.000 0.857 CA 1.449 10 residues pruned to eliminate duplicates Z: 9 14.668 2.198 0.426 0.926 1.000 0.750 CB 1.161 7 residues pruned to eliminate duplicates Z: 7 10.287 2.026 0.393 0.802 0.833 0.333 CB 1.371 7 residues pruned to eliminate duplicates Z: 18 15.472 1.802 0.281 0.885 0.941 0.647 CB 1.248 18 residues pruned to eliminate duplicates Z: 10 9.876 1.917 0.042 0.838 1.000 0.444 CB 1.232 10 residues pruned to eliminate duplicates Z: 10 14.757 1.905 0.560 0.835 1.000 0.667 CB 1.239 10 residues pruned to eliminate duplicates Z: 20 33.783 2.098 0.893 0.922 0.947 0.579 CB 1.449 20 residues pruned to eliminate duplicates Z: 11 9.071 1.698 0.475 0.665 0.900 0.800 CB 1.092 11 residues pruned to eliminate duplicates Z: 19 17.440 1.734 0.647 0.914 1.000 0.944 CB 1.018 19 residues pruned to eliminate duplicates Z: 18 32.319 2.134 0.820 0.913 1.000 0.588 CB 1.429 18 residues pruned to eliminate duplicates Z: 9 8.535 1.606 0.219 0.857 1.000 0.625 CB 1.136 9 residues pruned to eliminate duplicates Z: 25 29.912 2.168 0.958 0.540 0.958 0.458 CA 1.444 30 residues pruned to eliminate duplicates Z: 33 28.203 2.164 0.630 0.585 0.844 0.625 CB 1.545 34 residues pruned to eliminate duplicates Z: 23 18.618 2.093 0.513 0.496 0.955 0.636 CB 1.318 23 residues pruned to eliminate duplicates Z: 16 17.032 2.019 0.728 0.773 0.867 0.400 CB 1.143 16 residues pruned to eliminate duplicates Z: 21 24.979 2.022 0.413 0.899 1.000 0.850 CB 1.397 21 residues pruned to eliminate duplicates Z: 11 17.705 1.890 0.632 0.870 1.000 0.900 CA 1.325 10 residues pruned to eliminate duplicates Z: 15 12.513 1.661 0.336 0.807 0.929 0.786 CB 1.241 15 residues pruned to eliminate duplicates Z: 14 21.046 2.115 0.780 0.803 0.923 0.308 CB 1.289 14 residues pruned to eliminate duplicates Z: 64 36.389 2.081 0.553 0.601 0.968 0.603 CB 1.330 64 residues pruned to eliminate duplicates Z: 17 17.059 1.812 0.393 0.868 1.000 0.562 CB 1.234 17 residues pruned to eliminate duplicates Z: 20 24.372 2.038 0.515 0.850 0.895 0.737 CA 1.500 20 residues pruned to eliminate duplicates Z: 33 31.366 2.143 0.496 0.668 0.938 0.688 CB 1.579 33 residues pruned to eliminate duplicates Z: 12 15.441 1.965 0.547 0.737 0.909 0.636 CB 1.361 Z: 15 17.611 1.870 0.535 0.765 1.000 0.571 CB 1.296 17 residues pruned to eliminate duplicates Z: 109 57.158 2.180 0.704 0.575 0.954 0.593 CB 1.444 109 residues pruned to eliminate duplicates Z: 17 17.837 1.852 0.523 0.911 0.938 0.750 CB 1.196 17 residues pruned to eliminate duplicates Z: 107 53.946 2.164 0.747 0.561 0.943 0.632 CB 1.385 107 residues pruned to eliminate duplicates Z: 12 12.920 2.100 0.461 0.543 1.000 0.636 CB 1.217 12 residues pruned to eliminate duplicates Z: 30 31.451 2.091 0.964 0.710 0.931 0.517 CB 1.262 23 residues pruned to eliminate duplicates Z: 16 21.331 2.054 0.593 0.916 1.000 0.933 CB 1.189 16 residues pruned to eliminate duplicates Z: 6 7.527 1.682 0.507 0.815 0.800 0.800 N 1.263 Z: 79 41.508 2.120 0.517 0.570 0.962 0.667 CB 1.421 79 residues pruned to eliminate duplicates Z: 12 13.900 1.927 0.427 0.731 0.909 0.636 CB 1.362 12 residues pruned to eliminate duplicates Z: 19 18.098 1.758 0.613 0.903 1.000 0.667 CB 1.072 19 residues pruned to eliminate duplicates Z: 21 30.868 2.065 0.667 0.933 1.000 0.950 CB 1.400 21 residues pruned to eliminate duplicates Z: 26 13.530 1.961 0.450 0.473 0.800 0.480 CB 1.222 26 residues pruned to eliminate duplicates Z: 18 17.524 1.772 0.688 0.921 0.941 0.765 CB 1.063 18 residues pruned to eliminate duplicates Z: 8 18.862 2.220 0.624 0.895 1.000 0.857 CA 1.417 8 residues pruned to eliminate duplicates Z: 19 18.489 1.752 0.648 0.914 1.000 0.778 CB 1.068 18 residues pruned to eliminate duplicates Z: 9 10.514 1.946 0.487 0.842 0.875 0.625 CB 1.094 9 residues pruned to eliminate duplicates Z: 10 18.213 1.893 0.585 0.852 1.000 0.889 CA 1.497 11 residues pruned to eliminate duplicates Z: 19 17.562 1.757 0.618 0.907 1.000 0.722 CB 1.035 19 residues pruned to eliminate duplicates Z: 10 15.903 2.040 0.836 0.581 0.889 0.778 CB 1.474 Z: 12 17.557 1.975 0.638 0.726 1.000 0.727 CB 1.335 12 residues pruned to eliminate duplicates Z: 11 17.788 2.082 0.727 0.724 0.900 0.800 CB 1.421 13 residues pruned to eliminate duplicates Z: 47 34.602 2.095 0.757 0.617 0.957 0.696 CB 1.297 47 residues pruned to eliminate duplicates Z: 55 45.878 2.191 0.706 0.561 1.000 0.593 CB 1.574 55 residues pruned to eliminate duplicates Z: 64 33.528 2.045 0.585 0.583 0.968 0.603 CB 1.242 64 residues pruned to eliminate duplicates Z: 10 16.842 2.059 0.242 0.879 1.000 0.889 CA 1.592 10 residues pruned to eliminate duplicates Z: 6 5.740 1.843 0.329 0.597 0.800 0.800 CB 1.194 Z: 19 33.356 2.188 0.708 0.925 1.000 0.667 CB 1.476 19 residues pruned to eliminate duplicates Z: 21 34.059 2.085 0.870 0.898 0.950 0.700 CB 1.470 21 residues pruned to eliminate duplicates Z: 9 21.978 2.124 0.770 0.889 1.000 0.500 CB 1.488 9 residues pruned to eliminate duplicates Z: 23 18.409 2.025 0.624 0.682 0.864 0.591 CB 1.168 23 residues pruned to eliminate duplicates Z: 46 31.217 2.147 0.687 0.544 0.911 0.622 CB 1.351 46 residues pruned to eliminate duplicates Z: 18 34.034 2.216 0.879 0.936 0.941 0.529 CB 1.467 18 residues pruned to eliminate duplicates Z: 14 14.362 1.972 0.337 0.712 1.000 0.538 CB 1.247 14 residues pruned to eliminate duplicates Z: 9 9.898 2.035 0.472 0.773 0.750 0.750 CB 1.223 9 residues pruned to eliminate duplicates Z: 126 59.032 2.178 0.642 0.579 0.928 0.696 CB 1.475 126 residues pruned to eliminate duplicates Z: 15 16.325 2.074 0.579 0.854 0.857 0.714 CB 1.148 15 residues pruned to eliminate duplicates Z: 16 24.538 2.166 0.456 0.855 1.000 0.600 CA 1.483 16 residues pruned to eliminate duplicates Z: 24 15.457 1.942 0.229 0.668 0.957 0.478 CB 1.208 24 residues pruned to eliminate duplicates Z: 8 8.871 2.134 0.233 0.895 1.000 0.714 CB 0.913 8 residues pruned to eliminate duplicates Z: 21 11.941 1.858 0.511 0.535 0.750 0.500 CB 1.225 21 residues pruned to eliminate duplicates Z: 8 20.734 2.130 0.806 0.864 1.000 1.000 CB 1.493 8 residues pruned to eliminate duplicates Z: 9 12.964 1.923 0.731 0.703 1.000 0.750 CB 1.144 9 residues pruned to eliminate duplicates Z: 15 11.764 1.801 0.724 0.543 0.714 0.500 CB 1.360 15 residues pruned to eliminate duplicates Z: 80 43.844 2.133 0.648 0.580 0.886 0.658 CB 1.467 80 residues pruned to eliminate duplicates Z: 12 14.492 1.935 0.643 0.639 0.909 0.727 CB 1.327 12 residues pruned to eliminate duplicates Z: 10 22.933 1.988 0.640 0.907 1.000 0.556 CB 1.666 10 residues pruned to eliminate duplicates Z: 9 10.339 2.009 0.479 0.819 1.000 0.750 CB 0.932 9 residues pruned to eliminate duplicates Z: 10 18.536 2.079 0.619 0.750 1.000 0.778 CB 1.469 10 residues pruned to eliminate duplicates Z: 9 11.264 1.818 0.540 0.885 1.000 0.625 CB 1.027 9 residues pruned to eliminate duplicates Z: 20 32.664 2.096 0.770 0.914 1.000 0.526 CB 1.429 20 residues pruned to eliminate duplicates Z: 15 14.899 1.912 0.570 0.840 0.786 0.714 CB 1.259 15 residues pruned to eliminate duplicates Z: 6 7.289 1.774 0.203 0.788 1.000 0.800 CA 1.186 6 residues pruned to eliminate duplicates Z: 10 12.311 1.914 0.502 0.810 1.000 0.333 CB 1.090 10 residues pruned to eliminate duplicates Z: 62 33.971 2.077 0.567 0.613 0.934 0.574 CB 1.285 62 residues pruned to eliminate duplicates Z: 11 12.936 2.027 0.826 0.603 0.900 0.300 CB 1.114 11 residues pruned to eliminate duplicates Z: 8 7.163 1.469 0.626 0.872 0.857 0.714 CB 0.964 8 residues pruned to eliminate duplicates Z: 122 57.375 2.122 0.746 0.566 0.967 0.562 CB 1.366 116 residues pruned to eliminate duplicates Z: 63 37.242 2.117 0.712 0.603 0.919 0.661 CB 1.286 63 residues pruned to eliminate duplicates Z: 20 27.470 2.096 0.488 0.911 0.947 0.842 CB 1.511 20 residues pruned to eliminate duplicates Z: 72 45.193 2.181 0.808 0.531 0.944 0.690 CB 1.399 72 residues pruned to eliminate duplicates Z: 18 21.752 1.763 0.677 0.895 1.000 0.824 CB 1.279 18 residues pruned to eliminate duplicates Z: 32 25.294 2.144 0.550 0.598 0.806 0.710 CB 1.544 32 residues pruned to eliminate duplicates Z: 9 6.942 2.043 0.101 0.767 0.625 0.500 CB 1.377 9 residues pruned to eliminate duplicates Z: 24 34.953 2.161 0.862 0.807 1.000 0.609 CB 1.385 24 residues pruned to eliminate duplicates Z: 23 20.700 2.138 0.541 0.516 0.955 0.682 CB 1.381 23 residues pruned to eliminate duplicates Z: 12 15.994 1.982 0.591 0.701 0.909 0.636 CB 1.401 12 residues pruned to eliminate duplicates Z: 6 6.124 1.834 0.139 0.742 0.800 0.600 CB 1.320 Z: 9 13.380 1.977 0.368 0.827 1.000 0.875 CB 1.319 9 residues pruned to eliminate duplicates Z: 20 29.922 2.156 0.901 0.922 0.842 0.579 CB 1.398 20 residues pruned to eliminate duplicates Z: 20 34.522 2.124 0.877 0.887 0.947 0.737 CB 1.512 20 residues pruned to eliminate duplicates Z: 16 19.007 2.076 0.574 0.882 0.933 0.867 CB 1.164 16 residues pruned to eliminate duplicates Z: 8 16.657 2.162 1.102 0.717 0.857 0.714 CB 1.328 8 residues pruned to eliminate duplicates Z: 21 28.896 2.062 0.463 0.918 1.000 0.800 CB 1.510 21 residues pruned to eliminate duplicates Z: 118 54.497 2.155 0.653 0.554 0.949 0.581 CB 1.414 118 residues pruned to eliminate duplicates Z: 19 31.188 2.148 0.850 0.933 0.944 0.833 CB 1.367 19 residues pruned to eliminate duplicates Z: 12 9.087 1.851 0.469 0.465 0.818 0.545 CA 1.276 12 residues pruned to eliminate duplicates Z: 17 21.712 1.828 0.647 0.921 1.000 0.688 CB 1.269 17 residues pruned to eliminate duplicates Z: 16 23.161 2.062 0.561 0.872 0.933 0.200 CB 1.450 16 residues pruned to eliminate duplicates Z: 19 36.385 2.177 0.850 0.929 1.000 0.389 CB 1.491 19 residues pruned to eliminate duplicates Z: 6 5.520 1.944 -0.143 0.784 0.800 0.400 CA 1.443 6 residues pruned to eliminate duplicates Z: 8 19.283 2.246 0.954 0.890 0.857 0.429 CA 1.394 8 residues pruned to eliminate duplicates Z: 77 43.074 2.156 0.602 0.578 0.895 0.658 CB 1.483 77 residues pruned to eliminate duplicates Z: 18 20.408 1.800 0.580 0.900 1.000 0.706 CB 1.243 18 residues pruned to eliminate duplicates Z: 6 3.996 1.741 0.597 0.764 1.000 0.800 CB 0.508 6 residues pruned to eliminate duplicates Z: 9 10.264 1.719 0.483 0.771 1.000 1.000 CB 1.120 Z: 51 26.187 2.024 0.639 0.490 0.920 0.560 CB 1.225 51 residues pruned to eliminate duplicates Z: 110 55.852 2.187 0.631 0.569 0.972 0.642 CB 1.443 110 residues pruned to eliminate duplicates Z: 16 20.251 2.151 0.193 0.878 1.000 0.733 CA 1.479 16 residues pruned to eliminate duplicates Z: 21 27.607 2.067 0.451 0.893 1.000 0.850 CB 1.478 21 residues pruned to eliminate duplicates Z: 16 13.631 2.090 0.509 0.843 0.867 0.800 CB 0.959 16 residues pruned to eliminate duplicates Z: 9 15.095 2.026 0.819 0.734 1.000 0.750 CB 1.173 9 residues pruned to eliminate duplicates Z: 44 28.878 2.154 0.707 0.529 0.930 0.628 CB 1.251 44 residues pruned to eliminate duplicates Z: 17 15.426 1.792 0.239 0.910 1.000 0.812 CB 1.232 17 residues pruned to eliminate duplicates Z: 7 10.358 2.103 0.202 0.738 1.000 0.667 CB 1.351 7 residues pruned to eliminate duplicates Z: 6 10.113 2.016 0.261 0.597 1.000 1.000 CA 1.621 6 residues pruned to eliminate duplicates Z: 9 23.070 2.059 0.832 0.887 1.000 0.875 CA 1.559 9 residues pruned to eliminate duplicates Z: 8 12.292 1.930 0.456 0.884 1.000 0.714 CB 1.195 8 residues pruned to eliminate duplicates Z: 16 13.410 2.016 0.389 0.841 0.933 0.733 CB 0.988 16 residues pruned to eliminate duplicates Z: 8 14.169 2.084 0.495 0.858 1.000 0.714 CB 1.266 8 residues pruned to eliminate duplicates Z: 9 10.815 2.001 0.429 0.765 1.000 0.500 CB 1.056 9 residues pruned to eliminate duplicates Z: 6 6.304 1.616 0.078 0.774 1.000 0.800 CB 1.270 6 residues pruned to eliminate duplicates Z: 15 10.121 1.858 0.223 0.771 0.714 0.429 CB 1.311 15 residues pruned to eliminate duplicates Z: 13 15.383 2.022 0.984 0.508 0.917 0.667 CB 1.198 13 residues pruned to eliminate duplicates Z: 91 54.742 2.174 0.723 0.586 0.956 0.667 CB 1.485 91 residues pruned to eliminate duplicates Z: 9 13.844 2.038 0.409 0.844 1.000 0.875 CA 1.268 9 residues pruned to eliminate duplicates Z: 99 52.609 2.188 0.645 0.584 0.929 0.694 CB 1.468 99 residues pruned to eliminate duplicates Z: 9 8.674 1.646 0.585 0.430 0.875 0.625 CB 1.444 9 residues pruned to eliminate duplicates Z: 80 42.604 2.108 0.592 0.597 0.975 0.722 CB 1.336 80 residues pruned to eliminate duplicates Z: 7 9.226 2.028 0.284 0.682 1.000 0.667 CB 1.224 7 residues pruned to eliminate duplicates Z: 8 12.568 2.127 0.879 0.697 0.714 0.714 CB 1.390 8 residues pruned to eliminate duplicates Z: 10 19.422 1.918 0.897 0.889 1.000 0.889 CA 1.281 10 residues pruned to eliminate duplicates Z: 112 56.541 2.178 0.673 0.570 0.955 0.586 CB 1.442 112 residues pruned to eliminate duplicates Z: 20 37.571 2.116 1.039 0.918 0.947 0.526 CB 1.488 19 residues pruned to eliminate duplicates Z: 10 17.160 1.923 0.895 0.858 1.000 0.778 CA 1.156 10 residues pruned to eliminate duplicates Z: 20 32.348 2.107 0.687 0.913 1.000 0.632 CB 1.478 20 residues pruned to eliminate duplicates Z: 8 11.705 1.902 0.486 0.809 0.857 0.571 CB 1.395 8 residues pruned to eliminate duplicates Z: 18 13.812 1.629 0.308 0.866 0.941 0.706 CB 1.223 17 residues pruned to eliminate duplicates Z: 41 25.904 2.090 0.621 0.440 0.925 0.475 CB 1.390 41 residues pruned to eliminate duplicates Z: 24 34.654 2.132 0.905 0.814 0.957 0.609 CB 1.415 23 residues pruned to eliminate duplicates Z: 60 33.430 2.110 0.539 0.591 0.949 0.712 CB 1.294 60 residues pruned to eliminate duplicates Z: 59 41.859 2.185 0.669 0.643 0.948 0.534 CB 1.391 56 residues pruned to eliminate duplicates Z: 15 19.879 2.181 0.201 0.883 1.000 0.643 CA 1.467 15 residues pruned to eliminate duplicates Z: 29 18.180 1.970 0.443 0.579 0.893 0.536 CB 1.254 23 residues pruned to eliminate duplicates Z: 116 56.627 2.169 0.685 0.552 0.939 0.591 CB 1.462 116 residues pruned to eliminate duplicates Z: 20 32.152 2.176 0.763 0.920 0.947 0.684 CB 1.430 20 residues pruned to eliminate duplicates Z: 20 32.999 2.113 0.731 0.931 1.000 0.474 CB 1.447 20 residues pruned to eliminate duplicates Z: 39 38.602 2.221 0.819 0.538 0.974 0.553 CA 1.534 39 residues pruned to eliminate duplicates Z: 110 52.368 2.175 0.653 0.538 0.936 0.596 CB 1.436 110 residues pruned to eliminate duplicates Z: 106 49.410 2.137 0.628 0.542 0.952 0.571 CB 1.396 106 residues pruned to eliminate duplicates Z: 9 14.332 1.937 0.809 0.729 1.000 0.500 CB 1.177 9 residues pruned to eliminate duplicates Z: 49 38.112 2.161 0.729 0.541 0.979 0.625 CB 1.444 49 residues pruned to eliminate duplicates Z: 124 60.264 2.173 0.657 0.580 0.943 0.659 CB 1.482 124 residues pruned to eliminate duplicates Z: 8 19.282 2.057 1.230 0.715 0.857 0.714 CA 1.525 10 residues pruned to eliminate duplicates Z: 17 16.799 1.981 0.349 0.916 0.938 0.875 CB 1.184 17 residues pruned to eliminate duplicates Z: 17 16.686 1.795 0.292 0.906 1.000 1.000 CB 1.279 17 residues pruned to eliminate duplicates Z: 9 7.388 1.771 0.265 0.819 0.875 0.500 CB 1.010 9 residues pruned to eliminate duplicates Z: 9 11.892 2.076 0.167 0.827 0.875 0.750 CB 1.494 9 residues pruned to eliminate duplicates Z: 8 12.279 2.250 0.349 0.852 0.857 0.857 CA 1.320 8 residues pruned to eliminate duplicates Z: 81 44.929 2.111 0.650 0.581 0.938 0.588 CB 1.423 81 residues pruned to eliminate duplicates Z: 14 14.077 1.919 0.334 0.760 1.000 0.538 CB 1.211 14 residues pruned to eliminate duplicates Z: 20 32.364 2.139 0.724 0.924 0.947 0.526 CB 1.492 20 residues pruned to eliminate duplicates Z: 19 35.663 2.212 0.830 0.938 1.000 0.778 CB 1.444 19 residues pruned to eliminate duplicates Z: 8 5.667 1.566 0.358 0.660 0.857 0.714 CB 1.013 6 residues pruned to eliminate duplicates Z: 63 42.894 2.176 0.610 0.602 0.935 0.677 CB 1.508 63 residues pruned to eliminate duplicates Z: 9 13.671 2.080 0.902 0.709 0.875 0.625 CB 1.155 9 residues pruned to eliminate duplicates Z: 13 9.625 1.856 0.160 0.715 0.833 0.750 CB 1.274 13 residues pruned to eliminate duplicates Z: 9 9.105 1.649 0.728 0.683 0.750 0.500 CB 1.274 9 residues pruned to eliminate duplicates Z: 64 33.391 2.080 0.646 0.593 0.921 0.619 CB 1.220 64 residues pruned to eliminate duplicates Z: 124 58.611 2.181 0.624 0.556 0.935 0.642 CB 1.511 124 residues pruned to eliminate duplicates Z: 9 22.958 2.004 0.994 0.908 1.000 1.000 CA 1.443 9 residues pruned to eliminate duplicates Z: 6 7.523 1.764 0.237 0.844 1.000 0.800 CB 1.147 6 residues pruned to eliminate duplicates Z: 9 4.493 1.870 0.020 0.588 0.750 0.625 CB 1.021 9 residues pruned to eliminate duplicates Z: 7 9.804 2.169 -0.024 0.829 1.000 0.667 CB 1.423 7 residues pruned to eliminate duplicates Z: 8 19.194 2.133 0.855 0.903 1.000 0.714 CA 1.307 8 residues pruned to eliminate duplicates Z: 106 47.672 2.142 0.577 0.571 0.952 0.676 CB 1.350 106 residues pruned to eliminate duplicates Z: 13 7.444 1.843 0.230 0.546 0.917 0.583 CB 0.989 13 residues pruned to eliminate duplicates Z: 20 37.995 2.090 0.974 0.951 1.000 0.579 CB 1.456 20 residues pruned to eliminate duplicates Z: 32 35.309 2.146 0.829 0.720 0.935 0.677 CB 1.415 24 residues pruned to eliminate duplicates Z: 8 8.478 2.007 0.504 0.786 0.714 0.429 CB 1.155 8 residues pruned to eliminate duplicates Z: 7 10.594 2.078 0.265 0.841 1.000 0.833 CB 1.226 7 residues pruned to eliminate duplicates Z: 19 34.852 2.199 0.877 0.956 0.944 0.667 CB 1.447 19 residues pruned to eliminate duplicates Z: 10 11.913 2.069 -0.063 0.843 1.000 0.778 CB 1.524 10 residues pruned to eliminate duplicates Z: 53 36.649 2.103 0.686 0.550 0.981 0.750 CB 1.391 53 residues pruned to eliminate duplicates Z: 61 40.974 2.192 0.603 0.577 0.950 0.667 CB 1.472 61 residues pruned to eliminate duplicates Z: 16 17.044 1.953 0.721 0.802 0.867 0.667 CB 1.160 18 residues pruned to eliminate duplicates Z: 8 6.905 1.532 0.173 0.694 1.000 0.571 CA 1.216 Z: 8 6.751 1.756 0.144 0.818 0.857 0.571 CA 1.125 8 residues pruned to eliminate duplicates Z: 106 52.130 2.139 0.654 0.591 0.952 0.638 CB 1.383 106 residues pruned to eliminate duplicates Z: 40 24.858 2.039 0.584 0.496 0.923 0.590 CB 1.341 40 residues pruned to eliminate duplicates Z: 59 44.058 2.192 0.722 0.527 0.983 0.586 CB 1.518 59 residues pruned to eliminate duplicates Z: 27 19.082 1.975 0.633 0.467 0.923 0.538 CB 1.300 27 residues pruned to eliminate duplicates Z: 11 16.385 2.018 0.663 0.802 1.000 0.700 CA 1.186 11 residues pruned to eliminate duplicates Z: 26 18.921 1.980 0.571 0.599 0.840 0.520 CB 1.317 25 residues pruned to eliminate duplicates Z: 9 8.914 1.877 0.597 0.697 0.750 0.625 CA 1.171 9 residues pruned to eliminate duplicates Z: 91 52.188 2.170 0.679 0.566 0.956 0.589 CB 1.483 91 residues pruned to eliminate duplicates Z: 50 35.585 2.140 0.742 0.558 0.980 0.551 CB 1.315 50 residues pruned to eliminate duplicates Z: 106 54.242 2.147 0.700 0.591 0.962 0.657 CB 1.382 106 residues pruned to eliminate duplicates Z: 12 13.121 1.967 0.556 0.712 0.818 0.636 CB 1.303 12 residues pruned to eliminate duplicates Z: 18 14.895 1.764 0.228 0.887 1.000 0.647 CB 1.202 18 residues pruned to eliminate duplicates Z: 48 32.681 2.068 0.729 0.619 0.915 0.574 CB 1.303 48 residues pruned to eliminate duplicates Z: 16 16.161 1.840 0.442 0.904 1.000 0.533 CB 1.120 16 residues pruned to eliminate duplicates Z: 11 12.424 1.815 0.137 0.898 1.000 0.800 CB 1.363 11 residues pruned to eliminate duplicates Z: 104 47.282 2.129 0.632 0.560 0.922 0.592 CB 1.371 104 residues pruned to eliminate duplicates Z: 28 22.054 2.031 0.445 0.675 0.926 0.593 CB 1.330 29 residues pruned to eliminate duplicates Z: 8 6.598 1.718 0.040 0.785 1.000 0.857 CB 1.086 Z: 24 21.248 2.018 0.468 0.737 0.913 0.652 CB 1.324 24 residues pruned to eliminate duplicates Z: 8 8.070 1.528 0.698 0.882 0.857 0.429 CB 0.992 8 residues pruned to eliminate duplicates Z: 34 32.915 2.155 0.729 0.736 0.848 0.606 CB 1.467 34 residues pruned to eliminate duplicates Z: 22 25.560 2.183 0.816 0.581 0.905 0.571 CA 1.439 22 residues pruned to eliminate duplicates Z: 16 16.367 1.873 0.206 0.896 1.000 0.933 CB 1.340 16 residues pruned to eliminate duplicates Z: 13 7.494 2.111 0.489 0.581 0.667 0.583 CB 0.955 9 residues pruned to eliminate duplicates Z: 44 28.975 2.078 0.655 0.485 0.953 0.581 CB 1.368 44 residues pruned to eliminate duplicates Z: 106 52.435 2.136 0.658 0.560 0.981 0.619 CB 1.389 106 residues pruned to eliminate duplicates Z: 63 41.150 2.140 0.580 0.575 1.000 0.629 CB 1.438 63 residues pruned to eliminate duplicates Z: 60 35.976 2.176 0.522 0.552 0.932 0.559 CB 1.442 60 residues pruned to eliminate duplicates Z: 10 11.310 1.956 0.189 0.794 1.000 0.778 CB 1.253 10 residues pruned to eliminate duplicates Z: 16 18.020 1.882 0.463 0.884 0.933 0.667 CB 1.308 16 residues pruned to eliminate duplicates Z: 46 30.694 2.130 0.623 0.478 0.911 0.578 CB 1.485 46 residues pruned to eliminate duplicates Z: 107 54.556 2.157 0.703 0.567 0.962 0.632 CB 1.405 107 residues pruned to eliminate duplicates Z: 8 5.900 1.868 0.068 0.828 0.857 0.571 CB 0.982 8 residues pruned to eliminate duplicates Z: 9 14.406 2.000 0.620 0.806 1.000 0.625 CB 1.204 9 residues pruned to eliminate duplicates Z: 12 13.715 2.042 0.127 0.786 1.000 0.636 CB 1.397 12 residues pruned to eliminate duplicates Z: 61 27.281 1.983 0.435 0.497 0.900 0.533 CB 1.380 35 residues pruned to eliminate duplicates Z: 7 4.499 1.640 0.293 0.741 0.833 0.333 CB 0.838 7 residues pruned to eliminate duplicates Z: 9 8.099 1.759 0.690 0.820 0.750 0.750 CB 0.973 9 residues pruned to eliminate duplicates Z: 6 2.704 1.541 -0.205 0.561 1.000 0.600 CB 0.930 Z: 9 16.438 1.958 0.717 0.727 1.000 0.875 CB 1.409 9 residues pruned to eliminate duplicates Z: 108 56.286 2.177 0.677 0.582 0.963 0.729 CB 1.431 108 residues pruned to eliminate duplicates Z: 11 10.636 1.877 0.631 0.745 1.000 0.500 CB 0.882 11 residues pruned to eliminate duplicates Z: 9 14.165 1.948 0.750 0.894 1.000 0.875 CB 1.053 9 residues pruned to eliminate duplicates Z: 16 15.880 2.062 0.549 0.832 0.800 0.800 CB 1.205 16 residues pruned to eliminate duplicates Z: 11 11.068 1.915 0.374 0.765 0.800 0.500 CA 1.314 11 residues pruned to eliminate duplicates Z: 9 11.444 1.828 0.457 0.866 1.000 0.750 CA 1.112 9 residues pruned to eliminate duplicates Z: 9 11.731 2.016 0.460 0.828 1.000 0.750 CB 1.061 9 residues pruned to eliminate duplicates Z: 25 24.432 2.074 0.588 0.592 0.917 0.625 CA 1.512 25 residues pruned to eliminate duplicates Z: 17 16.048 1.771 0.297 0.916 1.000 0.812 CB 1.233 17 residues pruned to eliminate duplicates Z: 13 15.457 1.864 0.587 0.685 1.000 0.750 CB 1.273 12 residues pruned to eliminate duplicates Z: 6 7.776 2.021 0.486 0.790 0.800 0.800 CA 1.122 6 residues pruned to eliminate duplicates Z: 8 13.665 1.953 0.682 0.809 0.857 0.571 CB 1.401 8 residues pruned to eliminate duplicates Z: 60 42.804 2.170 0.644 0.584 0.983 0.678 CB 1.466 60 residues pruned to eliminate duplicates Z: 9 10.747 1.750 0.433 0.715 1.000 0.750 CB 1.247 9 residues pruned to eliminate duplicates Z: 32 32.737 2.127 0.750 0.599 0.935 0.613 CB 1.536 32 residues pruned to eliminate duplicates Z: 8 14.806 1.956 0.630 0.790 1.000 0.714 CA 1.361 8 residues pruned to eliminate duplicates Z: 8 16.206 2.154 0.780 0.785 0.857 0.857 CB 1.451 8 residues pruned to eliminate duplicates Z: 64 41.766 2.182 0.621 0.538 0.921 0.587 CA 1.557 64 residues pruned to eliminate duplicates Z: 15 17.050 1.876 0.343 0.924 1.000 0.714 CB 1.270 15 residues pruned to eliminate duplicates Z: 9 21.752 2.061 1.010 0.899 1.000 0.875 CB 1.328 9 residues pruned to eliminate duplicates Z: 18 20.947 1.773 0.655 0.917 1.000 0.765 CB 1.222 19 residues pruned to eliminate duplicates Z: 9 8.807 2.035 0.075 0.827 0.875 0.750 CB 1.225 9 residues pruned to eliminate duplicates Z: 9 11.623 1.940 1.063 0.562 0.875 0.750 CB 1.105 9 residues pruned to eliminate duplicates Z: 13 22.471 1.936 0.876 0.650 1.000 0.583 CB 1.553 15 residues pruned to eliminate duplicates Z: 15 11.810 2.075 0.009 0.897 0.929 0.929 CB 1.162 15 residues pruned to eliminate duplicates Z: 19 14.628 1.713 0.441 0.843 0.944 0.556 CB 1.101 19 residues pruned to eliminate duplicates Z: 15 25.285 2.177 0.892 0.927 0.929 0.786 CB 1.237 15 residues pruned to eliminate duplicates Z: 6 2.071 1.706 0.141 0.398 0.600 0.600 CB 0.883 6 residues pruned to eliminate duplicates Z: 11 17.992 1.949 0.743 0.866 1.000 0.800 CB 1.225 11 residues pruned to eliminate duplicates Z: 8 12.913 1.670 0.958 0.890 1.000 0.429 CB 1.074 8 residues pruned to eliminate duplicates Z: 37 27.495 2.121 0.699 0.712 0.917 0.722 CB 1.145 30 residues pruned to eliminate duplicates Z: 22 14.521 1.998 0.448 0.645 0.762 0.524 CB 1.256 22 residues pruned to eliminate duplicates Z: 8 9.624 2.122 0.157 0.869 1.000 0.857 CB 1.083 8 residues pruned to eliminate duplicates Z: 125 57.235 2.166 0.660 0.576 0.944 0.685 CB 1.408 125 residues pruned to eliminate duplicates Z: 33 38.513 2.155 0.807 0.739 0.906 0.781 CB 1.557 33 residues pruned to eliminate duplicates Z: 69 44.254 2.154 0.672 0.599 0.956 0.735 CB 1.418 69 residues pruned to eliminate duplicates Z: 47 27.825 2.101 0.551 0.574 0.891 0.717 CB 1.316 47 residues pruned to eliminate duplicates Z: 33 19.866 1.849 0.555 0.582 0.875 0.469 CB 1.290 27 residues pruned to eliminate duplicates Z: 28 35.347 2.286 0.858 0.605 1.000 0.704 CB 1.449 28 residues pruned to eliminate duplicates Z: 15 14.635 1.837 0.111 0.912 1.000 1.000 CB 1.357 15 residues pruned to eliminate duplicates Z: 73 39.917 2.132 0.622 0.556 0.931 0.583 CB 1.384 73 residues pruned to eliminate duplicates Z: 11 15.317 2.150 0.604 0.461 1.000 0.800 CA 1.462 11 residues pruned to eliminate duplicates Z: 16 21.044 1.875 0.512 0.928 1.000 0.733 CB 1.342 16 residues pruned to eliminate duplicates Z: 8 9.604 2.072 0.118 0.854 0.857 0.571 CA 1.350 8 residues pruned to eliminate duplicates Z: 19 13.832 1.691 0.468 0.926 1.000 0.556 CB 0.921 19 residues pruned to eliminate duplicates Z: 14 8.009 1.850 0.674 0.352 0.923 0.462 CB 0.912 14 residues pruned to eliminate duplicates Z: 9 11.942 1.900 0.505 0.811 1.000 0.375 CA 1.126 9 residues pruned to eliminate duplicates Z: 6 9.126 1.651 0.468 0.803 1.000 0.600 O 1.293 7 residues pruned to eliminate duplicates Z: 9 17.245 2.061 0.675 0.868 0.875 0.750 CA 1.476 9 residues pruned to eliminate duplicates Z: 11 13.180 1.619 0.560 0.885 1.000 0.900 CB 1.192 11 residues pruned to eliminate duplicates Z: 11 10.104 1.948 0.527 0.499 0.900 0.700 CB 1.194 8 residues pruned to eliminate duplicates Z: 43 30.463 2.065 0.760 0.656 0.952 0.571 CB 1.175 43 residues pruned to eliminate duplicates Z: 7 3.605 1.813 0.057 0.643 1.000 0.833 CB 0.672 6 residues pruned to eliminate duplicates Z: 9 10.736 1.752 0.728 0.738 0.875 0.750 CB 1.157 9 residues pruned to eliminate duplicates Z: 8 8.407 1.704 0.536 0.864 0.857 0.857 CB 1.038 8 residues pruned to eliminate duplicates Z: 10 19.280 1.952 0.996 0.803 0.889 0.667 CA 1.425 10 residues pruned to eliminate duplicates Z: 17 15.952 1.992 0.277 0.848 0.938 0.688 CB 1.240 17 residues pruned to eliminate duplicates Z: 6 2.393 1.333 0.063 0.449 0.800 0.600 CA 0.995 6 residues pruned to eliminate duplicates Z: 17 15.873 1.770 0.315 0.888 1.000 0.688 CB 1.228 17 residues pruned to eliminate duplicates Z: 26 19.022 1.994 0.470 0.631 0.880 0.480 CB 1.304 26 residues pruned to eliminate duplicates Z: 7 8.293 1.896 0.184 0.864 1.000 0.833 CB 1.106 7 residues pruned to eliminate duplicates Z: 17 17.178 1.982 0.371 0.873 1.000 0.875 CB 1.151 17 residues pruned to eliminate duplicates Z: 6 3.448 1.592 0.645 0.488 0.600 0.600 CA 0.994 6 residues pruned to eliminate duplicates Z: 7 10.621 2.049 0.459 0.740 1.000 0.167 CA 1.171 7 residues pruned to eliminate duplicates Z: 7 8.776 1.931 0.489 0.722 0.833 0.833 CB 1.224 7 residues pruned to eliminate duplicates Z: 11 15.899 2.099 0.448 0.725 1.000 0.800 CB 1.351 11 residues pruned to eliminate duplicates Z: 18 16.868 1.781 0.331 0.867 1.000 0.765 CB 1.263 18 residues pruned to eliminate duplicates Z: 20 15.359 2.076 0.370 0.682 0.895 0.684 CB 1.171 20 residues pruned to eliminate duplicates Z: 9 10.968 1.799 0.518 0.903 1.000 0.500 CB 1.012 9 residues pruned to eliminate duplicates Z: 12 15.881 1.914 0.727 0.611 1.000 0.455 CA 1.304 12 residues pruned to eliminate duplicates Z: 8 8.394 1.787 0.813 0.404 0.857 0.429 N 1.263 8 residues pruned to eliminate duplicates Z: 27 33.371 2.239 0.868 0.628 1.000 0.615 CB 1.387 27 residues pruned to eliminate duplicates Z: 9 7.492 1.790 0.185 0.899 0.875 0.750 CB 1.020 9 residues pruned to eliminate duplicates Z: 8 8.330 1.630 0.362 0.759 1.000 0.714 CA 1.126 8 residues pruned to eliminate duplicates Z: 6 3.895 1.784 0.149 0.391 1.000 0.800 CA 0.953 6 residues pruned to eliminate duplicates Z: 21 37.966 2.045 0.986 0.927 1.000 0.400 CB 1.465 21 residues pruned to eliminate duplicates Z: 10 8.823 1.691 0.326 0.858 1.000 0.778 CB 0.965 6 residues pruned to eliminate duplicates Z: 95 43.510 2.096 0.655 0.543 0.947 0.521 CB 1.310 95 residues pruned to eliminate duplicates Z: 20 26.699 2.091 0.621 0.906 0.895 0.632 CB 1.436 20 residues pruned to eliminate duplicates Z: 79 38.434 2.066 0.642 0.590 0.949 0.628 CB 1.241 79 residues pruned to eliminate duplicates Z: 7 5.518 1.917 0.267 0.357 0.833 0.667 CB 1.299 7 residues pruned to eliminate duplicates Z: 21 29.632 1.998 0.674 0.900 1.000 0.800 CB 1.415 21 residues pruned to eliminate duplicates Z: 15 24.030 2.160 0.447 0.886 1.000 0.714 CA 1.482 15 residues pruned to eliminate duplicates Z: 8 8.780 1.678 0.884 0.702 1.000 0.714 N 0.873 Z: 17 11.677 1.973 0.187 0.847 0.875 0.750 CB 1.058 17 residues pruned to eliminate duplicates Z: 11 6.664 1.860 0.053 0.725 1.000 0.800 CB 0.878 11 residues pruned to eliminate duplicates Z: 13 12.357 1.710 0.942 0.560 0.833 0.667 CA 1.216 13 residues pruned to eliminate duplicates Z: 21 27.410 2.213 0.939 0.616 0.950 0.500 CA 1.348 21 residues pruned to eliminate duplicates Z: 9 20.381 2.048 0.719 0.872 1.000 0.625 CB 1.492 9 residues pruned to eliminate duplicates Z: 12 14.865 2.118 0.715 0.629 0.909 0.727 CB 1.203 15 residues pruned to eliminate duplicates Z: 10 14.615 1.909 0.462 0.810 1.000 0.667 CA 1.333 10 residues pruned to eliminate duplicates Z: 9 11.341 1.923 0.500 0.723 0.875 0.625 CB 1.299 9 residues pruned to eliminate duplicates Z: 9 14.900 2.095 0.497 0.883 1.000 0.875 CB 1.215 9 residues pruned to eliminate duplicates Z: 9 5.515 1.611 0.576 0.685 0.625 0.125 CB 1.037 9 residues pruned to eliminate duplicates Z: 19 15.669 1.746 0.433 0.875 1.000 0.667 CB 1.073 19 residues pruned to eliminate duplicates Z: 8 12.275 1.665 0.751 0.668 1.000 0.429 CA 1.362 8 residues pruned to eliminate duplicates Z: 13 13.647 1.857 0.781 0.619 0.917 0.750 CB 1.162 8 residues pruned to eliminate duplicates Z: 8 10.504 1.995 0.645 0.500 1.000 0.714 CB 1.210 8 residues pruned to eliminate duplicates Z: 14 10.458 1.886 0.467 0.657 0.846 0.462 CB 1.071 14 residues pruned to eliminate duplicates Z: 10 13.175 2.107 0.526 0.546 0.889 0.556 CB 1.470 11 residues pruned to eliminate duplicates Z: 23 18.128 2.029 0.480 0.667 0.955 0.545 CB 1.155 23 residues pruned to eliminate duplicates Z: 8 9.004 1.980 0.544 0.738 0.857 0.571 CA 1.049 8 residues pruned to eliminate duplicates Z: 11 7.690 1.619 0.306 0.746 0.800 0.500 CB 1.154 11 residues pruned to eliminate duplicates Z: 25 37.492 2.108 0.878 0.804 1.000 0.583 CB 1.482 25 residues pruned to eliminate duplicates Z: 48 34.842 2.115 0.601 0.659 0.915 0.553 CB 1.416 48 residues pruned to eliminate duplicates Z: 16 16.844 2.107 0.752 0.896 0.800 0.600 CB 1.055 16 residues pruned to eliminate duplicates Z: 6 5.952 1.712 0.171 0.827 1.000 0.600 CB 1.001 6 residues pruned to eliminate duplicates Z: 16 21.180 2.075 0.688 0.919 0.933 0.600 CB 1.179 16 residues pruned to eliminate duplicates Z: 7 6.751 1.708 0.560 0.631 0.833 0.667 CB 1.098 Z: 8 8.486 1.771 0.353 0.750 1.000 0.571 CB 1.070 8 residues pruned to eliminate duplicates Z: 28 16.620 1.915 0.540 0.368 0.889 0.519 CB 1.406 28 residues pruned to eliminate duplicates Z: 18 18.778 1.812 0.399 0.891 1.000 0.882 CB 1.292 18 residues pruned to eliminate duplicates Z: 16 18.331 2.084 0.633 0.898 0.867 0.800 CB 1.148 16 residues pruned to eliminate duplicates Z: 12 16.314 2.082 0.880 0.881 0.909 0.364 CB 1.001 12 residues pruned to eliminate duplicates Z: 9 15.912 2.149 0.444 0.659 1.000 0.625 CB 1.564 9 residues pruned to eliminate duplicates Z: 9 12.508 1.934 0.636 0.859 1.000 0.875 CB 1.029 9 residues pruned to eliminate duplicates Z: 17 18.256 1.774 0.499 0.906 1.000 0.812 CB 1.221 17 residues pruned to eliminate duplicates Z: 29 18.776 1.953 0.440 0.682 0.893 0.429 CB 1.196 29 residues pruned to eliminate duplicates Z: 13 14.767 1.917 0.661 0.695 1.000 0.750 CB 1.120 13 residues pruned to eliminate duplicates Z: 55 38.150 2.150 0.662 0.597 0.944 0.704 CB 1.402 55 residues pruned to eliminate duplicates Z: 63 38.398 2.160 0.580 0.563 0.919 0.597 CB 1.462 63 residues pruned to eliminate duplicates Z: 15 19.337 2.168 0.698 0.628 0.929 0.571 CB 1.341 15 residues pruned to eliminate duplicates Z: 14 24.324 2.255 0.683 0.682 1.000 0.846 CA 1.504 14 residues pruned to eliminate duplicates Z: 16 16.793 1.861 0.602 0.850 0.933 0.667 CB 1.154 16 residues pruned to eliminate duplicates Z: 6 7.417 1.740 0.270 0.730 1.000 0.600 CA 1.221 6 residues pruned to eliminate duplicates Z: 62 34.930 2.108 0.597 0.600 0.934 0.541 CB 1.292 62 residues pruned to eliminate duplicates Z: 25 31.923 2.185 0.855 0.639 0.958 0.667 CB 1.473 25 residues pruned to eliminate duplicates Z: 9 8.391 1.845 0.469 0.648 0.750 0.750 CA 1.270 9 residues pruned to eliminate duplicates Z: 10 16.152 2.095 0.543 0.626 1.000 0.778 CB 1.478 10 residues pruned to eliminate duplicates Z: 16 14.726 1.858 0.062 0.876 1.000 0.667 CB 1.401 16 residues pruned to eliminate duplicates Z: 10 15.547 1.945 0.642 0.877 1.000 0.889 CB 1.178 10 residues pruned to eliminate duplicates Z: 31 29.427 2.095 0.693 0.714 0.933 0.800 CB 1.337 31 residues pruned to eliminate duplicates Z: 12 14.763 1.812 0.702 0.634 1.000 0.818 CB 1.273 12 residues pruned to eliminate duplicates Z: 24 18.064 2.100 0.535 0.478 0.913 0.609 CB 1.309 24 residues pruned to eliminate duplicates Z: 8 5.165 1.505 0.464 0.356 1.000 0.571 CB 1.035 8 residues pruned to eliminate duplicates Z: 31 29.399 2.220 0.752 0.471 0.967 0.433 CA 1.470 31 residues pruned to eliminate duplicates Z: 26 40.868 2.075 0.904 0.822 1.000 0.800 CB 1.565 27 residues pruned to eliminate duplicates Z: 107 51.358 2.165 0.658 0.574 0.925 0.717 CB 1.399 107 residues pruned to eliminate duplicates Z: 8 9.582 1.708 1.032 0.538 0.857 0.429 CB 1.173 8 residues pruned to eliminate duplicates Z: 59 37.855 2.134 0.603 0.603 0.983 0.741 CB 1.341 59 residues pruned to eliminate duplicates Z: 16 16.960 2.071 0.255 0.848 0.933 0.800 CB 1.339 16 residues pruned to eliminate duplicates Z: 17 23.856 2.039 0.738 0.889 1.000 0.500 CB 1.212 17 residues pruned to eliminate duplicates Z: 20 29.926 2.038 0.951 0.897 1.000 0.579 CB 1.236 20 residues pruned to eliminate duplicates Z: 29 29.720 2.081 0.890 0.712 0.929 0.714 CB 1.269 29 residues pruned to eliminate duplicates Z: 10 9.168 1.743 0.386 0.663 0.889 0.667 CB 1.224 10 residues pruned to eliminate duplicates Z: 10 8.350 1.819 0.296 0.790 0.889 0.333 CB 1.030 10 residues pruned to eliminate duplicates Z: 6 6.703 1.814 0.239 0.535 1.000 0.800 CA 1.289 6 residues pruned to eliminate duplicates Z: 11 10.231 1.856 0.262 0.856 0.900 0.700 CB 1.132 11 residues pruned to eliminate duplicates Z: 8 13.020 2.119 0.678 0.798 0.857 0.571 CB 1.243 8 residues pruned to eliminate duplicates Z: 18 16.794 1.783 0.493 0.889 0.941 0.529 CB 1.170 18 residues pruned to eliminate duplicates Z: 125 58.993 2.165 0.640 0.576 0.952 0.629 CB 1.458 125 residues pruned to eliminate duplicates Z: 10 20.534 2.289 0.710 0.803 1.000 0.778 CA 1.342 10 residues pruned to eliminate duplicates Z: 18 14.851 1.763 0.219 0.869 1.000 0.647 CB 1.224 18 residues pruned to eliminate duplicates Z: 8 15.438 2.228 0.487 0.864 1.000 0.714 CA 1.292 8 residues pruned to eliminate duplicates Z: 59 33.542 2.028 0.724 0.562 0.879 0.603 CB 1.348 59 residues pruned to eliminate duplicates Z: 105 53.406 2.163 0.654 0.566 0.933 0.663 CB 1.472 105 residues pruned to eliminate duplicates Z: 7 5.449 2.001 0.146 0.758 0.667 0.500 CB 1.157 7 residues pruned to eliminate duplicates Z: 20 31.794 2.116 0.716 0.914 0.947 0.632 CB 1.500 20 residues pruned to eliminate duplicates Z: 6 4.262 1.637 0.265 0.779 0.800 0.600 CA 0.900 6 residues pruned to eliminate duplicates Z: 17 12.715 1.955 0.399 0.462 0.938 0.562 CB 1.289 17 residues pruned to eliminate duplicates Z: 9 19.759 2.020 0.619 0.860 1.000 0.875 CA 1.570 9 residues pruned to eliminate duplicates Z: 6 8.280 2.004 0.534 0.571 1.000 0.800 CA 1.125 6 residues pruned to eliminate duplicates Z: 9 21.586 2.036 1.001 0.854 1.000 0.875 CA 1.384 9 residues pruned to eliminate duplicates Z: 9 17.284 2.160 0.466 0.799 1.000 0.750 CB 1.486 9 residues pruned to eliminate duplicates Z: 34 21.524 1.999 0.509 0.669 0.939 0.636 CB 1.131 34 residues pruned to eliminate duplicates Z: 19 14.471 1.710 0.414 0.906 1.000 0.722 CB 1.003 19 residues pruned to eliminate duplicates Z: 6 4.232 1.554 -0.070 0.706 1.000 0.400 CB 1.086 6 residues pruned to eliminate duplicates Z: 8 4.733 1.593 0.316 0.690 0.857 0.714 CB 0.837 8 residues pruned to eliminate duplicates Z: 9 7.258 1.649 0.449 0.275 1.000 0.250 CB 1.386 8 residues pruned to eliminate duplicates Z: 53 30.289 2.070 0.376 0.666 0.904 0.577 CB 1.399 68 residues pruned to eliminate duplicates Z: 14 16.170 1.968 0.473 0.796 0.923 0.385 CB 1.293 14 residues pruned to eliminate duplicates Z: 6 4.685 1.309 0.461 0.712 0.800 0.600 N 1.130 6 residues pruned to eliminate duplicates Z: 19 18.630 1.769 0.601 0.927 1.000 0.889 CB 1.087 19 residues pruned to eliminate duplicates Z: 19 31.419 2.225 0.541 0.935 0.944 0.722 CB 1.593 19 residues pruned to eliminate duplicates Z: 23 26.339 2.153 0.876 0.524 0.955 0.591 CB 1.423 23 residues pruned to eliminate duplicates Z: 10 6.899 1.617 0.173 0.701 1.000 0.667 CA 1.010 10 residues pruned to eliminate duplicates Z: 48 28.434 2.093 0.632 0.563 0.894 0.511 CB 1.278 48 residues pruned to eliminate duplicates Z: 8 8.487 1.641 1.043 0.596 0.857 0.714 CB 1.019 Z: 10 15.865 1.903 0.444 0.903 1.000 0.889 CA 1.371 10 residues pruned to eliminate duplicates Z: 33 30.611 2.173 0.729 0.595 0.969 0.688 CB 1.358 33 residues pruned to eliminate duplicates Z: 9 23.700 2.086 0.907 0.927 1.000 0.750 CB 1.476 9 residues pruned to eliminate duplicates Z: 17 16.366 1.975 0.620 0.869 0.938 0.625 CB 0.996 17 residues pruned to eliminate duplicates Z: 85 49.534 2.155 0.687 0.612 0.940 0.571 CB 1.421 84 residues pruned to eliminate duplicates Z: 18 15.765 1.854 0.569 0.583 0.941 0.824 CB 1.289 18 residues pruned to eliminate duplicates Z: 12 7.273 1.738 0.133 0.531 0.818 0.545 CB 1.320 11 residues pruned to eliminate duplicates Z: 91 53.659 2.146 0.766 0.579 0.978 0.567 CB 1.414 91 residues pruned to eliminate duplicates Z: 25 22.773 2.194 0.643 0.452 0.958 0.583 CB 1.413 25 residues pruned to eliminate duplicates Z: 45 32.120 2.150 0.672 0.540 0.932 0.568 CB 1.390 45 residues pruned to eliminate duplicates Z: 54 31.387 2.027 0.504 0.657 0.849 0.642 CB 1.439 56 residues pruned to eliminate duplicates Z: 6 4.483 1.824 0.002 0.557 1.000 0.600 CB 1.037 6 residues pruned to eliminate duplicates Z: 29 19.214 1.963 0.574 0.600 0.893 0.607 CB 1.197 29 residues pruned to eliminate duplicates Z: 9 20.513 1.976 0.823 0.891 1.000 0.375 CB 1.447 8 residues pruned to eliminate duplicates Z: 9 13.627 1.980 0.701 0.914 1.000 0.625 CB 1.012 9 residues pruned to eliminate duplicates Z: 12 16.795 2.070 0.537 0.822 1.000 0.455 CB 1.204 12 residues pruned to eliminate duplicates Z: 11 9.448 2.008 0.261 0.768 0.800 0.500 CA 1.163 11 residues pruned to eliminate duplicates Z: 16 17.395 2.069 0.472 0.899 0.933 0.800 CB 1.129 16 residues pruned to eliminate duplicates Z: 18 16.499 1.976 0.567 0.843 0.824 0.647 CB 1.169 18 residues pruned to eliminate duplicates Z: 7 7.400 1.978 0.285 0.873 0.833 0.333 CB 1.039 7 residues pruned to eliminate duplicates Z: 7 9.368 1.934 0.557 0.879 1.000 0.333 CB 0.921 7 residues pruned to eliminate duplicates Z: 40 31.925 2.208 0.733 0.524 0.949 0.615 CB 1.376 40 residues pruned to eliminate duplicates Z: 25 18.161 1.973 0.602 0.535 0.958 0.625 CB 1.182 25 residues pruned to eliminate duplicates Z: 6 4.315 1.731 0.220 0.572 0.800 0.600 CB 1.066 6 residues pruned to eliminate duplicates Z: 9 19.142 2.116 0.503 0.887 1.000 0.875 CB 1.535 9 residues pruned to eliminate duplicates Z: 31 30.629 2.169 0.770 0.559 0.967 0.633 CB 1.422 31 residues pruned to eliminate duplicates Z: 10 18.677 1.956 0.678 0.891 1.000 0.444 CB 1.364 10 residues pruned to eliminate duplicates Z: 27 32.961 2.185 0.856 0.585 1.000 0.500 CA 1.470 27 residues pruned to eliminate duplicates Z: 9 12.415 2.008 0.953 0.651 1.000 0.750 CB 0.973 9 residues pruned to eliminate duplicates Z: 21 33.325 2.087 0.871 0.898 0.950 0.500 CB 1.437 21 residues pruned to eliminate duplicates Z: 15 17.905 2.045 0.533 0.899 1.000 0.786 CB 1.091 15 residues pruned to eliminate duplicates Z: 26 26.414 2.149 0.780 0.512 0.920 0.480 CA 1.483 26 residues pruned to eliminate duplicates Z: 20 34.060 2.151 0.995 0.942 0.947 0.263 CB 1.333 20 residues pruned to eliminate duplicates Z: 23 21.581 1.971 0.608 0.552 1.000 0.773 CB 1.379 23 residues pruned to eliminate duplicates Z: 9 10.194 1.954 0.371 0.724 0.875 0.625 CA 1.256 9 residues pruned to eliminate duplicates Z: 8 7.665 1.769 0.399 0.723 1.000 0.714 CB 0.957 8 residues pruned to eliminate duplicates Z: 14 16.046 1.886 0.561 0.752 0.923 0.615 CB 1.308 14 residues pruned to eliminate duplicates Z: 14 16.384 1.802 0.842 0.625 0.923 0.769 CB 1.318 14 residues pruned to eliminate duplicates Z: 13 17.771 1.859 0.681 0.670 1.000 0.917 CA 1.403 13 residues pruned to eliminate duplicates Z: 15 8.041 1.684 0.251 0.588 0.786 0.571 CB 1.193 15 residues pruned to eliminate duplicates 6 1.941 1.690 0.213 0.327 0.600 0.200 CA 0.853 ? Z: 9 10.661 1.896 0.475 0.551 0.875 0.750 CB 1.465 9 residues pruned to eliminate duplicates Z: 9 14.576 2.042 0.179 0.879 1.000 0.875 CA 1.552 9 residues pruned to eliminate duplicates Z: 23 17.712 2.072 0.579 0.496 0.909 0.591 CB 1.275 23 residues pruned to eliminate duplicates Z: 20 29.967 2.105 0.559 0.934 1.000 1.000 CB 1.461 20 residues pruned to eliminate duplicates Z: 19 17.521 1.910 0.517 0.570 0.944 0.667 CB 1.410 19 residues pruned to eliminate duplicates Z: 6 5.138 1.789 0.989 0.783 1.000 0.800 CB 0.503 6 residues pruned to eliminate duplicates Z: 9 14.038 2.033 0.774 0.746 0.875 0.500 CB 1.263 9 residues pruned to eliminate duplicates Z: 27 21.090 2.012 0.572 0.520 0.923 0.538 CB 1.389 27 residues pruned to eliminate duplicates Z: 9 15.425 1.880 0.610 0.885 1.000 1.000 CA 1.301 9 residues pruned to eliminate duplicates 6 0.999 1.460 0.043 0.464 0.800 0.800 CB 0.380 ? Z: 10 6.953 1.844 0.540 0.417 0.778 0.444 CB 1.145 10 residues pruned to eliminate duplicates Z: 10 6.827 1.616 0.418 0.693 0.778 0.556 CA 1.070 10 residues pruned to eliminate duplicates Z: 17 16.199 1.783 0.366 0.926 1.000 0.812 CB 1.166 17 residues pruned to eliminate duplicates Z: 11 13.388 1.934 0.282 0.797 0.900 0.600 CB 1.463 11 residues pruned to eliminate duplicates Z: 9 11.230 2.029 0.459 0.742 0.875 0.625 CA 1.234 9 residues pruned to eliminate duplicates Z: 6 5.153 1.908 0.633 0.815 0.600 0.200 CB 0.938 Z: 33 24.767 2.022 0.529 0.604 0.906 0.469 CB 1.414 33 residues pruned to eliminate duplicates Z: 8 3.718 1.569 0.355 0.473 0.571 0.429 CB 1.189 8 residues pruned to eliminate duplicates Z: 19 20.160 1.765 0.734 0.927 1.000 0.833 CB 1.088 19 residues pruned to eliminate duplicates Z: 32 33.743 2.118 0.865 0.748 0.903 0.677 CB 1.361 32 residues pruned to eliminate duplicates Z: 80 41.619 2.087 0.689 0.515 0.924 0.481 CB 1.416 80 residues pruned to eliminate duplicates Z: 75 40.880 2.116 0.685 0.549 0.932 0.649 CB 1.362 75 residues pruned to eliminate duplicates Z: 11 19.841 2.018 0.768 0.716 0.900 0.800 CB 1.607 11 residues pruned to eliminate duplicates Z: 6 3.381 1.506 0.009 0.638 0.800 0.800 CB 1.094 Z: 20 24.848 2.088 0.662 0.927 0.947 0.684 CB 1.215 20 residues pruned to eliminate duplicates Z: 10 14.104 2.002 0.319 0.872 1.000 0.778 CB 1.297 10 residues pruned to eliminate duplicates Z: 108 54.570 2.141 0.690 0.571 0.953 0.579 CB 1.428 108 residues pruned to eliminate duplicates Z: 6 12.422 2.116 0.572 0.677 1.000 0.400 CB 1.418 6 residues pruned to eliminate duplicates Z: 14 13.716 1.856 0.751 0.598 0.846 0.692 CB 1.260 14 residues pruned to eliminate duplicates Z: 9 18.503 2.135 0.356 0.880 1.000 0.750 CA 1.637 9 residues pruned to eliminate duplicates Z: 24 24.714 2.095 0.828 0.597 0.957 0.739 CB 1.282 24 residues pruned to eliminate duplicates Z: 33 31.107 2.044 0.731 0.704 0.938 0.469 CB 1.376 33 residues pruned to eliminate duplicates Z: 16 10.595 1.812 0.126 0.567 0.933 0.667 CA 1.346 16 residues pruned to eliminate duplicates Z: 9 9.544 1.888 0.276 0.845 0.875 0.625 CA 1.190 9 residues pruned to eliminate duplicates Z: 19 10.602 1.959 0.578 0.367 0.778 0.389 CB 1.198 19 residues pruned to eliminate duplicates Z: 26 41.095 2.106 0.849 0.808 1.000 0.600 CB 1.613 26 residues pruned to eliminate duplicates Z: 13 18.473 1.741 0.838 0.921 1.000 0.750 CB 1.173 13 residues pruned to eliminate duplicates Z: 14 12.866 1.803 0.395 0.804 1.000 0.615 CB 1.088 14 residues pruned to eliminate duplicates Z: 14 12.204 1.941 0.236 0.548 1.000 0.615 CB 1.345 14 residues pruned to eliminate duplicates Z: 10 13.921 1.965 0.567 0.815 1.000 0.667 CA 1.146 11 residues pruned to eliminate duplicates Z: 10 4.978 1.556 0.467 0.440 0.889 0.778 CA 0.870 10 residues pruned to eliminate duplicates Z: 12 24.030 2.103 0.793 0.857 1.000 0.455 CA 1.416 12 residues pruned to eliminate duplicates Z: 26 39.986 2.129 0.769 0.807 1.000 0.720 CB 1.625 26 residues pruned to eliminate duplicates Z: 22 17.044 1.965 0.438 0.658 0.810 0.571 CB 1.404 22 residues pruned to eliminate duplicates Z: 14 14.141 2.019 0.272 0.767 0.846 0.462 CB 1.425 14 residues pruned to eliminate duplicates Z: 6 6.892 1.642 0.629 0.800 1.000 0.800 CB 0.887 Z: 7 14.417 2.116 0.368 0.823 1.000 0.833 CB 1.537 7 residues pruned to eliminate duplicates Z: 12 5.507 1.543 0.636 0.243 0.818 0.455 CB 1.082 Z: 7 8.129 1.713 0.520 0.489 1.000 0.500 CB 1.289 7 residues pruned to eliminate duplicates Z: 12 4.112 1.496 0.399 0.334 0.818 0.636 N 0.869 Z: 33 30.341 2.153 1.018 0.575 0.906 0.688 CB 1.266 33 residues pruned to eliminate duplicates Z: 8 20.120 2.082 1.172 0.801 1.000 0.857 CB 1.293 10 residues pruned to eliminate duplicates Z: 6 8.000 1.550 0.403 0.825 1.000 0.800 O 1.242 8 residues pruned to eliminate duplicates Z: 9 11.991 1.968 0.516 0.795 0.875 0.625 CA 1.254 9 residues pruned to eliminate duplicates Z: 9 10.695 1.877 0.310 0.829 1.000 0.750 CA 1.157 9 residues pruned to eliminate duplicates Z: 8 9.197 1.914 0.606 0.431 1.000 0.714 CA 1.215 8 residues pruned to eliminate duplicates Z: 9 17.842 2.114 0.643 0.829 1.000 0.750 CB 1.366 9 residues pruned to eliminate duplicates Z: 104 54.066 2.171 0.673 0.567 0.971 0.631 CB 1.416 104 residues pruned to eliminate duplicates Z: 6 7.187 1.610 0.442 0.744 1.000 0.600 CA 1.112 5 residues pruned to eliminate duplicates Z: 8 10.671 2.044 0.533 0.679 0.857 0.571 CA 1.273 8 residues pruned to eliminate duplicates Z: 25 34.582 2.093 0.907 0.783 0.917 0.542 CB 1.504 25 residues pruned to eliminate duplicates Z: 51 35.011 2.136 0.513 0.606 0.900 0.640 CB 1.539 51 residues pruned to eliminate duplicates Z: 17 18.088 1.782 0.643 0.907 1.000 0.438 CB 1.098 17 residues pruned to eliminate duplicates Z: 7 11.337 1.801 0.671 0.849 0.833 0.667 CB 1.368 7 residues pruned to eliminate duplicates Z: 34 29.490 2.109 0.716 0.520 0.970 0.667 CB 1.434 34 residues pruned to eliminate duplicates Z: 10 15.412 1.932 0.657 0.839 1.000 0.778 CA 1.198 10 residues pruned to eliminate duplicates Z: 15 18.528 1.913 0.585 0.855 0.929 0.429 CB 1.298 15 residues pruned to eliminate duplicates Z: 11 17.926 2.131 0.548 0.614 1.000 0.800 CB 1.543 11 residues pruned to eliminate duplicates Z: 10 9.282 2.017 0.313 0.683 0.778 0.333 CA 1.270 10 residues pruned to eliminate duplicates Z: 53 33.237 2.006 0.620 0.686 0.904 0.481 CB 1.323 53 residues pruned to eliminate duplicates Z: 8 10.523 1.666 0.513 0.849 1.000 0.571 CB 1.170 8 residues pruned to eliminate duplicates Z: 10 16.317 1.963 0.739 0.810 0.889 0.556 CA 1.369 10 residues pruned to eliminate duplicates Z: 34 19.253 1.969 0.347 0.675 0.970 0.727 CB 1.109 34 residues pruned to eliminate duplicates Z: 90 55.118 2.172 0.747 0.585 0.966 0.551 CB 1.469 90 residues pruned to eliminate duplicates Z: 21 20.982 2.036 0.667 0.557 0.900 0.700 CB 1.454 21 residues pruned to eliminate duplicates Z: 14 13.565 2.049 0.444 0.588 0.846 0.769 CB 1.381 14 residues pruned to eliminate duplicates Z: 8 7.292 1.833 0.322 0.875 1.000 0.429 CB 0.827 8 residues pruned to eliminate duplicates Z: 7 7.731 1.817 0.329 0.760 0.833 0.500 CA 1.245 7 residues pruned to eliminate duplicates Z: 6 5.304 1.660 -0.041 0.766 1.000 1.000 CB 1.176 6 residues pruned to eliminate duplicates Z: 20 23.129 2.150 0.806 0.585 0.895 0.684 CB 1.408 20 residues pruned to eliminate duplicates Z: 11 20.459 1.935 0.654 0.753 1.000 0.400 CA 1.613 18 residues pruned to eliminate duplicates Z: 9 10.826 1.952 0.496 0.868 1.000 0.875 CB 0.959 9 residues pruned to eliminate duplicates Z: 23 23.289 2.138 0.630 0.586 0.955 0.773 CB 1.374 23 residues pruned to eliminate duplicates Z: 18 19.693 1.729 0.506 0.891 1.000 0.824 CB 1.318 18 residues pruned to eliminate duplicates Z: 98 53.586 2.190 0.717 0.556 0.938 0.691 CB 1.461 98 residues pruned to eliminate duplicates Z: 6 7.889 1.607 0.548 0.877 1.000 0.600 CB 1.030 5 residues pruned to eliminate duplicates Z: 66 35.958 2.056 0.590 0.579 0.938 0.554 CB 1.348 66 residues pruned to eliminate duplicates Z: 7 5.404 1.696 0.652 0.528 1.000 0.833 CB 0.766 Z: 54 35.529 2.090 0.667 0.599 0.981 0.717 CB 1.299 54 residues pruned to eliminate duplicates Z: 18 16.304 1.808 0.408 0.911 1.000 1.000 CB 1.100 18 residues pruned to eliminate duplicates Z: 26 19.706 2.028 0.554 0.625 0.880 0.600 CB 1.263 26 residues pruned to eliminate duplicates Z: 24 31.491 2.121 0.987 0.766 0.913 0.522 CB 1.348 24 residues pruned to eliminate duplicates Z: 9 16.096 1.998 0.693 0.858 1.000 0.750 CA 1.239 9 residues pruned to eliminate duplicates Z: 7 2.134 1.286 0.594 0.422 0.833 0.500 CB 0.553 7 residues pruned to eliminate duplicates Z: 24 36.447 2.158 0.865 0.783 1.000 0.783 CB 1.471 24 residues pruned to eliminate duplicates Z: 17 13.584 1.808 0.349 0.597 0.938 0.562 CB 1.354 17 residues pruned to eliminate duplicates Z: 14 11.804 2.152 0.338 0.510 0.846 0.692 CB 1.330 14 residues pruned to eliminate duplicates Z: 8 4.764 1.870 0.181 0.691 0.857 0.286 CB 0.799 8 residues pruned to eliminate duplicates Z: 7 2.489 1.475 0.127 0.266 0.833 0.500 CB 0.957 7 residues pruned to eliminate duplicates Z: 7 4.781 1.459 0.846 0.726 0.833 0.667 N 0.709 Z: 6 3.378 1.313 0.138 0.439 1.000 1.000 CB 1.077 Z: 73 43.475 2.176 0.634 0.563 0.944 0.556 CB 1.435 73 residues pruned to eliminate duplicates Z: 8 6.484 1.833 0.288 0.731 1.000 0.571 CA 0.844 8 residues pruned to eliminate duplicates Z: 10 9.117 1.871 0.216 0.707 0.889 0.222 CA 1.245 10 residues pruned to eliminate duplicates Z: 17 19.043 2.018 0.421 0.889 0.938 0.812 CB 1.275 17 residues pruned to eliminate duplicates Z: 48 33.260 2.171 0.644 0.490 0.915 0.574 CB 1.501 48 residues pruned to eliminate duplicates Z: 30 22.654 1.960 0.463 0.672 0.897 0.483 CB 1.396 27 residues pruned to eliminate duplicates Z: 16 14.246 1.929 0.511 0.583 0.933 0.667 CB 1.249 16 residues pruned to eliminate duplicates Z: 7 2.293 1.453 0.170 0.725 0.833 0.833 CB 0.539 Z: 19 19.237 1.998 0.803 0.690 0.778 0.500 CB 1.359 19 residues pruned to eliminate duplicates Z: 50 39.332 2.147 0.587 0.705 0.939 0.755 CB 1.458 50 residues pruned to eliminate duplicates Z: 6 6.733 1.819 0.181 0.837 1.000 0.800 CB 1.049 12 residues pruned to eliminate duplicates Z: 7 12.286 1.986 0.642 0.875 1.000 0.333 CB 1.119 7 residues pruned to eliminate duplicates Z: 10 8.326 1.510 0.376 0.835 1.000 0.667 CB 1.000 10 residues pruned to eliminate duplicates Z: 8 11.573 2.118 0.429 0.859 0.714 0.143 CB 1.489 8 residues pruned to eliminate duplicates Z: 49 33.184 2.088 0.520 0.621 0.979 0.708 CB 1.375 49 residues pruned to eliminate duplicates Z: 19 27.581 2.143 0.744 0.914 0.944 0.556 CB 1.303 19 residues pruned to eliminate duplicates Z: 10 12.367 2.095 0.403 0.786 0.889 0.556 CB 1.227 10 residues pruned to eliminate duplicates Z: 19 18.943 1.752 0.811 0.908 0.944 0.722 CB 1.058 19 residues pruned to eliminate duplicates Z: 122 59.126 2.165 0.669 0.570 0.950 0.694 CB 1.462 122 residues pruned to eliminate duplicates Z: 13 12.100 1.872 0.656 0.824 0.833 0.500 CB 1.022 13 residues pruned to eliminate duplicates Z: 6 5.234 1.723 0.539 0.659 0.600 0.600 CB 1.270 6 residues pruned to eliminate duplicates Z: 8 6.501 1.689 0.196 0.699 1.000 0.714 CB 1.015 8 residues pruned to eliminate duplicates Z: 43 31.025 2.129 0.640 0.501 0.929 0.524 CB 1.476 43 residues pruned to eliminate duplicates Z: 9 18.697 2.075 0.767 0.896 0.875 0.625 CB 1.477 9 residues pruned to eliminate duplicates Z: 91 48.458 2.141 0.677 0.564 0.944 0.589 CB 1.416 91 residues pruned to eliminate duplicates Z: 20 22.756 2.003 0.604 0.712 0.947 0.526 CB 1.415 20 residues pruned to eliminate duplicates Z: 7 9.537 2.138 0.203 0.717 1.000 0.500 CB 1.244 7 residues pruned to eliminate duplicates Z: 16 19.559 1.995 0.579 0.857 1.000 0.667 CB 1.181 16 residues pruned to eliminate duplicates Z: 19 19.741 1.767 0.816 0.928 1.000 0.944 CB 1.015 19 residues pruned to eliminate duplicates Z: 10 8.312 1.753 0.600 0.766 0.889 0.444 CB 0.878 10 residues pruned to eliminate duplicates Z: 13 19.925 2.165 0.374 0.908 0.917 0.917 CB 1.498 13 residues pruned to eliminate duplicates Z: 36 30.338 2.107 0.831 0.660 0.943 0.571 CB 1.216 36 residues pruned to eliminate duplicates Z: 8 7.120 1.589 0.526 0.601 1.000 0.429 CB 1.008 6 residues pruned to eliminate duplicates Z: 66 45.626 2.142 0.630 0.615 0.954 0.738 CB 1.524 66 residues pruned to eliminate duplicates Z: 8 6.651 1.466 0.355 0.685 1.000 0.571 CB 1.069 Z: 14 8.771 1.957 0.035 0.477 0.923 0.692 CB 1.331 14 residues pruned to eliminate duplicates Z: 10 10.452 1.858 0.415 0.781 0.889 0.778 CB 1.164 10 residues pruned to eliminate duplicates Z: 30 26.548 2.069 0.772 0.499 1.000 0.517 CA 1.346 30 residues pruned to eliminate duplicates Z: 6 6.081 2.010 0.256 0.820 1.000 0.800 CB 0.816 6 residues pruned to eliminate duplicates Z: 13 13.215 1.840 0.225 0.746 1.000 0.750 CB 1.358 13 residues pruned to eliminate duplicates Z: 12 2.123 1.505 0.125 0.308 0.727 0.364 CB 0.643 Z: 18 12.122 1.646 0.283 0.877 1.000 0.765 CB 1.012 18 residues pruned to eliminate duplicates Z: 8 6.600 1.825 0.233 0.741 0.714 0.714 CA 1.250 8 residues pruned to eliminate duplicates Z: 19 19.009 1.759 0.647 0.916 1.000 0.944 CB 1.092 19 residues pruned to eliminate duplicates Z: 10 4.165 1.707 -0.022 0.264 0.889 0.556 CB 1.225 8 residues pruned to eliminate duplicates Z: 7 10.455 1.853 0.337 0.795 1.000 0.667 CA 1.331 7 residues pruned to eliminate duplicates Z: 10 12.586 2.019 0.600 0.414 1.000 0.333 CA 1.420 10 residues pruned to eliminate duplicates Z: 39 28.382 2.114 0.674 0.485 0.895 0.579 CB 1.477 39 residues pruned to eliminate duplicates Z: 19 19.241 1.717 0.633 0.918 1.000 0.889 CB 1.141 19 residues pruned to eliminate duplicates Z: 8 11.206 1.937 0.605 0.760 1.000 0.571 CA 1.081 8 residues pruned to eliminate duplicates Z: 17 18.630 1.796 0.350 0.924 1.000 0.938 CB 1.349 17 residues pruned to eliminate duplicates Z: 29 26.685 2.122 0.787 0.557 0.893 0.643 CB 1.409 29 residues pruned to eliminate duplicates Z: 21 10.675 1.826 0.561 0.483 0.800 0.600 CB 1.065 21 residues pruned to eliminate duplicates Z: 79 44.140 2.142 0.573 0.599 0.936 0.577 CB 1.442 79 residues pruned to eliminate duplicates Z: 10 7.220 1.481 0.312 0.733 0.889 0.667 CB 1.130 8 residues pruned to eliminate duplicates Z: 19 16.404 1.756 0.629 0.861 0.944 0.722 CB 1.052 19 residues pruned to eliminate duplicates Z: 16 13.527 1.937 0.436 0.731 0.867 0.400 CB 1.177 16 residues pruned to eliminate duplicates Z: 21 29.228 2.029 0.943 0.897 0.900 0.450 CB 1.318 21 residues pruned to eliminate duplicates Z: 18 20.192 1.762 0.797 0.923 1.000 0.588 CB 1.087 18 residues pruned to eliminate duplicates Z: 8 17.079 2.149 0.953 0.779 0.857 0.857 CB 1.403 8 residues pruned to eliminate duplicates Z: 8 3.279 1.663 -0.042 0.531 1.000 0.571 CB 0.755 Z: 9 5.024 1.445 0.302 0.693 0.875 0.625 CB 0.904 8 residues pruned to eliminate duplicates Z: 36 35.704 2.169 0.730 0.690 0.914 0.629 CB 1.479 36 residues pruned to eliminate duplicates Z: 33 24.559 2.157 0.596 0.652 0.906 0.688 CB 1.207 33 residues pruned to eliminate duplicates Z: 25 33.508 2.156 0.983 0.602 1.000 0.625 CB 1.452 25 residues pruned to eliminate duplicates Z: 8 10.882 1.935 0.553 0.855 0.857 0.714 CB 1.178 8 residues pruned to eliminate duplicates Z: 8 8.459 1.698 0.267 0.869 1.000 0.714 CB 1.086 8 residues pruned to eliminate duplicates Z: 76 43.954 2.166 0.694 0.527 0.973 0.667 CB 1.383 76 residues pruned to eliminate duplicates Z: 101 52.751 2.147 0.751 0.610 0.940 0.670 CB 1.345 101 residues pruned to eliminate duplicates Z: 10 3.762 1.797 -0.102 0.242 0.778 0.556 CB 1.347 10 residues pruned to eliminate duplicates Z: 20 21.133 2.013 0.668 0.891 0.895 0.421 CB 1.160 20 residues pruned to eliminate duplicates Z: 7 5.952 1.686 0.169 0.751 0.833 0.500 CA 1.183 7 residues pruned to eliminate duplicates Z: 15 9.278 1.811 0.511 0.625 0.786 0.571 CB 1.025 15 residues pruned to eliminate duplicates Z: 13 8.137 1.868 0.334 0.612 0.917 0.583 CB 0.925 13 residues pruned to eliminate duplicates Z: 7 6.479 1.495 0.352 0.741 1.000 0.667 CB 1.054 7 residues pruned to eliminate duplicates Z: 7 5.941 1.494 0.862 0.533 0.833 0.833 CB 1.013 7 residues pruned to eliminate duplicates Z: 8 14.763 2.069 0.774 0.887 0.857 0.429 CB 1.279 8 residues pruned to eliminate duplicates Z: 102 55.128 2.187 0.728 0.578 0.960 0.584 CB 1.402 102 residues pruned to eliminate duplicates Z: 7 2.706 1.665 0.235 0.484 1.000 0.500 CB 0.546 7 residues pruned to eliminate duplicates Z: 54 32.548 2.107 0.545 0.504 0.943 0.528 CB 1.450 54 residues pruned to eliminate duplicates Z: 41 31.757 2.115 0.711 0.581 0.950 0.725 CB 1.351 41 residues pruned to eliminate duplicates Z: 10 21.454 1.941 1.234 0.809 1.000 0.889 CA 1.260 10 residues pruned to eliminate duplicates Z: 7 2.603 1.528 0.275 0.361 0.833 0.500 CB 0.760 Z: 33 39.372 2.176 0.747 0.728 0.969 0.656 CB 1.539 33 residues pruned to eliminate duplicates Z: 26 14.457 1.864 0.650 0.459 0.800 0.440 CB 1.225 26 residues pruned to eliminate duplicates Z: 80 47.889 2.175 0.787 0.534 0.962 0.608 CB 1.394 80 residues pruned to eliminate duplicates Z: 9 6.972 1.688 0.154 0.720 0.875 0.625 CB 1.185 9 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 17 19.624 1.995 0.732 0.756 1.000 0.375 CB 1.130 17 residues pruned to eliminate duplicates Z: 17 17.907 1.962 0.730 0.686 0.938 0.562 CB 1.186 17 residues pruned to eliminate duplicates Z: 22 16.099 1.953 0.717 0.476 0.810 0.429 CB 1.326 22 residues pruned to eliminate duplicates Z: 23 16.105 1.964 0.394 0.569 0.864 0.545 CA 1.358 23 residues pruned to eliminate duplicates Z: 29 18.607 1.989 0.478 0.619 0.893 0.429 CB 1.198 29 residues pruned to eliminate duplicates Z: 23 24.347 2.104 0.702 0.689 0.909 0.500 CB 1.341 23 residues pruned to eliminate duplicates Z: 22 19.804 2.135 0.453 0.705 0.905 0.524 CB 1.278 22 residues pruned to eliminate duplicates Z: 29 21.379 2.016 0.375 0.633 1.000 0.536 CB 1.286 29 residues pruned to eliminate duplicates Z: 25 23.795 2.081 0.598 0.693 0.917 0.375 CB 1.336 25 residues pruned to eliminate duplicates Z: 25 19.090 2.041 0.413 0.639 0.875 0.417 CB 1.355 25 residues pruned to eliminate duplicates Z: 27 21.015 2.099 0.608 0.611 0.846 0.462 CB 1.299 27 residues pruned to eliminate duplicates Z: 28 19.356 2.057 0.430 0.640 0.815 0.481 CB 1.363 28 residues pruned to eliminate duplicates Z: 26 15.692 2.000 0.439 0.583 0.800 0.520 CB 1.259 26 residues pruned to eliminate duplicates Z: 23 21.234 2.065 0.419 0.718 0.909 0.636 CB 1.395 23 residues pruned to eliminate duplicates Z: 28 22.284 2.060 0.520 0.628 0.926 0.630 CB 1.311 28 residues pruned to eliminate duplicates Z: 50 35.160 2.098 0.568 0.689 0.918 0.612 CB 1.399 50 residues pruned to eliminate duplicates Z: 20 15.615 2.094 0.264 0.631 0.895 0.526 CB 1.338 20 residues pruned to eliminate duplicates Z: 23 21.240 2.130 0.492 0.707 0.864 0.636 CB 1.368 23 residues pruned to eliminate duplicates Z: 29 23.856 2.031 0.699 0.629 0.893 0.429 CB 1.295 28 residues pruned to eliminate duplicates Z: 7 3.763 1.053 1.253 0.509 1.000 0.833 N 0.641 7 residues pruned to eliminate duplicates Z: 28 23.326 2.036 0.515 0.695 0.926 0.704 CB 1.316 28 residues pruned to eliminate duplicates Z: 29 20.271 2.024 0.397 0.617 0.893 0.607 CB 1.358 29 residues pruned to eliminate duplicates Z: 29 23.491 2.029 0.530 0.624 0.929 0.464 CB 1.369 29 residues pruned to eliminate duplicates Z: 43 28.238 2.032 0.636 0.527 0.952 0.548 CB 1.340 43 residues pruned to eliminate duplicates Z: 44 32.147 2.138 0.679 0.525 0.907 0.674 CA 1.468 44 residues pruned to eliminate duplicates Z: 43 30.856 2.092 0.723 0.507 0.952 0.595 CB 1.378 43 residues pruned to eliminate duplicates Z: 10 8.046 1.790 0.354 0.592 1.000 0.889 CB 1.014 11 residues pruned to eliminate duplicates Z: 10 10.239 1.539 0.708 0.715 1.000 0.556 CB 1.069 11 residues pruned to eliminate duplicates Z: 9 11.274 1.722 0.490 0.752 1.000 0.750 CB 1.241 9 residues pruned to eliminate duplicates Z: 11 18.904 2.113 0.593 0.679 1.000 0.800 CB 1.506 11 residues pruned to eliminate duplicates Z: 12 17.191 2.004 0.634 0.712 0.909 0.545 CB 1.437 12 residues pruned to eliminate duplicates Z: 7 9.443 2.032 0.451 0.381 1.000 0.333 CB 1.484 7 residues pruned to eliminate duplicates Z: 13 12.535 1.890 0.582 0.573 0.833 0.500 CB 1.353 13 residues pruned to eliminate duplicates Z: 6 4.536 1.441 0.530 0.477 0.800 0.800 CA 1.177 6 residues pruned to eliminate duplicates Z: 12 18.841 2.001 0.676 0.689 1.000 0.545 CB 1.425 12 residues pruned to eliminate duplicates Z: 11 17.455 2.117 0.640 0.675 0.900 0.700 CB 1.503 11 residues pruned to eliminate duplicates Z: 25 20.384 2.078 0.691 0.548 0.917 0.625 CB 1.232 25 residues pruned to eliminate duplicates Z: 7 6.398 1.778 0.381 0.399 1.000 0.333 CA 1.183 6 residues pruned to eliminate duplicates Z: 8 7.237 1.826 0.421 0.499 0.857 0.571 CA 1.231 8 residues pruned to eliminate duplicates Z: 15 12.946 1.953 0.427 0.456 0.929 0.500 CB 1.399 15 residues pruned to eliminate duplicates Z: 24 24.571 2.140 0.640 0.567 1.000 0.652 CB 1.367 24 residues pruned to eliminate duplicates Z: 6 5.449 1.541 0.650 0.438 0.800 0.600 CA 1.278 6 residues pruned to eliminate duplicates Z: 24 19.315 2.138 0.566 0.505 0.870 0.565 CB 1.377 24 residues pruned to eliminate duplicates Z: 6 6.976 1.746 1.059 0.383 1.000 0.600 CA 0.983 6 residues pruned to eliminate duplicates Z: 23 24.749 2.167 0.628 0.560 0.955 0.727 CB 1.478 24 residues pruned to eliminate duplicates Z: 6 2.592 1.548 0.965 0.371 0.600 0.400 CA 0.729 6 residues pruned to eliminate duplicates Z: 13 13.804 2.061 0.645 0.605 0.917 0.750 CB 1.161 13 residues pruned to eliminate duplicates Z: 22 19.569 2.109 0.540 0.501 0.952 0.714 CB 1.379 22 residues pruned to eliminate duplicates Z: 24 23.070 2.138 0.560 0.562 1.000 0.652 CB 1.358 24 residues pruned to eliminate duplicates Z: 7 3.417 1.765 0.163 0.372 1.000 0.500 CB 0.780 8 1.393 1.684 0.043 0.393 0.714 0.571 CB 0.470 ? Z: 8 4.474 1.822 0.176 0.508 0.857 0.429 CB 0.914 12 residues pruned to eliminate duplicates Z: 7 11.276 1.681 0.804 0.722 1.000 0.500 CA 1.243 7 residues pruned to eliminate duplicates Z: 7 15.908 2.036 0.781 0.617 1.000 0.500 CA 1.604 7 residues pruned to eliminate duplicates Z: 16 17.907 2.103 0.502 0.708 0.933 0.200 CB 1.298 16 residues pruned to eliminate duplicates Z: 12 10.488 1.869 0.514 0.513 0.909 0.273 CB 1.214 11 residues pruned to eliminate duplicates Z: 17 17.419 1.940 0.549 0.763 0.812 0.438 CB 1.412 17 residues pruned to eliminate duplicates Z: 110 49.638 2.117 0.589 0.602 0.908 0.569 CB 1.412 110 residues pruned to eliminate duplicates Z: 29 18.118 1.966 0.457 0.643 0.857 0.500 CB 1.221 29 residues pruned to eliminate duplicates Z: 29 18.566 1.997 0.539 0.614 0.893 0.500 CB 1.148 29 residues pruned to eliminate duplicates Z: 27 19.235 2.016 0.424 0.640 0.923 0.538 CB 1.249 27 residues pruned to eliminate duplicates Z: 21 19.551 2.111 0.399 0.702 0.950 0.550 CB 1.297 21 residues pruned to eliminate duplicates Z: 22 20.659 2.074 0.487 0.707 0.905 0.524 CB 1.338 22 residues pruned to eliminate duplicates Z: 27 16.703 2.011 0.388 0.628 0.846 0.500 CB 1.230 27 residues pruned to eliminate duplicates Z: 25 19.702 2.005 0.542 0.675 0.875 0.625 CB 1.266 25 residues pruned to eliminate duplicates Z: 18 12.938 2.068 0.473 0.631 0.706 0.294 CB 1.291 18 residues pruned to eliminate duplicates Z: 28 15.352 1.950 0.415 0.632 0.852 0.481 CB 1.111 28 residues pruned to eliminate duplicates Z: 29 24.077 1.959 0.596 0.676 0.929 0.536 CB 1.332 29 residues pruned to eliminate duplicates Z: 29 19.457 2.005 0.488 0.631 0.857 0.607 CB 1.271 29 residues pruned to eliminate duplicates Z: 27 17.161 2.006 0.501 0.640 0.885 0.577 CB 1.109 27 residues pruned to eliminate duplicates Z: 8 16.503 1.944 0.915 0.628 1.000 0.857 CB 1.485 8 residues pruned to eliminate duplicates Z: 29 22.242 2.018 0.493 0.622 0.929 0.571 CB 1.339 29 residues pruned to eliminate duplicates Z: 24 18.853 2.012 0.409 0.694 0.870 0.522 CB 1.335 24 residues pruned to eliminate duplicates Z: 16 8.358 1.915 0.465 0.349 0.733 0.400 CB 1.235 16 residues pruned to eliminate duplicates Z: 18 8.809 1.929 0.522 0.277 0.647 0.412 CB 1.447 18 residues pruned to eliminate duplicates Z: 23 29.676 2.097 0.632 0.809 1.000 0.864 CB 1.412 23 residues pruned to eliminate duplicates Z: 85 47.622 2.166 0.654 0.588 0.905 0.655 CB 1.473 85 residues pruned to eliminate duplicates Z: 37 33.219 2.132 0.588 0.643 0.944 0.639 CB 1.514 37 residues pruned to eliminate duplicates Z: 25 33.144 2.164 0.693 0.769 0.917 0.750 CB 1.588 25 residues pruned to eliminate duplicates Z: 85 51.322 2.179 0.647 0.606 0.952 0.619 CB 1.482 85 residues pruned to eliminate duplicates Z: 28 32.376 2.032 0.761 0.748 0.963 0.630 CA 1.449 28 residues pruned to eliminate duplicates Z: 45 27.522 1.969 0.732 0.576 0.886 0.523 CB 1.276 45 residues pruned to eliminate duplicates Z: 27 33.835 2.096 0.725 0.742 0.962 0.692 CB 1.537 27 residues pruned to eliminate duplicates Z: 51 31.365 2.074 0.666 0.601 0.860 0.540 CB 1.355 51 residues pruned to eliminate duplicates Z: 85 49.195 2.170 0.624 0.607 0.952 0.631 CB 1.444 85 residues pruned to eliminate duplicates Z: 84 54.417 2.179 0.733 0.624 0.940 0.675 CB 1.498 84 residues pruned to eliminate duplicates Z: 26 31.449 2.139 0.776 0.737 0.880 0.600 CB 1.522 26 residues pruned to eliminate duplicates Z: 85 53.017 2.170 0.763 0.598 0.917 0.643 CB 1.502 85 residues pruned to eliminate duplicates Z: 38 25.842 1.943 0.715 0.621 0.838 0.514 CB 1.358 38 residues pruned to eliminate duplicates Z: 33 35.558 2.116 0.861 0.714 0.938 0.625 CB 1.403 33 residues pruned to eliminate duplicates Z: 25 36.769 2.181 0.806 0.773 0.958 0.458 CB 1.561 25 residues pruned to eliminate duplicates Z: 35 39.217 2.184 0.853 0.711 0.912 0.559 CB 1.506 35 residues pruned to eliminate duplicates Z: 25 37.769 2.190 0.816 0.771 0.958 0.542 CA 1.591 25 residues pruned to eliminate duplicates Z: 89 50.121 2.120 0.737 0.584 0.955 0.705 CB 1.401 89 residues pruned to eliminate duplicates Z: 26 38.293 2.159 0.813 0.772 0.960 0.640 CB 1.602 26 residues pruned to eliminate duplicates Z: 35 37.291 2.193 0.710 0.706 0.941 0.588 CB 1.502 35 residues pruned to eliminate duplicates Z: 71 47.143 2.212 0.741 0.634 0.914 0.600 CB 1.411 71 residues pruned to eliminate duplicates Z: 80 50.755 2.180 0.718 0.634 0.911 0.519 CB 1.475 80 residues pruned to eliminate duplicates Z: 86 50.808 2.170 0.717 0.586 0.941 0.576 CB 1.447 86 residues pruned to eliminate duplicates Z: 35 34.056 2.196 0.699 0.695 0.912 0.618 CB 1.437 35 residues pruned to eliminate duplicates Z: 83 49.047 2.183 0.653 0.596 0.927 0.573 CB 1.477 83 residues pruned to eliminate duplicates Z: 40 33.555 2.127 0.722 0.639 0.872 0.513 CB 1.478 40 residues pruned to eliminate duplicates Z: 45 33.925 2.081 0.604 0.669 0.932 0.568 CB 1.406 45 residues pruned to eliminate duplicates Z: 13 9.883 2.180 0.249 0.435 0.833 0.417 CB 1.344 13 residues pruned to eliminate duplicates Z: 36 33.375 2.178 0.632 0.655 0.914 0.543 CB 1.502 36 residues pruned to eliminate duplicates Z: 10 11.162 2.098 0.496 0.548 0.778 0.444 CB 1.454 10 residues pruned to eliminate duplicates Z: 49 37.029 2.193 0.713 0.504 0.938 0.625 CB 1.511 49 residues pruned to eliminate duplicates Z: 49 36.058 2.179 0.675 0.499 0.938 0.500 CB 1.522 49 residues pruned to eliminate duplicates Z: 106 55.495 2.179 0.651 0.561 0.943 0.562 CB 1.506 106 residues pruned to eliminate duplicates Z: 26 35.024 2.332 0.818 0.581 1.000 0.760 CB 1.529 26 residues pruned to eliminate duplicates Z: 109 53.756 2.165 0.662 0.561 0.926 0.620 CB 1.464 109 residues pruned to eliminate duplicates Z: 48 38.568 2.207 0.703 0.510 0.979 0.681 CB 1.514 48 residues pruned to eliminate duplicates Z: 30 28.006 2.242 0.678 0.573 0.931 0.621 CB 1.384 30 residues pruned to eliminate duplicates Z: 124 59.546 2.169 0.665 0.549 0.943 0.569 CB 1.503 124 residues pruned to eliminate duplicates Z: 50 39.106 2.177 0.746 0.541 0.959 0.571 CB 1.471 50 residues pruned to eliminate duplicates Z: 50 36.933 2.184 0.644 0.518 0.980 0.571 CB 1.474 50 residues pruned to eliminate duplicates Z: 48 32.796 2.178 0.600 0.496 0.915 0.574 CB 1.506 48 residues pruned to eliminate duplicates Z: 47 31.765 2.177 0.503 0.498 0.978 0.543 CB 1.466 47 residues pruned to eliminate duplicates Z: 48 36.717 2.190 0.718 0.510 0.936 0.681 CB 1.505 48 residues pruned to eliminate duplicates Z: 39 33.129 2.258 0.698 0.597 0.895 0.684 CB 1.427 39 residues pruned to eliminate duplicates Z: 66 37.416 2.138 0.623 0.531 0.938 0.538 CB 1.382 66 residues pruned to eliminate duplicates Z: 28 31.932 2.307 0.611 0.556 1.000 0.556 CB 1.566 28 residues pruned to eliminate duplicates Z: 50 38.728 2.167 0.763 0.528 0.980 0.571 CB 1.437 50 residues pruned to eliminate duplicates Z: 50 39.605 2.191 0.726 0.537 0.980 0.571 CB 1.473 50 residues pruned to eliminate duplicates Z: 46 37.266 2.212 0.664 0.578 0.956 0.711 CB 1.465 46 residues pruned to eliminate duplicates Z: 26 32.201 2.300 0.736 0.532 0.960 0.640 CA 1.627 26 residues pruned to eliminate duplicates Z: 49 34.719 2.154 0.629 0.479 0.938 0.458 CB 1.556 49 residues pruned to eliminate duplicates Z: 102 53.427 2.182 0.671 0.562 0.950 0.663 CB 1.445 102 residues pruned to eliminate duplicates Z: 49 35.077 2.164 0.642 0.533 0.938 0.625 CB 1.471 49 residues pruned to eliminate duplicates Z: 52 34.826 2.144 0.688 0.508 0.941 0.608 CB 1.421 52 residues pruned to eliminate duplicates Z: 48 35.280 2.172 0.702 0.503 0.915 0.617 CB 1.517 48 residues pruned to eliminate duplicates Z: 49 34.097 2.177 0.602 0.523 0.938 0.583 CB 1.472 49 residues pruned to eliminate duplicates Z: 50 36.958 2.171 0.668 0.519 0.980 0.510 CB 1.460 50 residues pruned to eliminate duplicates Z: 49 37.113 2.183 0.685 0.508 0.979 0.604 CB 1.476 49 residues pruned to eliminate duplicates Z: 48 36.146 2.178 0.734 0.504 0.936 0.638 CB 1.487 48 residues pruned to eliminate duplicates Z: 47 37.600 2.188 0.756 0.480 0.957 0.478 CA 1.540 47 residues pruned to eliminate duplicates Z: 85 51.008 2.173 0.716 0.597 0.929 0.583 CB 1.466 85 residues pruned to eliminate duplicates Z: 50 37.584 2.184 0.755 0.517 0.959 0.551 CB 1.436 50 residues pruned to eliminate duplicates Z: 47 40.458 2.214 0.788 0.497 0.978 0.609 CB 1.545 47 residues pruned to eliminate duplicates Z: 51 32.337 2.151 0.637 0.497 0.940 0.500 CB 1.385 51 residues pruned to eliminate duplicates Z: 86 46.898 2.177 0.668 0.579 0.894 0.576 CB 1.452 86 residues pruned to eliminate duplicates Z: 48 36.234 2.175 0.717 0.495 0.957 0.553 CB 1.485 48 residues pruned to eliminate duplicates Z: 62 40.187 2.138 0.735 0.543 0.967 0.574 CB 1.375 62 residues pruned to eliminate duplicates Z: 51 36.561 2.187 0.730 0.531 0.960 0.580 CB 1.381 51 residues pruned to eliminate duplicates Z: 50 36.520 2.176 0.761 0.486 0.959 0.571 CB 1.440 50 residues pruned to eliminate duplicates Z: 46 35.614 2.193 0.745 0.540 0.956 0.600 CB 1.397 46 residues pruned to eliminate duplicates Z: 50 36.072 2.182 0.737 0.512 0.939 0.551 CB 1.432 50 residues pruned to eliminate duplicates Z: 47 33.042 2.177 0.587 0.501 0.957 0.587 CB 1.472 47 residues pruned to eliminate duplicates Z: 84 48.772 2.190 0.658 0.592 0.940 0.590 CB 1.437 84 residues pruned to eliminate duplicates Z: 50 35.623 2.181 0.697 0.528 0.939 0.592 CB 1.424 50 residues pruned to eliminate duplicates Z: 48 33.829 2.186 0.676 0.480 0.936 0.532 CB 1.468 48 residues pruned to eliminate duplicates Z: 50 33.353 2.184 0.620 0.495 0.939 0.571 CB 1.442 50 residues pruned to eliminate duplicates Z: 64 35.938 2.128 0.670 0.497 0.905 0.587 CB 1.412 64 residues pruned to eliminate duplicates Z: 121 53.100 2.166 0.636 0.518 0.925 0.575 CB 1.452 121 residues pruned to eliminate duplicates Z: 66 32.647 2.082 0.614 0.522 0.908 0.538 CB 1.299 66 residues pruned to eliminate duplicates Z: 100 49.843 2.152 0.715 0.597 0.879 0.636 CB 1.409 100 residues pruned to eliminate duplicates Z: 35 21.018 1.959 0.651 0.507 0.882 0.706 CB 1.255 35 residues pruned to eliminate duplicates Z: 63 40.036 2.151 0.646 0.602 0.903 0.645 CB 1.444 63 residues pruned to eliminate duplicates Z: 57 41.008 2.152 0.657 0.596 0.982 0.696 CB 1.427 57 residues pruned to eliminate duplicates Z: 62 38.702 2.170 0.621 0.548 0.934 0.607 CB 1.438 62 residues pruned to eliminate duplicates Z: 81 45.055 2.146 0.629 0.568 0.900 0.613 CB 1.499 81 residues pruned to eliminate duplicates Z: 124 56.934 2.159 0.656 0.552 0.927 0.618 CB 1.471 124 residues pruned to eliminate duplicates Z: 123 61.626 2.180 0.735 0.566 0.934 0.656 CB 1.481 123 residues pruned to eliminate duplicates Z: 78 46.527 2.167 0.653 0.584 0.909 0.701 CB 1.502 78 residues pruned to eliminate duplicates Z: 50 39.120 2.185 0.671 0.596 0.959 0.673 CB 1.456 50 residues pruned to eliminate duplicates Z: 56 40.618 2.178 0.642 0.585 0.982 0.673 CB 1.438 56 residues pruned to eliminate duplicates Z: 66 40.286 2.172 0.600 0.593 0.892 0.646 CB 1.475 66 residues pruned to eliminate duplicates Z: 62 39.568 2.153 0.674 0.537 0.934 0.689 CB 1.451 62 residues pruned to eliminate duplicates Z: 59 35.668 2.126 0.564 0.548 0.966 0.621 CB 1.392 59 residues pruned to eliminate duplicates Z: 103 50.695 2.187 0.636 0.521 0.971 0.598 CB 1.416 103 residues pruned to eliminate duplicates Z: 106 55.769 2.187 0.679 0.553 0.962 0.581 CB 1.463 106 residues pruned to eliminate duplicates Z: 101 54.611 2.205 0.674 0.548 0.940 0.550 CB 1.502 101 residues pruned to eliminate duplicates Z: 79 45.895 2.155 0.623 0.579 0.936 0.603 CB 1.471 79 residues pruned to eliminate duplicates Z: 113 56.043 2.203 0.637 0.554 0.946 0.634 CB 1.472 113 residues pruned to eliminate duplicates Z: 117 52.030 2.171 0.616 0.563 0.905 0.655 CB 1.430 117 residues pruned to eliminate duplicates Z: 122 61.484 2.185 0.674 0.572 0.959 0.653 CB 1.487 122 residues pruned to eliminate duplicates Z: 125 57.548 2.171 0.612 0.573 0.952 0.645 CB 1.446 125 residues pruned to eliminate duplicates Z: 79 47.556 2.165 0.646 0.583 0.936 0.628 CB 1.490 79 residues pruned to eliminate duplicates Z: 29 24.704 2.144 0.566 0.582 0.857 0.536 CB 1.500 29 residues pruned to eliminate duplicates Z: 82 44.154 2.137 0.565 0.577 0.963 0.654 CB 1.414 82 residues pruned to eliminate duplicates Z: 79 47.397 2.173 0.638 0.595 0.923 0.679 CB 1.491 79 residues pruned to eliminate duplicates Z: 109 54.605 2.183 0.627 0.571 0.963 0.620 CB 1.435 109 residues pruned to eliminate duplicates Z: 64 46.283 2.192 0.681 0.594 0.968 0.651 CB 1.494 64 residues pruned to eliminate duplicates Z: 30 23.312 1.972 0.560 0.584 0.931 0.621 CA 1.395 30 residues pruned to eliminate duplicates Z: 29 34.091 2.235 0.644 0.664 0.929 0.750 CB 1.622 29 residues pruned to eliminate duplicates Z: 126 59.965 2.173 0.676 0.557 0.960 0.600 CB 1.451 126 residues pruned to eliminate duplicates Z: 84 45.722 2.132 0.657 0.572 0.916 0.639 CB 1.447 84 residues pruned to eliminate duplicates Z: 56 44.163 2.143 0.721 0.598 1.000 0.727 CB 1.470 56 residues pruned to eliminate duplicates Z: 125 59.220 2.173 0.675 0.564 0.944 0.637 CB 1.456 125 residues pruned to eliminate duplicates Z: 51 37.579 2.136 0.581 0.619 0.900 0.620 CB 1.563 51 residues pruned to eliminate duplicates Z: 80 49.024 2.177 0.679 0.590 0.937 0.658 CB 1.477 80 residues pruned to eliminate duplicates Z: 151 65.617 2.184 0.691 0.591 0.927 0.647 CB 1.435 151 residues pruned to eliminate duplicates Z: 45 40.593 2.205 0.800 0.562 0.955 0.591 CB 1.522 45 residues pruned to eliminate duplicates Z: 122 61.356 2.192 0.660 0.560 0.950 0.620 CB 1.522 122 residues pruned to eliminate duplicates Z: 125 63.160 2.188 0.696 0.586 0.952 0.653 CB 1.480 125 residues pruned to eliminate duplicates Z: 62 44.293 2.197 0.635 0.592 0.984 0.623 CB 1.469 62 residues pruned to eliminate duplicates Z: 99 52.009 2.196 0.629 0.553 0.949 0.582 CB 1.470 99 residues pruned to eliminate duplicates Z: 80 44.130 2.139 0.618 0.569 0.911 0.646 CB 1.472 80 residues pruned to eliminate duplicates Z: 61 42.775 2.195 0.647 0.590 0.933 0.633 CB 1.502 61 residues pruned to eliminate duplicates Z: 126 62.507 2.179 0.685 0.574 0.960 0.656 CB 1.477 126 residues pruned to eliminate duplicates Z: 107 56.716 2.200 0.698 0.568 0.943 0.594 CB 1.463 107 residues pruned to eliminate duplicates Z: 126 61.737 2.167 0.671 0.581 0.960 0.664 CB 1.469 126 residues pruned to eliminate duplicates Z: 77 44.986 2.172 0.600 0.580 0.921 0.632 CB 1.493 77 residues pruned to eliminate duplicates Z: 125 59.143 2.184 0.663 0.570 0.919 0.645 CB 1.486 125 residues pruned to eliminate duplicates Z: 105 53.432 2.186 0.687 0.526 0.952 0.606 CB 1.455 105 residues pruned to eliminate duplicates Z: 17 16.186 2.134 0.557 0.467 0.875 0.500 CB 1.440 17 residues pruned to eliminate duplicates Z: 108 57.354 2.189 0.687 0.579 0.963 0.589 CB 1.445 108 residues pruned to eliminate duplicates Z: 123 60.668 2.197 0.646 0.581 0.951 0.672 CB 1.478 123 residues pruned to eliminate duplicates Z: 82 44.230 2.109 0.603 0.550 0.926 0.617 CB 1.495 82 residues pruned to eliminate duplicates Z: 64 46.831 2.196 0.632 0.599 1.000 0.698 CB 1.498 64 residues pruned to eliminate duplicates Z: 76 51.540 2.192 0.688 0.600 0.973 0.627 CB 1.502 76 residues pruned to eliminate duplicates Z: 106 49.603 2.104 0.622 0.543 0.962 0.676 CB 1.413 106 residues pruned to eliminate duplicates Z: 35 23.175 2.079 0.562 0.490 0.853 0.500 CB 1.448 35 residues pruned to eliminate duplicates Z: 78 48.905 2.152 0.717 0.588 0.935 0.766 CB 1.483 78 residues pruned to eliminate duplicates Z: 77 50.293 2.189 0.663 0.585 0.974 0.632 CB 1.500 77 residues pruned to eliminate duplicates Z: 123 56.980 2.188 0.614 0.555 0.934 0.648 CB 1.482 123 residues pruned to eliminate duplicates Z: 114 54.341 2.161 0.664 0.552 0.938 0.637 CB 1.440 114 residues pruned to eliminate duplicates Z: 125 53.028 2.169 0.558 0.571 0.919 0.597 CB 1.431 125 residues pruned to eliminate duplicates Z: 78 48.444 2.180 0.653 0.594 0.935 0.727 CB 1.498 78 residues pruned to eliminate duplicates Z: 94 48.714 2.140 0.656 0.559 0.925 0.667 CB 1.456 94 residues pruned to eliminate duplicates Z: 67 42.374 2.157 0.671 0.563 0.924 0.576 CB 1.474 67 residues pruned to eliminate duplicates Z: 80 48.148 2.158 0.614 0.588 0.962 0.646 CB 1.485 80 residues pruned to eliminate duplicates Z: 126 59.256 2.169 0.659 0.582 0.944 0.648 CB 1.443 126 residues pruned to eliminate duplicates Z: 81 49.135 2.167 0.723 0.572 0.950 0.625 CB 1.445 81 residues pruned to eliminate duplicates Z: 79 48.805 2.169 0.680 0.579 0.962 0.654 CB 1.462 79 residues pruned to eliminate duplicates Z: 125 58.742 2.183 0.691 0.573 0.927 0.645 CB 1.436 125 residues pruned to eliminate duplicates Z: 80 50.848 2.163 0.780 0.569 0.949 0.646 CB 1.464 80 residues pruned to eliminate duplicates Z: 127 57.526 2.151 0.668 0.557 0.944 0.627 CB 1.430 127 residues pruned to eliminate duplicates Z: 79 50.661 2.157 0.716 0.603 0.962 0.654 CB 1.461 78 residues pruned to eliminate duplicates Z: 6 5.719 2.018 0.258 0.325 1.000 0.800 CB 1.222 6 residues pruned to eliminate duplicates Z: 7 3.288 1.787 0.290 0.412 0.667 0.333 CB 0.958 7 residues pruned to eliminate duplicates Z: 11 20.168 2.082 0.745 0.707 1.000 0.700 CB 1.454 11 residues pruned to eliminate duplicates Z: 6 3.762 1.586 0.621 0.402 1.000 0.600 CA 0.726 6 residues pruned to eliminate duplicates Z: 12 12.853 1.986 0.602 0.609 0.818 0.636 CB 1.342 12 residues pruned to eliminate duplicates Z: 9 20.450 2.116 1.362 0.629 1.000 0.750 CB 1.281 11 residues pruned to eliminate duplicates Z: 6 5.410 1.791 0.800 0.430 0.800 0.600 CB 1.009 6 residues pruned to eliminate duplicates Z: 9 14.937 2.174 1.159 0.722 0.750 0.625 CB 1.227 9 residues pruned to eliminate duplicates Z: 10 12.867 1.928 1.120 0.660 1.000 0.667 CB 0.905 10 residues pruned to eliminate duplicates Z: 16 11.851 1.876 0.990 0.503 0.867 0.400 CB 0.943 16 residues pruned to eliminate duplicates Z: 16 9.952 1.902 0.971 0.450 0.800 0.467 CB 0.902 16 residues pruned to eliminate duplicates Z: 43 19.570 1.822 0.661 0.492 0.881 0.500 CB 1.143 41 residues pruned to eliminate duplicates Z: 15 16.625 1.924 0.584 0.785 0.929 0.286 CB 1.222 15 residues pruned to eliminate duplicates Z: 28 19.354 1.979 0.422 0.649 0.889 0.519 CB 1.296 28 residues pruned to eliminate duplicates Z: 56 34.683 2.071 0.603 0.680 0.873 0.564 CB 1.368 61 residues pruned to eliminate duplicates Z: 12 13.411 1.716 0.538 0.856 0.909 0.545 CB 1.243 12 residues pruned to eliminate duplicates Z: 30 20.500 1.958 0.424 0.618 0.931 0.414 CB 1.313 30 residues pruned to eliminate duplicates Z: 30 20.755 1.962 0.412 0.609 0.897 0.414 CB 1.399 30 residues pruned to eliminate duplicates Z: 17 11.816 1.991 0.074 0.681 0.875 0.250 CB 1.337 17 residues pruned to eliminate duplicates Z: 28 20.576 1.928 0.479 0.646 0.889 0.481 CB 1.363 29 residues pruned to eliminate duplicates Z: 10 14.628 1.906 0.351 0.834 1.000 0.667 CB 1.420 10 residues pruned to eliminate duplicates Z: 29 19.409 1.964 0.475 0.654 0.893 0.500 CB 1.229 29 residues pruned to eliminate duplicates Z: 27 11.383 1.778 0.322 0.488 0.808 0.346 CB 1.190 27 residues pruned to eliminate duplicates Z: 23 19.546 1.932 0.503 0.647 0.909 0.727 CB 1.377 23 residues pruned to eliminate duplicates Z: 22 24.976 2.025 0.621 0.669 0.952 0.619 CB 1.491 22 residues pruned to eliminate duplicates Z: 28 17.920 1.976 0.309 0.710 0.852 0.593 CB 1.294 28 residues pruned to eliminate duplicates Z: 23 18.772 2.047 0.524 0.661 0.864 0.409 CB 1.279 23 residues pruned to eliminate duplicates Z: 14 9.888 1.794 0.569 0.520 0.846 0.462 CA 1.129 14 residues pruned to eliminate duplicates Z: 26 21.910 1.986 0.558 0.603 0.960 0.400 CB 1.338 26 residues pruned to eliminate duplicates Z: 20 19.357 1.952 0.619 0.548 0.895 0.474 CB 1.499 20 residues pruned to eliminate duplicates Z: 14 15.415 1.851 0.812 0.535 0.846 0.385 CB 1.456 14 residues pruned to eliminate duplicates Z: 11 12.047 1.800 0.916 0.565 0.900 0.500 CA 1.152 11 residues pruned to eliminate duplicates Z: 13 16.413 1.949 0.820 0.547 0.833 0.500 CB 1.531 13 residues pruned to eliminate duplicates Z: 14 13.423 1.848 0.578 0.560 0.846 0.615 CB 1.423 14 residues pruned to eliminate duplicates Z: 15 13.288 1.723 0.626 0.579 0.929 0.500 CB 1.265 15 residues pruned to eliminate duplicates Z: 45 28.503 2.129 0.610 0.484 0.886 0.500 CB 1.438 45 residues pruned to eliminate duplicates Z: 45 32.560 2.164 0.676 0.538 0.909 0.659 CB 1.433 45 residues pruned to eliminate duplicates Z: 44 33.358 2.141 0.790 0.492 0.953 0.628 CB 1.403 44 residues pruned to eliminate duplicates Z: 8 5.402 1.525 0.561 0.510 0.714 0.429 CB 1.189 8 residues pruned to eliminate duplicates Z: 47 35.021 2.122 0.684 0.535 1.000 0.696 CB 1.397 47 residues pruned to eliminate duplicates Z: 7 3.973 1.554 0.249 0.455 1.000 0.667 CB 0.875 7 residues pruned to eliminate duplicates Z: 14 13.819 1.914 0.612 0.811 0.923 0.615 CB 1.026 14 residues pruned to eliminate duplicates Z: 21 14.932 1.677 0.550 0.820 1.000 0.850 CB 0.973 21 residues pruned to eliminate duplicates Z: 21 16.465 1.696 0.768 0.795 0.950 0.600 CB 0.998 21 residues pruned to eliminate duplicates Z: 20 15.185 1.723 0.579 0.776 1.000 0.632 CB 1.003 20 residues pruned to eliminate duplicates Z: 19 17.499 1.770 0.631 0.865 1.000 0.722 CB 1.047 19 residues pruned to eliminate duplicates Z: 22 14.762 1.636 0.636 0.715 1.000 0.762 CB 0.991 22 residues pruned to eliminate duplicates Z: 19 19.650 1.783 0.736 0.878 1.000 0.667 CB 1.086 19 residues pruned to eliminate duplicates Z: 19 18.785 1.773 0.607 0.902 1.000 0.667 CB 1.108 19 residues pruned to eliminate duplicates Z: 21 16.827 1.689 0.644 0.824 1.000 0.800 CB 1.023 21 residues pruned to eliminate duplicates Z: 18 18.373 1.837 0.586 0.870 1.000 0.588 CB 1.116 18 residues pruned to eliminate duplicates Z: 20 16.383 1.730 0.659 0.802 1.000 0.737 CB 1.006 20 residues pruned to eliminate duplicates Z: 19 18.858 1.776 0.697 0.885 1.000 0.556 CB 1.065 19 residues pruned to eliminate duplicates Z: 19 19.374 1.760 0.786 0.902 1.000 0.611 CB 1.036 19 residues pruned to eliminate duplicates Z: 19 18.398 1.784 0.616 0.873 1.000 0.722 CB 1.095 19 residues pruned to eliminate duplicates Z: 17 17.719 1.815 0.406 0.879 1.000 0.688 CB 1.259 17 residues pruned to eliminate duplicates Z: 17 20.568 1.822 0.705 0.863 1.000 0.688 CB 1.215 17 residues pruned to eliminate duplicates Z: 17 19.589 1.821 0.475 0.922 1.000 0.812 CB 1.282 17 residues pruned to eliminate duplicates Z: 16 18.885 1.905 0.317 0.904 1.000 0.867 CB 1.384 16 residues pruned to eliminate duplicates Z: 17 19.513 1.819 0.575 0.857 1.000 0.750 CB 1.254 17 residues pruned to eliminate duplicates Z: 16 20.619 1.916 0.425 0.923 1.000 0.733 CB 1.371 16 residues pruned to eliminate duplicates Z: 16 20.678 1.913 0.509 0.886 1.000 0.733 CB 1.335 16 residues pruned to eliminate duplicates Z: 17 17.306 1.821 0.433 0.814 1.000 0.688 CB 1.261 17 residues pruned to eliminate duplicates Z: 16 20.329 1.908 0.505 0.918 1.000 0.800 CB 1.289 16 residues pruned to eliminate duplicates Z: 16 19.510 1.898 0.626 0.847 0.933 0.600 CB 1.299 16 residues pruned to eliminate duplicates Z: 16 21.723 1.886 0.656 0.840 1.000 0.667 CB 1.340 16 residues pruned to eliminate duplicates Z: 16 21.776 1.911 0.644 0.902 1.000 0.533 CB 1.277 17 residues pruned to eliminate duplicates Z: 17 21.815 1.817 0.696 0.902 1.000 0.625 CB 1.262 16 residues pruned to eliminate duplicates Z: 17 20.409 1.818 0.591 0.927 1.000 0.812 CB 1.236 17 residues pruned to eliminate duplicates Z: 8 5.538 1.957 0.153 0.379 0.857 0.429 CB 1.232 8 residues pruned to eliminate duplicates Z: 6 3.715 1.466 0.101 0.503 1.000 0.600 CB 1.026 5 residues pruned to eliminate duplicates Z: 6 7.744 1.643 0.347 0.700 1.000 0.800 CA 1.304 7 residues pruned to eliminate duplicates Z: 6 4.673 1.908 0.512 0.314 0.800 0.600 CB 1.113 6 residues pruned to eliminate duplicates Z: 25 22.104 2.087 0.711 0.520 0.875 0.792 CB 1.416 25 residues pruned to eliminate duplicates Z: 6 6.253 1.747 0.592 0.404 0.800 0.800 CB 1.391 6 residues pruned to eliminate duplicates Z: 14 16.680 2.077 0.590 0.494 1.000 0.615 CB 1.409 14 residues pruned to eliminate duplicates Z: 25 22.067 2.100 0.677 0.508 0.958 0.625 CB 1.325 23 residues pruned to eliminate duplicates 6 1.987 1.748 0.847 0.149 0.600 0.400 CB 0.707 ? Z: 6 4.107 1.586 0.991 0.428 0.800 0.600 CB 0.783 6 residues pruned to eliminate duplicates Z: 10 16.107 2.222 1.031 0.567 0.889 0.778 CB 1.254 10 residues pruned to eliminate duplicates Z: 24 15.175 2.054 0.639 0.457 0.870 0.522 CB 1.130 24 residues pruned to eliminate duplicates Z: 29 19.475 1.991 0.663 0.613 0.750 0.321 CB 1.332 26 residues pruned to eliminate duplicates Z: 6 10.604 1.668 0.781 0.694 1.000 0.200 N 1.336 6 residues pruned to eliminate duplicates Z: 21 20.246 1.933 0.743 0.673 0.900 0.300 CB 1.272 22 residues pruned to eliminate duplicates Z: 6 8.480 1.892 0.591 0.721 1.000 0.200 CB 1.032 6 residues pruned to eliminate duplicates Z: 61 35.748 2.068 0.642 0.638 0.900 0.483 CB 1.327 61 residues pruned to eliminate duplicates Z: 14 14.067 1.830 0.563 0.774 0.923 0.385 CB 1.160 14 residues pruned to eliminate duplicates Z: 17 16.740 1.920 0.501 0.736 0.875 0.375 CB 1.343 17 residues pruned to eliminate duplicates Z: 20 13.112 1.872 0.436 0.576 0.789 0.263 CB 1.317 20 residues pruned to eliminate duplicates Z: 30 21.229 1.955 0.676 0.545 0.828 0.379 CB 1.391 30 residues pruned to eliminate duplicates Z: 16 16.376 1.977 0.419 0.740 0.933 0.400 CB 1.302 16 residues pruned to eliminate duplicates Z: 32 19.278 1.947 0.554 0.565 0.806 0.290 CB 1.332 32 residues pruned to eliminate duplicates Z: 28 23.325 2.013 0.700 0.612 0.926 0.444 CB 1.274 28 residues pruned to eliminate duplicates Z: 17 13.675 1.834 0.358 0.732 0.875 0.312 CB 1.273 17 residues pruned to eliminate duplicates Z: 24 22.184 2.038 0.590 0.716 0.957 0.522 CB 1.226 24 residues pruned to eliminate duplicates Z: 50 31.336 1.993 0.669 0.650 0.959 0.653 CB 1.220 50 residues pruned to eliminate duplicates Z: 12 15.498 2.093 0.555 0.597 0.909 0.455 CB 1.440 12 residues pruned to eliminate duplicates Z: 29 18.004 1.975 0.314 0.625 0.893 0.464 CB 1.305 29 residues pruned to eliminate duplicates Z: 28 22.580 2.053 0.559 0.636 0.889 0.407 CB 1.345 28 residues pruned to eliminate duplicates Z: 11 12.392 2.081 0.708 0.654 0.800 0.600 CB 1.195 11 residues pruned to eliminate duplicates Z: 33 18.313 1.939 0.534 0.511 0.812 0.375 CB 1.324 33 residues pruned to eliminate duplicates Z: 22 17.605 2.019 0.421 0.647 0.857 0.619 CB 1.362 22 residues pruned to eliminate duplicates Z: 12 17.471 2.009 0.790 0.612 0.909 0.636 CA 1.450 12 residues pruned to eliminate duplicates Z: 52 30.369 2.047 0.500 0.671 0.863 0.627 CB 1.371 52 residues pruned to eliminate duplicates Z: 13 14.376 1.978 0.737 0.480 0.833 0.417 CB 1.478 13 residues pruned to eliminate duplicates Z: 12 10.542 1.979 0.498 0.512 0.818 0.545 CB 1.296 12 residues pruned to eliminate duplicates Z: 36 27.097 2.083 0.637 0.659 0.857 0.657 CB 1.353 36 residues pruned to eliminate duplicates Z: 53 26.423 2.045 0.404 0.671 0.846 0.712 CB 1.288 53 residues pruned to eliminate duplicates Z: 25 25.309 2.087 0.461 0.772 0.958 0.875 CB 1.391 25 residues pruned to eliminate duplicates Z: 37 25.817 2.091 0.655 0.642 0.889 0.611 CB 1.226 37 residues pruned to eliminate duplicates Z: 24 32.074 2.146 0.693 0.797 1.000 0.870 CB 1.419 24 residues pruned to eliminate duplicates Z: 24 31.046 2.134 0.762 0.811 0.957 0.783 CB 1.373 24 residues pruned to eliminate duplicates Z: 47 29.863 2.086 0.671 0.656 0.848 0.609 CB 1.288 47 residues pruned to eliminate duplicates Z: 12 22.928 2.225 0.995 0.652 1.000 0.545 CB 1.352 12 residues pruned to eliminate duplicates Z: 26 27.367 2.088 0.737 0.741 0.960 0.760 CB 1.266 26 residues pruned to eliminate duplicates Z: 24 28.199 2.165 0.542 0.820 0.957 0.913 CB 1.395 24 residues pruned to eliminate duplicates Z: 24 30.753 2.160 0.689 0.810 0.957 0.739 CB 1.403 24 residues pruned to eliminate duplicates Z: 47 38.258 2.135 0.873 0.698 0.935 0.652 CB 1.259 47 residues pruned to eliminate duplicates Z: 25 23.776 2.075 0.617 0.768 0.875 0.708 CB 1.304 25 residues pruned to eliminate duplicates Z: 24 30.929 2.154 0.834 0.809 0.957 0.565 CB 1.304 24 residues pruned to eliminate duplicates Z: 25 27.490 2.095 0.705 0.757 0.958 0.667 CB 1.304 25 residues pruned to eliminate duplicates Z: 25 31.131 2.126 0.921 0.770 0.917 0.583 CB 1.337 25 residues pruned to eliminate duplicates Z: 25 32.439 2.163 0.854 0.770 0.958 0.583 CB 1.356 25 residues pruned to eliminate duplicates Z: 24 34.081 2.178 0.967 0.806 0.957 0.652 CB 1.328 24 residues pruned to eliminate duplicates Z: 127 61.015 2.165 0.673 0.624 0.968 0.603 CB 1.379 127 residues pruned to eliminate duplicates Z: 30 33.481 2.121 1.007 0.716 0.897 0.621 CB 1.339 30 residues pruned to eliminate duplicates Z: 24 31.052 2.133 0.928 0.806 0.913 0.478 CB 1.320 24 residues pruned to eliminate duplicates Z: 142 58.386 2.138 0.670 0.600 0.936 0.546 CB 1.337 142 residues pruned to eliminate duplicates Z: 24 33.365 2.136 0.926 0.794 0.957 0.435 CB 1.367 24 residues pruned to eliminate duplicates Z: 24 37.442 2.161 1.050 0.806 1.000 0.652 CB 1.350 24 residues pruned to eliminate duplicates Z: 64 44.567 2.176 0.764 0.637 0.937 0.492 CB 1.374 64 residues pruned to eliminate duplicates Z: 23 36.835 2.161 1.130 0.805 1.000 0.409 CB 1.307 23 residues pruned to eliminate duplicates Z: 124 58.321 2.151 0.703 0.624 0.951 0.585 CB 1.343 124 residues pruned to eliminate duplicates Z: 35 31.016 2.151 0.908 0.682 0.882 0.559 CB 1.242 35 residues pruned to eliminate duplicates Z: 7 10.031 2.148 0.549 0.704 1.000 0.833 CB 1.022 7 residues pruned to eliminate duplicates Z: 126 58.282 2.156 0.716 0.624 0.928 0.560 CB 1.351 126 residues pruned to eliminate duplicates Z: 126 61.779 2.170 0.671 0.616 0.968 0.568 CB 1.410 126 residues pruned to eliminate duplicates Z: 56 35.782 2.163 0.608 0.708 0.909 0.582 CB 1.263 56 residues pruned to eliminate duplicates Z: 39 35.078 2.216 0.808 0.629 0.921 0.658 CB 1.367 39 residues pruned to eliminate duplicates Z: 126 60.590 2.151 0.695 0.617 0.960 0.608 CB 1.386 126 residues pruned to eliminate duplicates Z: 102 49.357 2.176 0.568 0.577 0.941 0.614 CB 1.421 102 residues pruned to eliminate duplicates Z: 33 30.889 2.131 0.811 0.701 0.906 0.500 CB 1.301 33 residues pruned to eliminate duplicates Z: 97 44.007 2.104 0.608 0.555 0.927 0.552 CB 1.357 97 residues pruned to eliminate duplicates Z: 50 34.924 2.141 0.720 0.660 0.898 0.612 CB 1.301 50 residues pruned to eliminate duplicates Z: 23 28.937 2.219 0.784 0.659 1.000 0.500 CB 1.345 23 residues pruned to eliminate duplicates Z: 57 42.780 2.198 0.645 0.593 0.964 0.571 CB 1.500 57 residues pruned to eliminate duplicates Z: 155 56.215 2.101 0.632 0.591 0.909 0.539 CB 1.331 155 residues pruned to eliminate duplicates Z: 9 17.538 2.087 0.919 0.724 0.875 0.250 CA 1.445 9 residues pruned to eliminate duplicates Z: 56 43.141 2.178 0.667 0.571 0.982 0.491 CB 1.523 56 residues pruned to eliminate duplicates Z: 55 42.415 2.198 0.684 0.565 0.963 0.500 CB 1.521 55 residues pruned to eliminate duplicates Z: 22 23.385 2.129 0.760 0.620 0.952 0.571 CA 1.277 22 residues pruned to eliminate duplicates Z: 89 53.985 2.189 0.675 0.584 0.989 0.625 CB 1.465 89 residues pruned to eliminate duplicates Z: 40 36.731 2.191 0.753 0.513 0.974 0.641 CB 1.553 40 residues pruned to eliminate duplicates Z: 106 50.932 2.146 0.565 0.569 0.971 0.619 CB 1.425 106 residues pruned to eliminate duplicates Z: 45 32.521 2.136 0.727 0.526 0.909 0.432 CB 1.425 45 residues pruned to eliminate duplicates Z: 27 30.990 2.197 0.853 0.566 0.923 0.462 CA 1.517 27 residues pruned to eliminate duplicates Z: 47 38.802 2.164 0.692 0.527 1.000 0.674 CA 1.521 47 residues pruned to eliminate duplicates Z: 106 49.325 2.149 0.624 0.561 0.924 0.571 CB 1.407 106 residues pruned to eliminate duplicates Z: 90 53.760 2.169 0.697 0.569 0.978 0.663 CB 1.482 90 residues pruned to eliminate duplicates Z: 106 51.526 2.149 0.627 0.570 0.943 0.648 CB 1.426 106 residues pruned to eliminate duplicates Z: 22 24.895 2.167 0.796 0.588 0.952 0.619 CA 1.347 22 residues pruned to eliminate duplicates Z: 90 51.518 2.163 0.647 0.562 0.955 0.584 CB 1.511 90 residues pruned to eliminate duplicates Z: 91 47.649 2.149 0.705 0.540 0.933 0.500 CB 1.412 91 residues pruned to eliminate duplicates Z: 21 29.175 2.206 1.039 0.600 1.000 0.600 CA 1.319 21 residues pruned to eliminate duplicates Z: 68 41.802 2.149 0.585 0.562 0.985 0.522 CB 1.433 68 residues pruned to eliminate duplicates Z: 64 44.371 2.175 0.656 0.520 1.000 0.540 CB 1.522 64 residues pruned to eliminate duplicates Z: 122 51.976 2.123 0.611 0.567 0.942 0.562 CB 1.374 122 residues pruned to eliminate duplicates Z: 45 30.233 2.153 0.591 0.487 0.886 0.500 CB 1.521 45 residues pruned to eliminate duplicates Z: 106 53.037 2.159 0.592 0.587 0.971 0.619 CB 1.426 106 residues pruned to eliminate duplicates Z: 106 51.337 2.143 0.666 0.565 0.943 0.590 CB 1.398 106 residues pruned to eliminate duplicates Z: 39 34.337 2.167 0.810 0.502 0.947 0.553 CA 1.495 39 residues pruned to eliminate duplicates Z: 27 19.961 2.088 0.498 0.421 0.885 0.500 CB 1.536 27 residues pruned to eliminate duplicates Z: 47 34.556 2.175 0.654 0.520 0.935 0.565 CA 1.485 47 residues pruned to eliminate duplicates Z: 46 36.581 2.210 0.706 0.520 0.911 0.600 CA 1.557 46 residues pruned to eliminate duplicates Z: 64 44.956 2.183 0.708 0.524 0.952 0.571 CB 1.557 64 residues pruned to eliminate duplicates Z: 64 44.263 2.192 0.713 0.524 0.952 0.587 CB 1.524 64 residues pruned to eliminate duplicates Z: 82 43.531 2.134 0.626 0.560 0.963 0.568 CB 1.366 82 residues pruned to eliminate duplicates Z: 106 49.225 2.143 0.635 0.565 0.924 0.562 CB 1.393 106 residues pruned to eliminate duplicates Z: 56 43.065 2.183 0.759 0.552 0.945 0.564 CB 1.520 56 residues pruned to eliminate duplicates Z: 91 51.451 2.181 0.675 0.575 0.956 0.611 CB 1.446 91 residues pruned to eliminate duplicates Z: 106 49.570 2.139 0.693 0.569 0.914 0.571 CB 1.367 106 residues pruned to eliminate duplicates Z: 54 24.660 2.035 0.530 0.364 0.830 0.434 CB 1.517 54 residues pruned to eliminate duplicates Z: 68 40.334 2.162 0.576 0.566 0.940 0.582 CB 1.443 68 residues pruned to eliminate duplicates Z: 48 41.283 2.188 0.827 0.529 0.957 0.532 CB 1.528 48 residues pruned to eliminate duplicates Z: 106 53.312 2.150 0.707 0.567 0.952 0.581 CB 1.396 106 residues pruned to eliminate duplicates Z: 80 39.389 2.113 0.562 0.578 0.937 0.544 CB 1.330 80 residues pruned to eliminate duplicates Z: 101 40.864 2.054 0.532 0.542 0.930 0.650 CB 1.340 101 residues pruned to eliminate duplicates Z: 65 41.395 2.158 0.617 0.576 0.938 0.578 CB 1.470 65 residues pruned to eliminate duplicates Z: 63 32.922 2.090 0.535 0.582 0.952 0.597 CB 1.266 63 residues pruned to eliminate duplicates Z: 73 38.709 2.150 0.595 0.552 0.903 0.639 CB 1.401 73 residues pruned to eliminate duplicates Z: 50 34.742 2.089 0.610 0.601 0.939 0.612 CB 1.428 50 residues pruned to eliminate duplicates Z: 61 36.086 2.117 0.603 0.599 0.967 0.600 CB 1.292 61 residues pruned to eliminate duplicates Z: 105 52.287 2.154 0.651 0.561 0.962 0.596 CB 1.413 105 residues pruned to eliminate duplicates Z: 58 35.969 2.124 0.625 0.589 0.982 0.596 CB 1.290 58 residues pruned to eliminate duplicates Z: 21 17.204 2.069 0.458 0.468 0.950 0.600 CB 1.386 21 residues pruned to eliminate duplicates Z: 47 34.523 2.135 0.614 0.617 0.978 0.674 CB 1.352 47 residues pruned to eliminate duplicates Z: 107 54.052 2.152 0.659 0.566 0.991 0.604 CB 1.392 107 residues pruned to eliminate duplicates Z: 79 36.626 2.047 0.516 0.588 0.962 0.577 CB 1.278 79 residues pruned to eliminate duplicates Z: 7 5.818 1.515 0.836 0.392 0.833 0.667 C 1.148 7 residues pruned to eliminate duplicates Z: 98 47.391 2.115 0.672 0.571 0.938 0.608 CB 1.355 98 residues pruned to eliminate duplicates Z: 28 18.169 1.957 0.644 0.563 0.889 0.630 CB 1.150 28 residues pruned to eliminate duplicates Z: 63 37.136 2.095 0.573 0.626 0.968 0.645 CB 1.313 63 residues pruned to eliminate duplicates Z: 57 31.629 2.057 0.562 0.592 0.946 0.625 CB 1.274 57 residues pruned to eliminate duplicates Z: 106 51.460 2.144 0.620 0.579 0.971 0.648 CB 1.380 106 residues pruned to eliminate duplicates Z: 62 34.618 2.070 0.620 0.597 0.918 0.557 CB 1.312 62 residues pruned to eliminate duplicates Z: 62 40.097 2.120 0.678 0.615 0.984 0.557 CB 1.316 62 residues pruned to eliminate duplicates Z: 57 35.175 2.124 0.597 0.619 0.946 0.679 CB 1.308 57 residues pruned to eliminate duplicates Z: 86 41.343 2.109 0.576 0.589 0.941 0.659 CB 1.317 86 residues pruned to eliminate duplicates Z: 106 52.480 2.136 0.731 0.562 0.952 0.581 CB 1.370 106 residues pruned to eliminate duplicates Z: 47 34.270 2.111 0.713 0.612 0.913 0.696 CB 1.376 47 residues pruned to eliminate duplicates Z: 63 32.658 2.086 0.537 0.598 0.935 0.694 CB 1.259 63 residues pruned to eliminate duplicates Z: 106 52.932 2.141 0.690 0.581 0.952 0.657 CB 1.386 106 residues pruned to eliminate duplicates Z: 63 34.566 2.068 0.603 0.597 0.935 0.629 CB 1.291 63 residues pruned to eliminate duplicates Z: 123 50.403 2.089 0.627 0.555 0.951 0.631 CB 1.338 123 residues pruned to eliminate duplicates Z: 61 37.669 2.127 0.580 0.612 0.967 0.683 CB 1.346 61 residues pruned to eliminate duplicates Z: 106 52.682 2.137 0.665 0.572 0.943 0.610 CB 1.429 106 residues pruned to eliminate duplicates Z: 65 35.151 2.035 0.617 0.583 0.969 0.609 CB 1.273 65 residues pruned to eliminate duplicates Z: 64 36.617 2.093 0.590 0.614 0.984 0.571 CB 1.264 64 residues pruned to eliminate duplicates Z: 59 36.579 2.092 0.664 0.588 0.966 0.586 CB 1.313 59 residues pruned to eliminate duplicates Z: 19 14.711 1.969 0.431 0.583 0.944 0.556 CB 1.204 19 residues pruned to eliminate duplicates Z: 44 25.515 2.031 0.561 0.621 0.907 0.651 CB 1.207 44 residues pruned to eliminate duplicates Z: 106 53.581 2.138 0.704 0.562 0.962 0.619 CB 1.406 106 residues pruned to eliminate duplicates Z: 21 16.336 1.998 0.589 0.565 0.900 0.450 CB 1.200 21 residues pruned to eliminate duplicates Z: 80 46.021 2.118 0.696 0.589 0.962 0.646 CB 1.376 80 residues pruned to eliminate duplicates Z: 62 37.554 2.116 0.593 0.613 0.984 0.623 CB 1.303 62 residues pruned to eliminate duplicates Z: 63 35.255 2.055 0.608 0.579 0.952 0.629 CB 1.319 63 residues pruned to eliminate duplicates Z: 61 37.080 2.093 0.675 0.578 0.967 0.617 CB 1.310 61 residues pruned to eliminate duplicates Z: 106 55.639 2.141 0.754 0.568 0.962 0.638 CB 1.407 106 residues pruned to eliminate duplicates Z: 10 5.762 1.761 0.235 0.526 0.889 0.667 CB 0.969 10 residues pruned to eliminate duplicates Z: 59 32.171 2.041 0.603 0.643 0.966 0.707 CB 1.170 59 residues pruned to eliminate duplicates Z: 9 5.713 1.865 0.317 0.573 0.875 0.625 CB 0.876 9 residues pruned to eliminate duplicates Z: 79 39.472 2.062 0.624 0.613 0.962 0.615 CB 1.247 79 residues pruned to eliminate duplicates Z: 9 6.373 1.802 0.273 0.571 1.000 0.375 CB 0.918 9 residues pruned to eliminate duplicates Z: 10 6.764 1.950 0.264 0.571 0.889 0.333 CB 0.961 10 residues pruned to eliminate duplicates Z: 25 17.643 2.005 0.513 0.592 0.917 0.542 CB 1.186 25 residues pruned to eliminate duplicates Z: 82 31.866 2.009 0.629 0.549 0.852 0.556 CB 1.211 82 residues pruned to eliminate duplicates Z: 121 51.635 2.094 0.728 0.545 0.933 0.550 CB 1.336 121 residues pruned to eliminate duplicates Z: 77 39.386 2.089 0.606 0.602 0.947 0.605 CB 1.290 77 residues pruned to eliminate duplicates Z: 17 16.620 1.897 0.875 0.527 0.938 0.625 CB 1.212 17 residues pruned to eliminate duplicates Z: 26 16.005 1.904 0.569 0.617 0.920 0.640 CB 1.042 26 residues pruned to eliminate duplicates Z: 31 18.241 1.960 0.519 0.599 0.967 0.633 CB 1.053 32 residues pruned to eliminate duplicates Z: 11 13.748 2.040 0.692 0.638 0.900 0.800 CB 1.229 11 residues pruned to eliminate duplicates Z: 12 17.847 2.008 1.020 0.640 1.000 0.818 CB 1.163 11 residues pruned to eliminate duplicates Z: 9 21.658 2.084 0.973 0.821 1.000 0.750 CA 1.410 10 residues pruned to eliminate duplicates Z: 10 17.072 1.915 1.077 0.785 0.889 0.444 CA 1.252 10 residues pruned to eliminate duplicates Z: 26 20.667 1.933 0.861 0.589 0.960 0.520 CB 1.099 26 residues pruned to eliminate duplicates Z: 29 18.555 1.916 0.767 0.532 0.964 0.500 CB 1.040 28 residues pruned to eliminate duplicates Z: 10 18.463 1.923 0.838 0.820 1.000 1.000 CA 1.320 10 residues pruned to eliminate duplicates Z: 77 40.394 2.082 0.656 0.603 0.961 0.632 CB 1.269 77 residues pruned to eliminate duplicates Z: 33 20.663 1.947 0.649 0.612 0.969 0.656 CB 1.056 33 residues pruned to eliminate duplicates Z: 84 46.316 2.174 0.549 0.611 0.928 0.663 CB 1.465 84 residues pruned to eliminate duplicates Z: 142 59.974 2.172 0.594 0.615 0.943 0.596 CB 1.388 142 residues pruned to eliminate duplicates Z: 44 39.413 2.009 0.852 0.710 0.953 0.651 CB 1.401 44 residues pruned to eliminate duplicates Z: 62 35.994 2.098 0.568 0.677 0.934 0.623 CB 1.274 62 residues pruned to eliminate duplicates Z: 24 32.364 2.184 0.635 0.812 0.957 0.739 CB 1.506 24 residues pruned to eliminate duplicates Z: 25 31.816 2.128 0.771 0.778 0.958 0.625 CB 1.407 25 residues pruned to eliminate duplicates Z: 84 46.685 2.157 0.553 0.624 0.964 0.614 CB 1.413 84 residues pruned to eliminate duplicates Z: 45 34.851 2.184 0.638 0.729 0.932 0.591 CB 1.283 45 residues pruned to eliminate duplicates Z: 83 46.357 2.185 0.662 0.610 0.927 0.622 CB 1.370 83 residues pruned to eliminate duplicates Z: 125 59.558 2.189 0.612 0.620 0.960 0.589 CB 1.411 125 residues pruned to eliminate duplicates Z: 25 27.573 2.143 0.677 0.757 0.875 0.750 CB 1.423 25 residues pruned to eliminate duplicates Z: 28 30.626 2.053 0.887 0.718 0.926 0.519 CB 1.350 28 residues pruned to eliminate duplicates Z: 139 59.824 2.154 0.649 0.618 0.935 0.638 CB 1.371 139 residues pruned to eliminate duplicates Z: 32 32.008 2.063 0.806 0.685 0.935 0.516 CB 1.392 32 residues pruned to eliminate duplicates Z: 55 38.384 2.214 0.690 0.698 0.870 0.685 CB 1.338 55 residues pruned to eliminate duplicates Z: 29 38.183 2.138 1.141 0.726 0.929 0.607 CB 1.385 29 residues pruned to eliminate duplicates Z: 33 36.969 2.114 0.989 0.726 0.906 0.656 CB 1.399 33 residues pruned to eliminate duplicates Z: 30 32.819 2.117 0.856 0.734 0.897 0.586 CB 1.402 30 residues pruned to eliminate duplicates Z: 37 29.717 2.176 0.706 0.683 0.861 0.583 CB 1.310 37 residues pruned to eliminate duplicates Z: 126 61.712 2.191 0.693 0.623 0.920 0.656 CB 1.440 126 residues pruned to eliminate duplicates Z: 54 42.237 2.171 0.786 0.686 0.925 0.566 CB 1.364 54 residues pruned to eliminate duplicates Z: 57 36.024 2.008 0.815 0.673 0.857 0.607 CB 1.314 57 residues pruned to eliminate duplicates Z: 43 40.918 2.050 0.950 0.704 0.929 0.595 CB 1.412 55 residues pruned to eliminate duplicates Z: 6 4.002 1.488 0.339 0.477 0.800 0.600 N 1.149 6 residues pruned to eliminate duplicates Z: 126 61.078 2.185 0.691 0.615 0.952 0.600 CB 1.393 126 residues pruned to eliminate duplicates Z: 38 29.685 2.159 0.663 0.600 0.892 0.649 CB 1.386 38 residues pruned to eliminate duplicates Z: 62 43.873 2.181 0.680 0.654 0.967 0.557 CB 1.374 62 residues pruned to eliminate duplicates Z: 32 33.220 2.155 0.848 0.729 0.871 0.613 CB 1.400 32 residues pruned to eliminate duplicates Z: 34 29.322 2.190 0.675 0.668 0.848 0.697 CB 1.404 34 residues pruned to eliminate duplicates Z: 12 7.345 2.119 0.324 0.473 0.818 0.364 CB 0.991 12 residues pruned to eliminate duplicates Z: 107 52.263 2.160 0.638 0.584 0.953 0.557 CB 1.388 107 residues pruned to eliminate duplicates Z: 94 52.199 2.186 0.689 0.591 0.957 0.602 CB 1.404 94 residues pruned to eliminate duplicates Z: 83 48.981 2.180 0.662 0.621 0.951 0.561 CB 1.400 83 residues pruned to eliminate duplicates Z: 106 52.941 2.166 0.616 0.579 0.971 0.562 CB 1.407 106 residues pruned to eliminate duplicates Z: 25 22.369 2.189 0.534 0.529 0.917 0.542 CB 1.441 25 residues pruned to eliminate duplicates Z: 22 25.078 2.198 0.734 0.599 0.952 0.524 CB 1.372 22 residues pruned to eliminate duplicates Z: 48 36.077 2.188 0.585 0.543 0.979 0.447 CB 1.487 48 residues pruned to eliminate duplicates Z: 16 28.340 2.301 0.773 0.635 1.000 0.600 CA 1.580 16 residues pruned to eliminate duplicates Z: 22 24.323 2.265 0.538 0.719 1.000 0.571 CB 1.250 22 residues pruned to eliminate duplicates Z: 26 26.765 2.207 0.869 0.534 0.880 0.480 CA 1.425 26 residues pruned to eliminate duplicates Z: 99 49.021 2.178 0.564 0.578 0.959 0.551 CB 1.407 99 residues pruned to eliminate duplicates Z: 92 52.325 2.190 0.662 0.574 0.967 0.538 CB 1.451 92 residues pruned to eliminate duplicates Z: 25 31.701 2.241 0.804 0.567 1.000 0.542 CA 1.500 25 residues pruned to eliminate duplicates Z: 60 41.695 2.157 0.631 0.510 0.983 0.508 CB 1.553 60 residues pruned to eliminate duplicates Z: 22 25.538 2.190 0.817 0.560 0.952 0.476 CA 1.386 22 residues pruned to eliminate duplicates Z: 25 28.547 2.203 0.890 0.514 0.958 0.417 CA 1.440 25 residues pruned to eliminate duplicates Z: 108 55.140 2.152 0.685 0.587 0.972 0.551 CB 1.391 108 residues pruned to eliminate duplicates Z: 23 27.875 2.234 0.772 0.525 1.000 0.409 CA 1.465 23 residues pruned to eliminate duplicates Z: 90 52.503 2.190 0.706 0.576 0.944 0.551 CB 1.467 90 residues pruned to eliminate duplicates Z: 91 53.688 2.182 0.674 0.576 0.978 0.544 CB 1.472 91 residues pruned to eliminate duplicates Z: 56 47.245 2.218 0.730 0.561 0.982 0.600 CB 1.594 56 residues pruned to eliminate duplicates Z: 107 52.814 2.163 0.678 0.576 0.943 0.547 CB 1.392 107 residues pruned to eliminate duplicates Z: 92 51.938 2.185 0.657 0.555 0.967 0.549 CB 1.474 92 residues pruned to eliminate duplicates Z: 100 51.665 2.156 0.714 0.559 0.970 0.535 CB 1.368 100 residues pruned to eliminate duplicates Z: 48 30.722 2.141 0.596 0.485 0.915 0.468 CA 1.456 48 residues pruned to eliminate duplicates Z: 92 50.577 2.171 0.697 0.562 0.934 0.560 CB 1.451 92 residues pruned to eliminate duplicates Z: 105 56.285 2.177 0.720 0.568 0.962 0.606 CB 1.435 105 residues pruned to eliminate duplicates Z: 91 51.164 2.166 0.686 0.570 0.956 0.567 CB 1.445 91 residues pruned to eliminate duplicates Z: 90 49.889 2.181 0.689 0.562 0.944 0.584 CB 1.432 90 residues pruned to eliminate duplicates Z: 90 54.285 2.196 0.699 0.574 0.966 0.562 CB 1.487 90 residues pruned to eliminate duplicates Z: 64 44.187 2.183 0.751 0.518 0.905 0.476 CA 1.581 64 residues pruned to eliminate duplicates Z: 106 55.296 2.165 0.678 0.559 0.990 0.562 CB 1.416 106 residues pruned to eliminate duplicates Z: 47 41.046 2.197 0.763 0.527 1.000 0.565 CA 1.521 47 residues pruned to eliminate duplicates Z: 102 46.786 2.073 0.655 0.557 0.950 0.634 CB 1.350 102 residues pruned to eliminate duplicates Z: 91 55.006 2.198 0.761 0.567 0.967 0.578 CB 1.452 91 residues pruned to eliminate duplicates Z: 46 34.615 2.199 0.751 0.520 0.911 0.444 CA 1.443 46 residues pruned to eliminate duplicates Z: 106 55.282 2.174 0.668 0.574 0.971 0.610 CB 1.426 106 residues pruned to eliminate duplicates Z: 25 23.437 2.158 0.554 0.451 1.000 0.500 CA 1.499 25 residues pruned to eliminate duplicates Z: 98 54.461 2.183 0.678 0.569 0.979 0.608 CB 1.442 98 residues pruned to eliminate duplicates Z: 106 58.213 2.176 0.731 0.578 0.981 0.571 CB 1.426 106 residues pruned to eliminate duplicates Z: 91 53.822 2.181 0.715 0.579 0.967 0.589 CB 1.455 91 residues pruned to eliminate duplicates Z: 91 51.424 2.180 0.673 0.566 0.978 0.600 CB 1.426 91 residues pruned to eliminate duplicates Z: 91 51.701 2.177 0.597 0.575 0.989 0.600 CB 1.475 91 residues pruned to eliminate duplicates Z: 72 41.573 2.120 0.650 0.548 0.958 0.662 CB 1.405 72 residues pruned to eliminate duplicates Z: 90 52.644 2.186 0.765 0.568 0.955 0.573 CB 1.419 90 residues pruned to eliminate duplicates Z: 84 44.417 2.126 0.677 0.570 0.940 0.542 CB 1.360 84 residues pruned to eliminate duplicates Z: 86 44.501 2.128 0.658 0.562 0.953 0.612 CB 1.352 86 residues pruned to eliminate duplicates Z: 65 44.710 2.184 0.704 0.539 0.953 0.516 CB 1.517 65 residues pruned to eliminate duplicates Z: 49 34.414 2.124 0.645 0.617 0.958 0.604 CB 1.328 49 residues pruned to eliminate duplicates Z: 62 35.288 2.124 0.593 0.610 0.934 0.590 CB 1.287 62 residues pruned to eliminate duplicates Z: 47 38.648 2.172 0.757 0.608 0.978 0.652 CB 1.378 47 residues pruned to eliminate duplicates Z: 61 34.207 2.125 0.649 0.607 0.917 0.567 CB 1.242 61 residues pruned to eliminate duplicates Z: 65 34.669 2.083 0.604 0.579 0.938 0.656 CB 1.282 65 residues pruned to eliminate duplicates Z: 48 34.828 2.140 0.617 0.605 0.979 0.723 CB 1.358 48 residues pruned to eliminate duplicates Z: 46 35.804 2.161 0.650 0.633 0.978 0.667 CB 1.352 46 residues pruned to eliminate duplicates Z: 105 52.782 2.152 0.720 0.560 0.952 0.587 CB 1.386 105 residues pruned to eliminate duplicates Z: 105 53.581 2.162 0.680 0.564 0.971 0.635 CB 1.399 105 residues pruned to eliminate duplicates Z: 78 40.540 2.067 0.677 0.603 0.974 0.636 CB 1.240 78 residues pruned to eliminate duplicates Z: 53 34.464 2.087 0.743 0.564 0.962 0.692 CB 1.284 53 residues pruned to eliminate duplicates Z: 45 31.366 2.166 0.653 0.586 0.909 0.614 CB 1.338 45 residues pruned to eliminate duplicates Z: 47 36.114 2.134 0.701 0.606 1.000 0.652 CB 1.326 47 residues pruned to eliminate duplicates Z: 49 34.587 2.117 0.624 0.622 0.979 0.667 CB 1.322 49 residues pruned to eliminate duplicates Z: 104 50.109 2.148 0.713 0.546 0.951 0.573 CB 1.348 104 residues pruned to eliminate duplicates Z: 99 56.456 2.191 0.739 0.581 0.969 0.673 CB 1.429 99 residues pruned to eliminate duplicates Z: 90 55.099 2.180 0.755 0.581 0.978 0.629 CB 1.445 90 residues pruned to eliminate duplicates Z: 106 53.352 2.155 0.687 0.565 0.943 0.590 CB 1.426 106 residues pruned to eliminate duplicates Z: 91 49.498 2.168 0.715 0.558 0.933 0.611 CB 1.422 91 residues pruned to eliminate duplicates Z: 105 53.437 2.151 0.700 0.564 0.971 0.644 CB 1.386 105 residues pruned to eliminate duplicates Z: 25 21.238 2.084 0.569 0.655 0.917 0.667 CB 1.252 25 residues pruned to eliminate duplicates Z: 91 52.998 2.191 0.726 0.577 0.956 0.600 CB 1.435 91 residues pruned to eliminate duplicates Z: 72 45.048 2.140 0.772 0.581 0.930 0.606 CB 1.403 72 residues pruned to eliminate duplicates Z: 106 56.659 2.155 0.757 0.583 0.971 0.552 CB 1.388 106 residues pruned to eliminate duplicates Z: 106 59.119 2.169 0.745 0.579 0.990 0.600 CB 1.426 106 residues pruned to eliminate duplicates Z: 62 39.217 2.127 0.653 0.626 0.984 0.607 CB 1.289 62 residues pruned to eliminate duplicates Z: 108 53.575 2.157 0.653 0.580 0.972 0.636 CB 1.383 108 residues pruned to eliminate duplicates Z: 48 39.023 2.135 0.798 0.615 0.957 0.702 CB 1.389 48 residues pruned to eliminate duplicates Z: 70 44.920 2.150 0.682 0.569 0.971 0.681 CB 1.441 70 residues pruned to eliminate duplicates Z: 98 55.311 2.186 0.753 0.572 0.969 0.639 CB 1.411 98 residues pruned to eliminate duplicates Z: 48 37.570 2.137 0.749 0.624 0.957 0.702 CB 1.362 48 residues pruned to eliminate duplicates Z: 121 56.940 2.129 0.753 0.563 0.942 0.583 CB 1.391 121 residues pruned to eliminate duplicates Z: 48 36.917 2.103 0.850 0.619 0.957 0.660 CB 1.292 48 residues pruned to eliminate duplicates Z: 47 38.681 2.148 0.807 0.636 0.957 0.696 CB 1.352 47 residues pruned to eliminate duplicates Z: 47 39.856 2.149 0.815 0.619 0.978 0.630 CB 1.377 47 residues pruned to eliminate duplicates Z: 62 37.843 2.100 0.743 0.610 0.934 0.623 CB 1.276 62 residues pruned to eliminate duplicates Z: 62 37.002 2.106 0.659 0.589 0.967 0.541 CB 1.287 62 residues pruned to eliminate duplicates Z: 46 37.641 2.161 0.740 0.643 0.956 0.622 CB 1.366 46 residues pruned to eliminate duplicates Z: 72 44.711 2.128 0.756 0.596 0.972 0.620 CB 1.332 72 residues pruned to eliminate duplicates Z: 109 56.164 2.158 0.751 0.599 0.944 0.611 CB 1.378 109 residues pruned to eliminate duplicates Z: 26 20.458 2.097 0.662 0.719 0.880 0.680 CB 1.095 26 residues pruned to eliminate duplicates Z: 63 39.337 2.120 0.698 0.613 0.968 0.629 CB 1.289 63 residues pruned to eliminate duplicates Z: 64 41.628 2.104 0.707 0.602 1.000 0.698 CB 1.325 64 residues pruned to eliminate duplicates Z: 51 36.897 2.134 0.721 0.598 0.960 0.660 CB 1.348 51 residues pruned to eliminate duplicates Z: 66 35.514 2.077 0.589 0.607 0.938 0.492 CB 1.286 66 residues pruned to eliminate duplicates Z: 106 54.405 2.159 0.687 0.571 0.962 0.590 CB 1.415 106 residues pruned to eliminate duplicates Z: 64 35.594 2.067 0.613 0.606 0.937 0.603 CB 1.299 64 residues pruned to eliminate duplicates Z: 106 52.426 2.145 0.682 0.564 0.971 0.552 CB 1.372 106 residues pruned to eliminate duplicates Z: 57 39.800 2.123 0.768 0.604 0.946 0.607 CB 1.356 57 residues pruned to eliminate duplicates Z: 106 52.780 2.162 0.676 0.569 0.933 0.610 CB 1.424 106 residues pruned to eliminate duplicates Z: 90 45.130 2.108 0.699 0.557 0.944 0.596 CB 1.339 90 residues pruned to eliminate duplicates Z: 64 40.225 2.100 0.665 0.612 1.000 0.635 CB 1.303 64 residues pruned to eliminate duplicates Z: 49 27.228 2.042 0.692 0.592 0.875 0.479 CB 1.190 49 residues pruned to eliminate duplicates Z: 79 35.604 2.049 0.632 0.600 0.885 0.628 CB 1.240 79 residues pruned to eliminate duplicates Z: 10 5.992 1.857 0.457 0.555 0.889 0.222 CB 0.787 10 residues pruned to eliminate duplicates Z: 61 34.320 2.087 0.681 0.597 0.900 0.617 CB 1.279 61 residues pruned to eliminate duplicates Z: 84 36.340 2.040 0.589 0.575 0.904 0.578 CB 1.267 84 residues pruned to eliminate duplicates Z: 115 46.231 2.091 0.659 0.553 0.921 0.605 CB 1.287 115 residues pruned to eliminate duplicates Z: 25 16.138 1.965 0.500 0.577 0.917 0.542 CB 1.132 25 residues pruned to eliminate duplicates Z: 26 13.921 1.937 0.629 0.572 0.800 0.560 CB 1.029 26 residues pruned to eliminate duplicates Z: 58 27.674 1.956 0.566 0.543 0.912 0.561 CB 1.257 58 residues pruned to eliminate duplicates Z: 36 24.441 1.975 0.651 0.573 0.971 0.600 CB 1.215 34 residues pruned to eliminate duplicates Z: 14 11.372 1.903 0.573 0.654 1.000 0.692 CB 0.913 14 residues pruned to eliminate duplicates Z: 49 26.599 1.985 0.705 0.620 0.938 0.604 CB 1.081 49 residues pruned to eliminate duplicates Z: 19 14.694 1.921 0.645 0.627 0.944 0.722 CB 1.030 19 residues pruned to eliminate duplicates Z: 122 55.794 2.132 0.690 0.567 0.983 0.612 CB 1.341 122 residues pruned to eliminate duplicates Z: 21 18.405 1.861 0.751 0.633 1.000 0.750 CB 1.115 21 residues pruned to eliminate duplicates Z: 10 12.079 1.918 0.591 0.807 0.889 0.778 CA 1.135 10 residues pruned to eliminate duplicates Z: 25 20.713 1.927 0.797 0.565 0.917 0.583 CB 1.251 26 residues pruned to eliminate duplicates Z: 10 18.108 1.934 1.119 0.838 0.889 0.778 CA 1.238 10 residues pruned to eliminate duplicates Z: 78 43.859 2.078 0.802 0.601 0.974 0.701 CB 1.244 78 residues pruned to eliminate duplicates Z: 25 19.902 1.886 0.737 0.620 0.958 0.583 CB 1.155 25 residues pruned to eliminate duplicates Z: 18 19.199 1.769 0.573 0.849 0.941 0.588 CB 1.318 18 residues pruned to eliminate duplicates Z: 18 20.457 1.776 0.603 0.841 1.000 0.588 CB 1.299 18 residues pruned to eliminate duplicates Z: 20 18.462 1.730 0.474 0.855 1.000 0.684 CB 1.226 20 residues pruned to eliminate duplicates Z: 19 17.559 1.759 0.445 0.846 1.000 0.444 CB 1.210 19 residues pruned to eliminate duplicates Z: 19 17.501 1.742 0.463 0.842 0.944 0.611 CB 1.277 19 residues pruned to eliminate duplicates Z: 18 17.781 1.784 0.369 0.830 1.000 0.588 CB 1.328 18 residues pruned to eliminate duplicates Z: 18 19.069 1.804 0.631 0.923 0.882 0.647 CB 1.253 18 residues pruned to eliminate duplicates Z: 18 18.214 1.807 0.551 0.890 0.941 0.412 CB 1.204 18 residues pruned to eliminate duplicates Z: 18 19.998 1.773 0.591 0.841 1.000 0.471 CB 1.282 18 residues pruned to eliminate duplicates Z: 18 17.915 1.798 0.631 0.894 0.882 0.588 CB 1.205 18 residues pruned to eliminate duplicates Z: 17 18.458 1.817 0.625 0.881 0.875 0.438 CB 1.293 17 residues pruned to eliminate duplicates Z: 18 21.136 1.768 0.753 0.832 1.000 0.353 CB 1.242 18 residues pruned to eliminate duplicates Z: 17 18.982 1.824 0.488 0.894 0.938 0.250 CB 1.338 17 residues pruned to eliminate duplicates Z: 11 11.832 1.693 0.888 0.808 0.800 0.300 CB 1.119 11 residues pruned to eliminate duplicates Z: 18 21.428 1.799 0.805 0.903 0.941 0.353 CB 1.212 18 residues pruned to eliminate duplicates Z: 17 23.168 1.827 0.731 0.874 1.000 0.250 CB 1.333 17 residues pruned to eliminate duplicates Z: 18 16.340 1.810 0.544 0.886 1.000 0.706 CB 1.024 18 residues pruned to eliminate duplicates Z: 18 20.122 1.792 0.810 0.925 1.000 0.882 CB 1.056 18 residues pruned to eliminate duplicates Z: 21 16.934 1.689 0.695 0.828 1.000 0.750 CB 0.996 21 residues pruned to eliminate duplicates Z: 20 15.516 1.732 0.690 0.806 1.000 0.842 CB 0.931 20 residues pruned to eliminate duplicates Z: 20 17.921 1.716 0.725 0.848 1.000 0.737 CB 1.031 20 residues pruned to eliminate duplicates Z: 18 19.350 1.826 0.764 0.891 1.000 0.765 CB 1.047 18 residues pruned to eliminate duplicates Z: 19 20.017 1.787 0.713 0.914 1.000 0.889 CB 1.090 19 residues pruned to eliminate duplicates Z: 19 21.367 1.783 0.842 0.923 1.000 0.833 CB 1.078 19 residues pruned to eliminate duplicates Z: 19 19.593 1.785 0.749 0.928 1.000 0.889 CB 1.036 19 residues pruned to eliminate duplicates Z: 19 19.129 1.770 0.855 0.896 0.944 0.889 CB 1.041 19 residues pruned to eliminate duplicates Z: 21 17.614 1.691 0.785 0.819 1.000 0.800 CB 0.989 21 residues pruned to eliminate duplicates Z: 19 19.989 1.775 0.768 0.902 1.000 0.667 CB 1.071 19 residues pruned to eliminate duplicates Z: 19 21.387 1.768 0.840 0.927 1.000 0.722 CB 1.086 19 residues pruned to eliminate duplicates Z: 19 20.955 1.775 0.735 0.929 1.000 0.722 CB 1.122 19 residues pruned to eliminate duplicates Z: 19 17.381 1.745 0.667 0.902 1.000 0.389 CB 1.005 19 residues pruned to eliminate duplicates Z: 20 15.750 1.697 0.748 0.799 1.000 0.421 CB 0.938 20 residues pruned to eliminate duplicates Z: 8 8.139 1.913 0.277 0.611 1.000 0.429 CB 1.133 8 residues pruned to eliminate duplicates Z: 10 10.197 1.707 0.464 0.678 1.000 0.667 CB 1.155 11 residues pruned to eliminate duplicates Z: 9 6.842 1.758 0.278 0.595 0.875 0.750 CB 1.123 9 residues pruned to eliminate duplicates Z: 10 5.364 1.754 0.242 0.509 0.889 0.444 CB 0.915 10 residues pruned to eliminate duplicates Z: 10 5.295 1.696 0.249 0.486 0.889 0.444 CB 0.952 10 residues pruned to eliminate duplicates Z: 9 5.337 1.751 0.214 0.510 0.875 0.375 CB 1.004 9 residues pruned to eliminate duplicates Z: 17 14.174 1.946 0.429 0.522 0.938 0.812 CA 1.330 17 residues pruned to eliminate duplicates Z: 46 30.354 2.097 0.766 0.557 0.933 0.644 CB 1.239 46 residues pruned to eliminate duplicates Z: 7 5.103 1.699 0.666 0.450 0.667 0.333 CB 1.161 7 residues pruned to eliminate duplicates Z: 45 32.496 2.137 0.717 0.512 0.932 0.545 CB 1.415 45 residues pruned to eliminate duplicates Z: 8 5.343 1.632 0.588 0.487 0.714 0.429 CB 1.105 9 residues pruned to eliminate duplicates Z: 6 7.315 1.573 0.497 0.691 1.000 0.600 O 1.166 6 residues pruned to eliminate duplicates Z: 46 30.516 2.071 0.681 0.546 0.956 0.556 CB 1.307 46 residues pruned to eliminate duplicates Z: 10 13.841 2.022 1.048 0.601 0.889 0.667 CB 1.139 9 residues pruned to eliminate duplicates Z: 7 2.167 1.498 0.531 0.153 0.833 0.500 CB 0.710 7 residues pruned to eliminate duplicates Z: 8 17.886 2.082 1.114 0.695 0.857 0.714 CA 1.499 9 residues pruned to eliminate duplicates Z: 6 2.740 1.577 0.881 0.368 1.000 0.600 CA 0.476 Z: 7 3.768 1.648 0.300 0.460 1.000 0.500 CB 0.748 Z: 6 6.314 1.807 0.252 0.473 1.000 0.200 CA 1.282 6 residues pruned to eliminate duplicates Z: 110 49.927 2.145 0.613 0.596 0.890 0.606 CB 1.417 110 residues pruned to eliminate duplicates Z: 25 33.078 2.210 0.486 0.777 0.958 0.750 CB 1.681 25 residues pruned to eliminate duplicates Z: 25 34.798 2.145 0.532 0.801 1.000 0.708 CB 1.662 25 residues pruned to eliminate duplicates Z: 34 34.054 2.198 0.591 0.674 0.909 0.667 CB 1.588 34 residues pruned to eliminate duplicates Z: 54 35.497 2.060 0.536 0.711 0.887 0.660 CB 1.434 54 residues pruned to eliminate duplicates Z: 60 36.419 2.115 0.488 0.682 0.898 0.576 CB 1.418 60 residues pruned to eliminate duplicates Z: 25 34.808 2.147 0.681 0.790 0.958 0.667 CB 1.593 25 residues pruned to eliminate duplicates Z: 33 28.215 2.113 0.634 0.644 0.906 0.594 CB 1.393 33 residues pruned to eliminate duplicates Z: 26 34.121 2.116 0.705 0.792 0.920 0.720 CB 1.590 26 residues pruned to eliminate duplicates Z: 34 41.700 2.132 0.858 0.766 0.970 0.788 CB 1.493 34 residues pruned to eliminate duplicates Z: 27 31.553 2.142 0.673 0.719 0.923 0.654 CB 1.535 27 residues pruned to eliminate duplicates Z: 37 35.278 2.160 0.741 0.702 0.917 0.722 CB 1.419 37 residues pruned to eliminate duplicates Z: 65 52.248 2.250 0.769 0.656 0.969 0.625 CB 1.466 65 residues pruned to eliminate duplicates Z: 20 28.152 2.021 0.782 0.782 0.947 0.579 CB 1.476 20 residues pruned to eliminate duplicates Z: 26 36.144 2.116 0.742 0.791 0.960 0.600 CB 1.583 26 residues pruned to eliminate duplicates Z: 31 33.317 2.085 0.797 0.685 0.900 0.467 CB 1.521 31 residues pruned to eliminate duplicates Z: 85 53.305 2.172 0.712 0.615 0.964 0.619 CB 1.456 85 residues pruned to eliminate duplicates Z: 30 32.522 2.122 0.738 0.674 0.931 0.759 CB 1.497 30 residues pruned to eliminate duplicates Z: 33 35.870 2.112 0.814 0.753 0.906 0.594 CB 1.458 33 residues pruned to eliminate duplicates Z: 27 35.781 2.145 0.824 0.770 0.923 0.731 CB 1.529 27 residues pruned to eliminate duplicates Z: 26 36.333 2.165 0.658 0.781 0.960 0.680 CB 1.646 26 residues pruned to eliminate duplicates Z: 31 38.040 2.203 0.745 0.730 0.933 0.633 CB 1.573 31 residues pruned to eliminate duplicates Z: 85 50.724 2.171 0.693 0.607 0.929 0.607 CB 1.465 85 residues pruned to eliminate duplicates Z: 87 44.919 2.141 0.670 0.630 0.884 0.581 CB 1.357 87 residues pruned to eliminate duplicates Z: 30 39.158 2.138 0.831 0.719 0.931 0.552 CB 1.637 30 residues pruned to eliminate duplicates Z: 35 38.671 2.217 0.810 0.711 0.941 0.735 CB 1.450 35 residues pruned to eliminate duplicates Z: 85 51.199 2.170 0.683 0.604 0.940 0.667 CB 1.473 85 residues pruned to eliminate duplicates Z: 116 51.120 2.158 0.626 0.550 0.939 0.600 CB 1.377 116 residues pruned to eliminate duplicates Z: 35 38.222 2.223 0.775 0.702 0.941 0.500 CB 1.469 35 residues pruned to eliminate duplicates Z: 86 48.602 2.155 0.701 0.601 0.918 0.588 CB 1.424 86 residues pruned to eliminate duplicates Z: 36 38.348 2.180 0.745 0.689 0.943 0.514 CB 1.519 36 residues pruned to eliminate duplicates Z: 35 34.646 2.172 0.643 0.703 0.882 0.618 CB 1.570 35 residues pruned to eliminate duplicates Z: 23 31.426 2.272 0.911 0.619 0.955 0.636 CB 1.445 23 residues pruned to eliminate duplicates Z: 45 35.643 2.177 0.697 0.555 0.955 0.568 CB 1.444 46 residues pruned to eliminate duplicates Z: 9 20.255 2.015 0.848 0.902 1.000 0.875 CA 1.371 9 residues pruned to eliminate duplicates Z: 51 32.700 2.125 0.635 0.551 0.980 0.660 CB 1.293 51 residues pruned to eliminate duplicates Z: 51 38.386 2.157 0.787 0.537 1.000 0.620 CB 1.358 51 residues pruned to eliminate duplicates Z: 109 59.031 2.190 0.649 0.593 0.991 0.593 CB 1.453 109 residues pruned to eliminate duplicates Z: 100 52.496 2.169 0.630 0.588 0.970 0.667 CB 1.414 100 residues pruned to eliminate duplicates Z: 51 33.875 2.124 0.646 0.524 0.980 0.660 CB 1.366 51 residues pruned to eliminate duplicates Z: 25 27.785 2.251 0.740 0.647 0.958 0.708 CB 1.317 25 residues pruned to eliminate duplicates Z: 24 31.794 2.286 0.860 0.666 0.957 0.870 CB 1.398 24 residues pruned to eliminate duplicates Z: 24 31.995 2.279 0.861 0.654 0.957 0.739 CB 1.425 24 residues pruned to eliminate duplicates Z: 24 29.603 2.245 0.875 0.650 0.957 0.652 CB 1.332 24 residues pruned to eliminate duplicates Z: 25 30.943 2.286 0.865 0.655 0.958 0.750 CB 1.339 25 residues pruned to eliminate duplicates Z: 109 56.206 2.175 0.656 0.587 0.972 0.685 CB 1.420 109 residues pruned to eliminate duplicates Z: 49 38.486 2.154 0.804 0.528 0.979 0.583 CB 1.419 49 residues pruned to eliminate duplicates Z: 51 35.586 2.135 0.705 0.545 0.980 0.660 CB 1.350 47 residues pruned to eliminate duplicates Z: 11 18.413 1.844 0.938 0.730 1.000 0.600 CA 1.325 11 residues pruned to eliminate duplicates Z: 50 36.451 2.160 0.738 0.525 0.959 0.673 CB 1.411 50 residues pruned to eliminate duplicates Z: 39 25.557 2.071 0.637 0.436 0.895 0.526 CB 1.460 39 residues pruned to eliminate duplicates Z: 43 34.078 2.192 0.793 0.492 0.905 0.619 CB 1.491 43 residues pruned to eliminate duplicates Z: 28 38.129 2.307 0.959 0.601 1.000 0.741 CB 1.474 28 residues pruned to eliminate duplicates Z: 66 41.185 2.146 0.717 0.531 1.000 0.600 CB 1.345 66 residues pruned to eliminate duplicates Z: 124 57.775 2.165 0.632 0.546 0.976 0.691 CB 1.445 124 residues pruned to eliminate duplicates Z: 83 51.551 2.186 0.696 0.605 0.951 0.598 CB 1.461 83 residues pruned to eliminate duplicates Z: 51 36.430 2.153 0.695 0.525 0.960 0.580 CB 1.435 51 residues pruned to eliminate duplicates Z: 109 51.159 2.173 0.626 0.556 0.944 0.620 CB 1.397 109 residues pruned to eliminate duplicates Z: 51 36.301 2.146 0.757 0.537 0.960 0.600 CB 1.368 51 residues pruned to eliminate duplicates Z: 66 34.797 2.099 0.693 0.510 0.923 0.662 CB 1.302 66 residues pruned to eliminate duplicates Z: 47 33.631 2.174 0.692 0.554 0.957 0.543 CB 1.337 47 residues pruned to eliminate duplicates Z: 53 30.361 2.109 0.592 0.510 0.942 0.577 CB 1.318 53 residues pruned to eliminate duplicates Z: 53 35.643 2.112 0.779 0.516 0.962 0.596 CB 1.346 53 residues pruned to eliminate duplicates Z: 105 50.365 2.144 0.678 0.514 0.952 0.587 CB 1.422 105 residues pruned to eliminate duplicates Z: 103 47.324 2.100 0.635 0.563 0.892 0.608 CB 1.439 27 residues pruned to eliminate duplicates Z: 9 10.258 1.670 0.668 0.806 0.875 0.500 CA 1.140 9 residues pruned to eliminate duplicates Z: 83 51.568 2.182 0.723 0.609 0.939 0.573 CB 1.455 83 residues pruned to eliminate duplicates Z: 44 36.875 2.196 0.784 0.526 0.953 0.581 CB 1.467 44 residues pruned to eliminate duplicates Z: 133 56.785 2.161 0.636 0.568 0.932 0.652 CB 1.405 133 residues pruned to eliminate duplicates Z: 51 33.626 2.148 0.729 0.535 0.920 0.660 CB 1.345 51 residues pruned to eliminate duplicates Z: 50 34.936 2.167 0.771 0.507 0.939 0.612 CB 1.376 50 residues pruned to eliminate duplicates Z: 22 12.902 1.947 0.482 0.419 0.762 0.524 CB 1.394 22 residues pruned to eliminate duplicates Z: 100 48.453 2.158 0.691 0.532 0.939 0.576 CB 1.377 100 residues pruned to eliminate duplicates Z: 109 55.022 2.172 0.725 0.594 0.935 0.685 CB 1.380 109 residues pruned to eliminate duplicates Z: 64 37.449 2.111 0.742 0.477 0.937 0.587 CB 1.402 64 residues pruned to eliminate duplicates Z: 74 36.811 2.122 0.697 0.502 0.904 0.562 CB 1.321 74 residues pruned to eliminate duplicates Z: 109 56.667 2.175 0.715 0.580 0.954 0.657 CB 1.419 109 residues pruned to eliminate duplicates Z: 77 44.718 2.157 0.769 0.503 0.947 0.579 CB 1.415 77 residues pruned to eliminate duplicates Z: 68 37.533 2.129 0.687 0.545 0.955 0.612 CB 1.279 68 residues pruned to eliminate duplicates Z: 108 51.437 2.153 0.653 0.563 0.944 0.654 CB 1.393 108 residues pruned to eliminate duplicates Z: 63 43.473 2.165 0.637 0.599 1.000 0.677 CB 1.418 63 residues pruned to eliminate duplicates Z: 103 46.298 2.098 0.565 0.531 0.941 0.637 CB 1.438 103 residues pruned to eliminate duplicates Z: 125 60.317 2.178 0.667 0.595 0.976 0.685 CB 1.396 125 residues pruned to eliminate duplicates Z: 115 52.144 2.151 0.655 0.559 0.939 0.596 CB 1.380 115 residues pruned to eliminate duplicates Z: 66 41.019 2.153 0.701 0.535 0.985 0.615 CB 1.363 66 residues pruned to eliminate duplicates Z: 107 52.997 2.167 0.683 0.543 0.953 0.660 CB 1.420 107 residues pruned to eliminate duplicates Z: 102 50.853 2.135 0.605 0.569 0.950 0.673 CB 1.454 103 residues pruned to eliminate duplicates Z: 13 16.642 2.087 0.596 0.714 1.000 0.917 CB 1.188 13 residues pruned to eliminate duplicates Z: 110 58.333 2.184 0.692 0.581 0.982 0.587 CB 1.425 110 residues pruned to eliminate duplicates Z: 63 42.695 2.163 0.605 0.602 0.968 0.677 CB 1.465 63 residues pruned to eliminate duplicates Z: 66 42.580 2.128 0.647 0.575 0.969 0.646 CB 1.446 66 residues pruned to eliminate duplicates Z: 93 53.883 2.170 0.751 0.558 0.978 0.674 CB 1.429 93 residues pruned to eliminate duplicates Z: 126 61.460 2.156 0.724 0.573 0.968 0.640 CB 1.424 126 residues pruned to eliminate duplicates Z: 108 57.171 2.192 0.706 0.584 0.972 0.654 CB 1.402 108 residues pruned to eliminate duplicates Z: 80 48.347 2.154 0.652 0.557 0.975 0.646 CB 1.484 80 residues pruned to eliminate duplicates Z: 64 43.698 2.173 0.575 0.615 0.984 0.698 CB 1.467 64 residues pruned to eliminate duplicates Z: 54 40.706 2.185 0.620 0.592 1.000 0.755 CB 1.446 54 residues pruned to eliminate duplicates Z: 124 58.934 2.172 0.662 0.573 0.951 0.659 CB 1.442 124 residues pruned to eliminate duplicates Z: 106 55.951 2.188 0.665 0.572 0.971 0.629 CB 1.439 106 residues pruned to eliminate duplicates Z: 106 58.675 2.191 0.713 0.564 0.971 0.686 CB 1.476 106 residues pruned to eliminate duplicates Z: 107 58.889 2.189 0.675 0.568 0.991 0.623 CB 1.474 107 residues pruned to eliminate duplicates Z: 124 59.547 2.177 0.664 0.585 0.951 0.626 CB 1.437 124 residues pruned to eliminate duplicates Z: 63 41.655 2.157 0.555 0.605 0.984 0.758 CB 1.451 63 residues pruned to eliminate duplicates Z: 28 29.573 2.118 0.758 0.599 0.926 0.630 CB 1.501 28 residues pruned to eliminate duplicates Z: 124 56.760 2.157 0.658 0.576 0.935 0.626 CB 1.422 124 residues pruned to eliminate duplicates Z: 60 43.188 2.194 0.579 0.619 0.983 0.746 CB 1.476 60 residues pruned to eliminate duplicates Z: 101 54.323 2.185 0.709 0.571 0.970 0.640 CB 1.399 101 residues pruned to eliminate duplicates Z: 63 41.080 2.195 0.554 0.599 0.984 0.694 CB 1.415 63 residues pruned to eliminate duplicates Z: 102 50.198 2.159 0.668 0.579 0.950 0.624 CB 1.353 102 residues pruned to eliminate duplicates Z: 108 59.556 2.186 0.670 0.586 0.981 0.645 CB 1.480 108 residues pruned to eliminate duplicates Z: 57 38.176 2.146 0.643 0.588 0.946 0.696 CB 1.406 57 residues pruned to eliminate duplicates Z: 66 41.039 2.135 0.642 0.589 0.938 0.585 CB 1.420 66 residues pruned to eliminate duplicates Z: 64 41.273 2.163 0.617 0.587 0.952 0.619 CB 1.436 64 residues pruned to eliminate duplicates Z: 111 55.408 2.185 0.688 0.584 0.945 0.636 CB 1.399 111 residues pruned to eliminate duplicates Z: 65 43.241 2.152 0.671 0.583 0.953 0.688 CB 1.456 65 residues pruned to eliminate duplicates Z: 124 58.981 2.170 0.649 0.577 0.967 0.642 CB 1.427 124 residues pruned to eliminate duplicates Z: 106 56.484 2.182 0.720 0.550 0.981 0.638 CB 1.426 106 residues pruned to eliminate duplicates Z: 63 44.379 2.162 0.663 0.604 0.968 0.629 CB 1.467 63 residues pruned to eliminate duplicates Z: 108 54.402 2.162 0.655 0.569 0.972 0.664 CB 1.415 108 residues pruned to eliminate duplicates Z: 60 41.744 2.170 0.666 0.574 0.966 0.576 CB 1.449 60 residues pruned to eliminate duplicates Z: 124 62.854 2.182 0.696 0.593 0.951 0.732 CB 1.473 124 residues pruned to eliminate duplicates Z: 108 53.870 2.176 0.688 0.567 0.953 0.701 CB 1.394 108 residues pruned to eliminate duplicates Z: 27 25.899 2.081 0.451 0.634 0.962 0.731 CA 1.542 27 residues pruned to eliminate duplicates Z: 108 55.712 2.169 0.695 0.564 0.953 0.626 CB 1.444 108 residues pruned to eliminate duplicates Z: 64 42.745 2.177 0.589 0.612 0.968 0.698 CB 1.447 64 residues pruned to eliminate duplicates Z: 109 58.802 2.183 0.691 0.585 1.000 0.667 CB 1.412 109 residues pruned to eliminate duplicates Z: 35 23.713 2.044 0.519 0.514 0.941 0.529 CB 1.372 35 residues pruned to eliminate duplicates Z: 106 58.198 2.183 0.724 0.560 0.962 0.629 CB 1.480 106 residues pruned to eliminate duplicates Z: 108 57.785 2.185 0.693 0.575 0.972 0.636 CB 1.446 108 residues pruned to eliminate duplicates Z: 35 26.447 2.059 0.568 0.555 0.882 0.588 CA 1.509 35 residues pruned to eliminate duplicates Z: 17 19.360 2.134 0.440 0.550 0.938 0.625 CA 1.600 17 residues pruned to eliminate duplicates Z: 82 44.706 2.120 0.576 0.591 0.963 0.704 CB 1.415 82 residues pruned to eliminate duplicates Z: 33 22.416 2.099 0.401 0.502 0.906 0.594 CB 1.484 33 residues pruned to eliminate duplicates Z: 108 55.627 2.181 0.673 0.569 0.972 0.598 CB 1.419 108 residues pruned to eliminate duplicates Z: 143 63.419 2.170 0.695 0.589 0.930 0.585 CB 1.429 143 residues pruned to eliminate duplicates Z: 31 28.170 2.121 0.490 0.577 0.967 0.633 CB 1.563 31 residues pruned to eliminate duplicates Z: 125 59.599 2.166 0.657 0.570 0.952 0.629 CB 1.464 125 residues pruned to eliminate duplicates Z: 36 22.679 2.043 0.442 0.521 0.857 0.629 CB 1.488 36 residues pruned to eliminate duplicates Z: 104 51.841 2.134 0.681 0.563 0.922 0.650 CB 1.452 104 residues pruned to eliminate duplicates Z: 80 46.906 2.127 0.705 0.569 0.937 0.658 CB 1.453 80 residues pruned to eliminate duplicates Z: 19 20.488 2.052 0.657 0.561 0.944 0.667 CB 1.417 18 residues pruned to eliminate duplicates Z: 10 14.367 2.089 0.452 0.781 1.000 0.778 CB 1.233 10 residues pruned to eliminate duplicates Z: 33 24.747 2.099 0.458 0.551 0.906 0.594 CB 1.501 33 residues pruned to eliminate duplicates Z: 26 22.342 1.972 0.525 0.590 0.920 0.680 CB 1.481 26 residues pruned to eliminate duplicates Z: 36 25.838 2.056 0.561 0.526 0.914 0.657 CB 1.451 38 residues pruned to eliminate duplicates Z: 11 19.225 2.128 0.498 0.633 1.000 0.700 CA 1.682 11 residues pruned to eliminate duplicates Z: 124 62.521 2.179 0.715 0.583 0.984 0.634 CB 1.417 124 residues pruned to eliminate duplicates Z: 80 48.976 2.128 0.683 0.601 0.962 0.684 CB 1.453 80 residues pruned to eliminate duplicates Z: 104 53.080 2.120 0.642 0.549 0.971 0.602 CB 1.474 101 residues pruned to eliminate duplicates Z: 11 16.921 2.020 0.583 0.805 1.000 0.800 CA 1.283 11 residues pruned to eliminate duplicates Z: 123 57.721 2.162 0.711 0.563 0.918 0.623 CB 1.448 123 residues pruned to eliminate duplicates Z: 33 28.786 2.049 0.779 0.589 0.938 0.531 CB 1.367 33 residues pruned to eliminate duplicates Z: 33 33.497 2.113 0.750 0.620 0.969 0.656 CB 1.476 36 residues pruned to eliminate duplicates Z: 10 26.041 2.072 0.797 0.919 1.000 0.667 CB 1.644 10 residues pruned to eliminate duplicates 929 residues left after pruning, divided into chains as follows: A: 8 B: 7 C: 12 D: 188 E: 11 F: 9 G: 19 H: 17 I: 8 J: 17 K: 182 L: 171 M: 17 N: 19 O: 8 P: 8 Q: 7 R: 84 S: 102 T: 35 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 33.77 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.393, Connect. = 0.717 for dens.mod. cycle 1 = 0.300, Contrast = 0.477, Connect. = 0.762 for dens.mod. cycle 2 = 0.300, Contrast = 0.539, Connect. = 0.780 for dens.mod. cycle 3 = 0.300, Contrast = 0.550, Connect. = 0.783 for dens.mod. cycle 4 = 0.300, Contrast = 0.560, Connect. = 0.786 for dens.mod. cycle 5 = 0.300, Contrast = 0.565, Connect. = 0.787 for dens.mod. cycle 6 = 0.300, Contrast = 0.569, Connect. = 0.788 for dens.mod. cycle 7 = 0.300, Contrast = 0.572, Connect. = 0.789 for dens.mod. cycle 8 = 0.300, Contrast = 0.575, Connect. = 0.790 for dens.mod. cycle 9 = 0.300, Contrast = 0.578, Connect. = 0.790 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 5646 peaks > 0.5 sigma used to seed fragment search Space for about 1111 unique residues taking solvent into account 1138 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 9 18.005 2.070 0.737 0.892 0.875 0.750 CB 1.454 B: 18 34.118 2.216 0.593 0.924 1.000 0.765 CB 1.647 C: 17 28.846 2.023 0.756 0.882 0.938 0.625 CB 1.567 D: 9 15.518 2.153 0.216 0.839 1.000 0.875 CB 1.565 8 residues pruned to eliminate duplicates E: 20 30.546 2.103 0.520 0.896 1.000 0.789 CA 1.570 18 residues pruned to eliminate duplicates F: 19 28.420 2.174 0.541 0.925 0.944 0.889 CB 1.486 19 residues pruned to eliminate duplicates G: 6 6.641 1.910 0.034 0.810 1.000 0.400 CA 1.148 H: 21 29.214 2.069 0.608 0.919 0.950 0.750 CB 1.457 20 residues pruned to eliminate duplicates I: 7 7.442 1.729 0.370 0.764 0.833 0.667 CA 1.218 J: 24 24.309 2.074 0.739 0.555 1.000 0.609 CB 1.332 K: 20 21.774 2.060 0.489 0.911 0.895 0.684 CB 1.291 L: 15 25.769 2.192 0.589 0.862 0.929 0.500 CA 1.563 M: 10 17.335 2.032 0.506 0.817 1.000 0.778 CA 1.434 N: 10 14.198 1.886 0.423 0.855 1.000 0.556 CB 1.302 10 residues pruned to eliminate duplicates O: 16 25.183 2.137 0.545 0.866 0.933 0.800 CA 1.544 15 residues pruned to eliminate duplicates P: 6 10.483 2.019 0.211 0.737 1.000 0.800 CA 1.550 Q: 37 35.863 2.128 0.713 0.672 0.917 0.694 CB 1.526 19 residues pruned to eliminate duplicates R: 9 12.087 2.036 0.180 0.821 1.000 0.625 CA 1.347 S: 9 25.637 2.168 0.928 0.871 1.000 0.875 CA 1.581 T: 9 18.898 2.099 0.531 0.872 1.000 0.875 CB 1.516 9 residues pruned to eliminate duplicates U: 11 12.398 1.930 0.139 0.798 0.900 0.700 CB 1.527 11 residues pruned to eliminate duplicates V: 20 24.279 2.125 0.366 0.898 0.895 0.789 CB 1.534 20 residues pruned to eliminate duplicates W: 19 32.213 2.164 0.803 0.923 0.889 0.722 CB 1.539 X: 20 21.595 2.058 0.315 0.863 0.947 0.684 CB 1.418 20 residues pruned to eliminate duplicates Y: 48 31.638 2.134 0.579 0.578 0.936 0.638 CB 1.357 17 residues pruned to eliminate duplicates Z: 23 21.627 2.058 0.618 0.548 1.000 0.727 CB 1.321 Z: 24 26.276 2.075 0.716 0.597 1.000 0.652 CB 1.402 23 residues pruned to eliminate duplicates Z: 10 17.095 2.237 0.581 0.906 1.000 0.889 CB 1.146 Z: 9 14.119 2.047 0.437 0.770 1.000 0.625 CA 1.336 Z: 120 52.845 2.121 0.631 0.557 0.950 0.588 CB 1.395 17 residues pruned to eliminate duplicates Z: 24 16.895 1.974 0.503 0.497 0.870 0.478 CA 1.369 Z: 21 24.919 2.022 0.466 0.901 1.000 0.800 CB 1.342 21 residues pruned to eliminate duplicates Z: 8 11.135 2.203 0.425 0.777 0.857 0.571 CB 1.225 8 residues pruned to eliminate duplicates Z: 23 24.394 2.078 0.821 0.587 0.909 0.727 CB 1.390 24 residues pruned to eliminate duplicates Z: 25 19.078 2.049 0.499 0.473 0.917 0.583 CB 1.421 25 residues pruned to eliminate duplicates Z: 10 18.725 2.025 0.590 0.887 1.000 0.778 CA 1.397 10 residues pruned to eliminate duplicates Z: 20 25.464 2.080 0.344 0.914 1.000 0.842 CB 1.478 20 residues pruned to eliminate duplicates Z: 7 8.777 1.783 0.344 0.763 1.000 0.833 CA 1.184 6 residues pruned to eliminate duplicates Z: 7 10.587 1.908 0.406 0.706 1.000 0.500 CA 1.336 7 residues pruned to eliminate duplicates Z: 9 15.492 2.049 0.360 0.854 0.875 0.750 CA 1.660 9 residues pruned to eliminate duplicates Z: 15 28.029 2.205 0.582 0.881 1.000 0.643 CA 1.555 15 residues pruned to eliminate duplicates Z: 21 30.374 2.024 0.716 0.916 1.000 0.850 CB 1.381 20 residues pruned to eliminate duplicates Z: 11 15.881 2.145 0.468 0.616 0.900 0.900 CB 1.587 Z: 21 29.047 2.053 0.569 0.912 0.950 0.700 CB 1.503 21 residues pruned to eliminate duplicates Z: 19 28.829 2.143 0.614 0.920 0.944 0.611 CB 1.465 20 residues pruned to eliminate duplicates Z: 9 14.929 2.103 0.604 0.859 0.875 0.500 CB 1.316 Z: 9 15.430 2.036 0.316 0.890 1.000 0.750 CB 1.465 18 residues pruned to eliminate duplicates Z: 19 17.475 2.117 0.389 0.659 0.944 0.556 CB 1.280 Z: 21 34.692 2.079 0.767 0.896 1.000 0.600 CB 1.513 20 residues pruned to eliminate duplicates Z: 91 51.152 2.179 0.567 0.588 0.967 0.567 CB 1.502 16 residues pruned to eliminate duplicates Z: 9 10.839 2.164 0.407 0.741 0.875 0.625 CB 1.159 8 residues pruned to eliminate duplicates Z: 19 36.627 2.215 0.824 0.927 0.944 0.722 CB 1.586 19 residues pruned to eliminate duplicates Z: 9 20.064 2.248 0.740 0.862 0.875 0.500 CA 1.522 9 residues pruned to eliminate duplicates Z: 9 15.841 1.931 0.360 0.884 1.000 0.750 CB 1.541 Z: 19 34.351 2.206 0.660 0.929 1.000 0.722 CB 1.548 20 residues pruned to eliminate duplicates Z: 7 14.412 2.308 0.252 0.902 1.000 0.833 CB 1.452 7 residues pruned to eliminate duplicates Z: 20 26.494 2.284 0.646 0.683 0.895 0.526 CB 1.527 20 residues pruned to eliminate duplicates Z: 21 27.974 2.028 0.623 0.941 0.950 0.700 CB 1.388 19 residues pruned to eliminate duplicates Z: 25 22.595 2.050 0.726 0.507 0.917 0.583 CB 1.413 25 residues pruned to eliminate duplicates Z: 9 19.361 1.964 0.860 0.787 1.000 0.625 CB 1.457 10 residues pruned to eliminate duplicates Z: 13 18.987 2.169 0.420 0.776 0.917 0.750 CB 1.521 13 residues pruned to eliminate duplicates Z: 10 17.659 1.948 0.727 0.826 0.889 0.889 CA 1.484 10 residues pruned to eliminate duplicates Z: 19 30.902 2.106 0.771 0.940 0.944 0.389 CB 1.435 19 residues pruned to eliminate duplicates Z: 9 13.723 2.077 0.215 0.884 1.000 0.750 CA 1.389 Z: 24 19.685 2.130 0.403 0.706 0.870 0.609 CB 1.310 Z: 19 30.984 2.192 0.439 0.929 1.000 0.944 CB 1.621 19 residues pruned to eliminate duplicates Z: 21 21.714 1.980 0.233 0.933 1.000 0.900 CB 1.388 21 residues pruned to eliminate duplicates Z: 17 24.954 2.087 0.610 0.871 1.000 0.750 CB 1.354 17 residues pruned to eliminate duplicates Z: 13 14.135 1.920 0.178 0.883 1.000 0.917 CB 1.305 Z: 10 18.816 2.010 0.762 0.849 0.778 0.667 N 1.687 10 residues pruned to eliminate duplicates Z: 16 19.368 2.120 0.367 0.920 0.933 0.733 CB 1.302 16 residues pruned to eliminate duplicates Z: 12 17.159 1.948 0.290 0.858 1.000 0.727 CB 1.515 Z: 9 18.148 2.103 0.393 0.901 1.000 1.000 CA 1.563 9 residues pruned to eliminate duplicates Z: 15 22.927 2.115 0.584 0.893 1.000 0.929 CA 1.312 Z: 9 13.681 2.101 0.112 0.890 1.000 1.000 CA 1.490 9 residues pruned to eliminate duplicates Z: 10 16.983 1.890 0.974 0.814 0.889 0.667 CA 1.299 Z: 122 60.321 2.186 0.637 0.573 0.967 0.669 CB 1.478 100 residues pruned to eliminate duplicates Z: 23 22.102 2.056 0.669 0.552 0.955 0.682 CB 1.367 23 residues pruned to eliminate duplicates Z: 9 11.447 2.118 0.220 0.779 0.875 0.750 CA 1.400 9 residues pruned to eliminate duplicates Z: 10 16.457 1.928 0.905 0.797 0.889 0.778 CA 1.296 10 residues pruned to eliminate duplicates Z: 25 20.217 1.988 0.571 0.572 0.958 0.542 CB 1.285 25 residues pruned to eliminate duplicates Z: 21 29.981 2.024 0.620 0.933 1.000 0.800 CB 1.427 20 residues pruned to eliminate duplicates Z: 10 17.415 2.196 0.596 0.856 0.889 0.667 CB 1.374 10 residues pruned to eliminate duplicates Z: 11 20.360 2.148 0.772 0.674 1.000 0.800 CB 1.441 11 residues pruned to eliminate duplicates Z: 15 22.048 2.152 0.420 0.870 1.000 0.714 CA 1.407 15 residues pruned to eliminate duplicates Z: 16 31.176 2.055 0.837 0.910 1.000 0.800 CB 1.513 16 residues pruned to eliminate duplicates Z: 19 19.699 1.827 0.640 0.909 1.000 0.889 CB 1.100 Z: 11 17.230 2.286 0.547 0.906 0.900 0.900 CB 1.217 11 residues pruned to eliminate duplicates Z: 8 16.010 2.165 0.492 0.837 1.000 0.714 CB 1.401 9 residues pruned to eliminate duplicates Z: 58 46.105 2.222 0.675 0.547 0.982 0.667 CA 1.595 58 residues pruned to eliminate duplicates Z: 11 14.896 1.931 0.283 0.841 1.000 0.600 CB 1.417 11 residues pruned to eliminate duplicates Z: 17 18.570 2.035 0.643 0.844 0.875 0.750 CB 1.180 17 residues pruned to eliminate duplicates Z: 21 29.390 2.045 0.643 0.899 1.000 0.550 CB 1.398 21 residues pruned to eliminate duplicates Z: 20 27.516 2.089 0.419 0.916 0.947 0.789 CA 1.588 20 residues pruned to eliminate duplicates Z: 20 23.908 2.017 0.411 0.937 1.000 0.895 CB 1.341 20 residues pruned to eliminate duplicates Z: 37 39.438 2.152 0.784 0.716 0.944 0.639 CB 1.491 37 residues pruned to eliminate duplicates Z: 25 20.943 1.969 0.687 0.538 0.875 0.583 CA 1.416 25 residues pruned to eliminate duplicates Z: 16 17.085 1.938 0.229 0.901 1.000 0.867 CB 1.322 13 residues pruned to eliminate duplicates Z: 21 36.238 2.093 0.871 0.929 1.000 0.800 CB 1.448 20 residues pruned to eliminate duplicates Z: 13 23.383 1.850 0.870 0.941 1.000 1.000 CB 1.354 Z: 9 16.349 2.117 0.487 0.844 1.000 1.000 CA 1.366 9 residues pruned to eliminate duplicates Z: 8 8.593 1.920 0.479 0.348 0.857 0.429 CB 1.573 Z: 11 18.729 2.045 0.730 0.845 0.900 0.600 CB 1.382 11 residues pruned to eliminate duplicates Z: 9 8.787 1.908 0.187 0.838 0.875 0.625 CB 1.172 9 residues pruned to eliminate duplicates Z: 14 13.202 1.746 0.815 0.638 0.923 0.538 CA 1.100 Z: 20 33.087 2.145 0.754 0.898 0.947 0.632 CB 1.524 20 residues pruned to eliminate duplicates Z: 25 13.418 1.797 0.372 0.548 0.917 0.625 CB 1.156 12 residues pruned to eliminate duplicates Z: 15 27.506 2.170 0.778 0.910 0.929 0.500 CA 1.455 15 residues pruned to eliminate duplicates Z: 24 21.874 2.008 0.706 0.532 0.913 0.652 CB 1.414 24 residues pruned to eliminate duplicates Z: 9 14.526 1.979 0.589 0.886 0.875 0.375 CB 1.346 9 residues pruned to eliminate duplicates Z: 22 28.362 1.964 0.758 0.912 0.952 0.667 CB 1.333 22 residues pruned to eliminate duplicates Z: 15 26.581 2.180 0.641 0.891 0.929 0.500 CA 1.537 15 residues pruned to eliminate duplicates Z: 10 17.812 2.229 0.559 0.915 1.000 0.889 CB 1.207 10 residues pruned to eliminate duplicates Z: 14 10.902 1.915 0.356 0.478 0.923 0.692 CB 1.290 14 residues pruned to eliminate duplicates Z: 20 30.474 2.129 0.697 0.926 0.895 0.632 CB 1.517 19 residues pruned to eliminate duplicates Z: 32 33.875 2.121 0.621 0.716 0.903 0.581 CB 1.611 24 residues pruned to eliminate duplicates Z: 108 49.589 2.184 0.520 0.540 0.935 0.645 CB 1.486 108 residues pruned to eliminate duplicates Z: 18 19.919 2.015 0.380 0.881 1.000 0.765 CB 1.258 18 residues pruned to eliminate duplicates Z: 11 21.936 2.003 0.989 0.888 0.900 0.500 CB 1.394 11 residues pruned to eliminate duplicates Z: 7 7.999 2.168 0.092 0.847 1.000 0.833 CB 1.024 7 residues pruned to eliminate duplicates Z: 15 20.374 2.206 0.264 0.913 1.000 0.786 CB 1.382 15 residues pruned to eliminate duplicates Z: 17 17.136 1.783 0.357 0.907 1.000 0.812 CB 1.258 16 residues pruned to eliminate duplicates Z: 17 17.868 1.866 0.395 0.900 0.938 0.812 CB 1.308 12 residues pruned to eliminate duplicates Z: 32 22.605 2.082 0.437 0.588 0.903 0.742 CB 1.380 11 residues pruned to eliminate duplicates Z: 15 6.515 1.870 0.038 0.701 0.857 0.714 CB 0.871 15 residues pruned to eliminate duplicates Z: 108 54.961 2.171 0.656 0.585 0.953 0.645 CB 1.430 98 residues pruned to eliminate duplicates Z: 19 18.703 1.825 0.598 0.930 1.000 0.889 CB 1.058 19 residues pruned to eliminate duplicates Z: 11 12.472 2.253 0.077 0.869 1.000 0.700 CB 1.187 11 residues pruned to eliminate duplicates Z: 9 11.130 2.102 0.243 0.788 0.875 0.750 CB 1.336 9 residues pruned to eliminate duplicates Z: 15 12.220 2.089 0.206 0.699 0.929 0.786 CB 1.164 15 residues pruned to eliminate duplicates Z: 21 29.812 2.018 0.669 0.923 1.000 0.800 CB 1.391 21 residues pruned to eliminate duplicates Z: 10 20.377 1.933 1.191 0.834 1.000 0.667 CB 1.203 10 residues pruned to eliminate duplicates Z: 9 19.731 2.059 0.842 0.916 0.875 0.625 CB 1.485 9 residues pruned to eliminate duplicates Z: 10 16.172 2.189 0.460 0.849 0.778 0.667 CA 1.607 10 residues pruned to eliminate duplicates Z: 16 19.114 2.114 0.574 0.885 0.867 0.800 CB 1.236 16 residues pruned to eliminate duplicates Z: 13 19.149 1.834 0.635 0.922 1.000 0.917 CB 1.297 13 residues pruned to eliminate duplicates Z: 27 35.174 2.064 0.709 0.750 0.962 0.731 CB 1.628 23 residues pruned to eliminate duplicates Z: 8 18.461 2.144 1.145 0.724 0.857 0.857 CA 1.447 Z: 10 17.503 1.912 0.811 0.802 1.000 0.667 CB 1.294 9 residues pruned to eliminate duplicates Z: 19 19.017 1.836 0.605 0.914 1.000 0.833 CB 1.076 19 residues pruned to eliminate duplicates Z: 21 34.322 2.089 0.938 0.909 0.950 0.550 CB 1.416 21 residues pruned to eliminate duplicates Z: 52 36.180 2.115 0.722 0.552 0.980 0.549 CB 1.349 30 residues pruned to eliminate duplicates Z: 11 14.434 2.247 0.347 0.877 0.900 0.700 CB 1.217 11 residues pruned to eliminate duplicates Z: 8 13.215 2.016 1.010 0.692 0.857 0.714 CA 1.206 Z: 8 12.434 2.136 0.741 0.758 0.857 0.571 CB 1.172 8 residues pruned to eliminate duplicates Z: 23 21.321 2.080 0.583 0.555 0.909 0.545 CB 1.440 23 residues pruned to eliminate duplicates Z: 19 36.585 2.156 0.830 0.939 0.944 0.389 CB 1.608 19 residues pruned to eliminate duplicates Z: 26 36.601 2.070 0.779 0.776 0.960 0.640 CA 1.623 26 residues pruned to eliminate duplicates Z: 9 11.525 2.114 0.607 0.584 0.750 0.500 CB 1.476 9 residues pruned to eliminate duplicates Z: 8 13.662 2.140 0.436 0.819 1.000 0.857 CB 1.274 Z: 8 14.026 2.150 0.214 0.896 1.000 1.000 CB 1.455 8 residues pruned to eliminate duplicates Z: 12 16.462 1.989 0.567 0.644 1.000 0.727 CB 1.392 Z: 7 8.945 1.603 0.422 0.812 1.000 0.833 CA 1.221 Z: 9 6.550 1.844 0.317 0.722 0.625 0.500 CA 1.249 9 residues pruned to eliminate duplicates Z: 11 15.443 2.095 0.360 0.632 1.000 0.900 CB 1.515 11 residues pruned to eliminate duplicates Z: 19 30.770 2.134 0.614 0.913 1.000 0.833 CB 1.491 19 residues pruned to eliminate duplicates Z: 16 22.195 2.075 0.552 0.863 0.933 0.667 CB 1.399 16 residues pruned to eliminate duplicates Z: 88 39.596 2.067 0.643 0.501 0.931 0.598 CB 1.341 87 residues pruned to eliminate duplicates Z: 16 23.338 2.132 0.598 0.860 0.867 0.400 CA 1.500 16 residues pruned to eliminate duplicates Z: 8 12.985 1.971 0.831 0.664 0.857 0.714 CA 1.363 8 residues pruned to eliminate duplicates Z: 9 11.001 1.980 0.532 0.805 1.000 0.625 CB 0.982 9 residues pruned to eliminate duplicates Z: 25 20.103 2.035 0.676 0.472 0.875 0.458 CB 1.414 25 residues pruned to eliminate duplicates Z: 24 19.545 2.056 0.477 0.513 1.000 0.565 CB 1.325 24 residues pruned to eliminate duplicates Z: 12 21.716 1.883 0.851 0.927 1.000 0.818 CB 1.316 12 residues pruned to eliminate duplicates Z: 23 17.696 2.069 0.529 0.494 0.864 0.682 CB 1.390 23 residues pruned to eliminate duplicates Z: 12 12.619 2.000 0.540 0.549 0.818 0.545 CB 1.439 12 residues pruned to eliminate duplicates Z: 78 38.854 2.103 0.575 0.579 0.909 0.610 CB 1.363 73 residues pruned to eliminate duplicates Z: 6 4.745 1.651 0.337 0.691 0.800 0.400 CA 1.009 6 residues pruned to eliminate duplicates Z: 15 29.998 2.205 0.657 0.909 1.000 0.714 CA 1.557 15 residues pruned to eliminate duplicates Z: 21 31.393 2.025 0.760 0.899 0.950 0.550 CB 1.481 21 residues pruned to eliminate duplicates Z: 16 25.462 2.118 0.583 0.879 1.000 0.867 CA 1.422 16 residues pruned to eliminate duplicates Z: 48 31.806 2.158 0.565 0.496 0.915 0.596 CA 1.508 48 residues pruned to eliminate duplicates Z: 91 55.054 2.212 0.633 0.571 0.967 0.511 CB 1.552 97 residues pruned to eliminate duplicates Z: 21 37.193 2.084 0.819 0.887 1.000 0.400 CB 1.582 21 residues pruned to eliminate duplicates Z: 12 12.815 2.036 0.535 0.558 0.909 0.818 CB 1.285 12 residues pruned to eliminate duplicates Z: 12 11.790 2.123 0.805 0.619 0.818 0.545 CB 1.013 Z: 15 10.590 1.895 0.392 0.730 0.929 0.571 CB 0.939 15 residues pruned to eliminate duplicates Z: 15 13.831 1.854 0.375 0.728 1.000 0.571 CB 1.181 15 residues pruned to eliminate duplicates Z: 64 35.296 2.100 0.545 0.506 0.984 0.540 CB 1.386 64 residues pruned to eliminate duplicates Z: 17 19.200 2.034 0.286 0.883 0.938 0.812 CA 1.416 17 residues pruned to eliminate duplicates Z: 15 15.351 2.091 0.260 0.791 0.857 0.643 CB 1.407 18 residues pruned to eliminate duplicates Z: 9 7.930 2.025 0.403 0.803 1.000 0.625 CB 0.757 2 residues pruned to eliminate duplicates Z: 13 13.170 2.020 0.253 0.719 1.000 0.417 CB 1.232 13 residues pruned to eliminate duplicates Z: 11 17.551 2.284 0.515 0.849 1.000 0.300 CB 1.189 11 residues pruned to eliminate duplicates Z: 15 10.766 1.809 0.295 0.679 0.857 0.357 CB 1.216 15 residues pruned to eliminate duplicates Z: 28 37.744 2.161 0.999 0.798 0.926 0.556 CB 1.399 20 residues pruned to eliminate duplicates Z: 21 20.907 1.973 0.237 0.933 1.000 0.900 CB 1.336 20 residues pruned to eliminate duplicates Z: 18 14.659 1.947 0.307 0.845 0.882 0.706 CB 1.177 18 residues pruned to eliminate duplicates Z: 80 42.062 2.115 0.608 0.597 0.911 0.582 CB 1.391 57 residues pruned to eliminate duplicates Z: 15 26.088 1.944 0.835 0.891 1.000 0.500 CB 1.405 15 residues pruned to eliminate duplicates Z: 23 13.538 2.003 0.273 0.506 0.864 0.727 CB 1.302 23 residues pruned to eliminate duplicates Z: 9 16.620 2.002 0.722 0.779 1.000 0.625 CB 1.333 9 residues pruned to eliminate duplicates Z: 16 16.525 2.066 0.171 0.799 1.000 0.467 CB 1.357 16 residues pruned to eliminate duplicates Z: 20 25.732 2.050 0.427 0.925 1.000 0.842 CB 1.417 20 residues pruned to eliminate duplicates Z: 20 25.998 2.072 0.766 0.843 0.842 0.316 CB 1.441 20 residues pruned to eliminate duplicates Z: 20 26.726 2.042 0.686 0.920 0.947 0.579 CB 1.324 20 residues pruned to eliminate duplicates Z: 9 13.722 2.071 0.388 0.871 0.875 0.750 CA 1.406 9 residues pruned to eliminate duplicates Z: 27 15.280 1.938 0.493 0.403 0.846 0.538 CB 1.355 27 residues pruned to eliminate duplicates Z: 28 31.422 2.133 0.875 0.571 0.963 0.593 CA 1.466 28 residues pruned to eliminate duplicates Z: 16 16.299 2.034 0.310 0.775 0.933 0.533 CB 1.328 16 residues pruned to eliminate duplicates Z: 17 21.447 2.062 0.542 0.884 0.938 0.812 CB 1.300 17 residues pruned to eliminate duplicates Z: 20 33.049 2.106 0.757 0.911 0.947 0.474 CB 1.532 20 residues pruned to eliminate duplicates Z: 16 20.868 2.055 0.553 0.832 0.933 0.600 CA 1.358 16 residues pruned to eliminate duplicates Z: 131 61.161 2.161 0.719 0.602 0.931 0.615 CB 1.408 130 residues pruned to eliminate duplicates Z: 10 16.522 2.025 0.596 0.847 0.889 0.778 CB 1.423 10 residues pruned to eliminate duplicates Z: 22 16.265 2.036 0.379 0.635 0.857 0.476 CB 1.299 22 residues pruned to eliminate duplicates Z: 22 27.387 1.984 0.738 0.895 0.905 0.476 CB 1.373 22 residues pruned to eliminate duplicates Z: 92 49.366 2.181 0.643 0.579 0.912 0.582 CB 1.467 92 residues pruned to eliminate duplicates Z: 8 12.716 2.063 0.659 0.909 1.000 0.857 CB 0.997 8 residues pruned to eliminate duplicates Z: 6 7.896 1.989 -0.036 0.813 1.000 0.400 CA 1.402 6 residues pruned to eliminate duplicates Z: 20 38.484 2.133 0.926 0.922 0.947 0.737 CB 1.596 20 residues pruned to eliminate duplicates Z: 13 9.850 1.676 0.449 0.591 1.000 0.667 CA 1.073 Z: 48 34.432 2.204 0.531 0.548 0.936 0.489 CA 1.517 48 residues pruned to eliminate duplicates Z: 16 14.018 2.093 0.113 0.821 0.933 0.733 CA 1.259 16 residues pruned to eliminate duplicates Z: 16 21.120 2.124 0.319 0.852 1.000 0.667 CB 1.440 16 residues pruned to eliminate duplicates Z: 79 45.495 2.160 0.579 0.586 0.962 0.667 CB 1.446 79 residues pruned to eliminate duplicates Z: 9 9.790 1.947 0.421 0.750 0.875 0.750 CA 1.144 Z: 20 32.753 2.128 0.536 0.933 1.000 0.947 CA 1.605 20 residues pruned to eliminate duplicates Z: 61 39.087 2.150 0.529 0.594 0.983 0.717 CB 1.427 61 residues pruned to eliminate duplicates Z: 29 18.818 1.919 0.646 0.450 0.893 0.464 CB 1.328 29 residues pruned to eliminate duplicates Z: 8 3.134 1.607 0.247 0.214 0.857 0.429 CB 0.966 8 residues pruned to eliminate duplicates Z: 13 8.861 1.806 0.308 0.508 0.750 0.583 CB 1.432 13 residues pruned to eliminate duplicates Z: 24 22.034 2.062 0.546 0.577 0.957 0.652 CB 1.398 24 residues pruned to eliminate duplicates Z: 10 18.374 2.223 0.774 0.583 1.000 0.778 CB 1.434 10 residues pruned to eliminate duplicates Z: 34 28.090 2.143 0.641 0.608 0.939 0.697 CB 1.336 34 residues pruned to eliminate duplicates Z: 8 16.415 2.182 0.431 0.901 0.857 0.857 CA 1.655 8 residues pruned to eliminate duplicates Z: 47 36.762 2.189 0.611 0.534 0.978 0.522 CA 1.520 47 residues pruned to eliminate duplicates Z: 33 35.121 2.148 0.741 0.688 0.906 0.531 CB 1.542 31 residues pruned to eliminate duplicates Z: 7 7.960 1.681 0.871 0.777 0.833 0.500 CB 0.971 7 residues pruned to eliminate duplicates Z: 29 34.189 2.054 0.956 0.750 0.929 0.500 CB 1.385 29 residues pruned to eliminate duplicates Z: 78 40.289 2.108 0.609 0.598 0.948 0.584 CB 1.300 78 residues pruned to eliminate duplicates Z: 16 16.857 2.100 0.405 0.877 0.867 0.733 CB 1.236 16 residues pruned to eliminate duplicates Z: 23 21.949 2.086 0.539 0.526 1.000 0.545 CB 1.421 23 residues pruned to eliminate duplicates Z: 62 41.053 2.153 0.660 0.495 0.951 0.656 CA 1.554 62 residues pruned to eliminate duplicates Z: 33 24.444 2.079 0.533 0.581 0.875 0.531 CB 1.433 33 residues pruned to eliminate duplicates Z: 9 20.265 2.107 0.633 0.914 1.000 0.750 CA 1.474 11 residues pruned to eliminate duplicates Z: 11 10.201 1.913 0.451 0.762 0.800 0.600 CA 1.150 11 residues pruned to eliminate duplicates Z: 63 42.663 2.162 0.603 0.596 0.984 0.661 CB 1.450 63 residues pruned to eliminate duplicates Z: 16 20.008 1.933 0.380 0.890 1.000 0.733 CB 1.393 17 residues pruned to eliminate duplicates Z: 11 14.044 1.962 0.255 0.841 0.900 0.400 CB 1.495 11 residues pruned to eliminate duplicates Z: 13 18.531 1.905 0.414 0.909 1.000 0.833 CB 1.410 13 residues pruned to eliminate duplicates Z: 8 7.526 1.800 0.227 0.834 0.857 0.571 CB 1.126 8 residues pruned to eliminate duplicates Z: 45 35.126 2.180 0.709 0.529 0.909 0.568 CA 1.519 45 residues pruned to eliminate duplicates Z: 11 13.139 2.102 0.331 0.826 1.000 0.600 CB 1.120 11 residues pruned to eliminate duplicates Z: 19 35.996 2.178 0.753 0.940 1.000 0.722 CB 1.543 19 residues pruned to eliminate duplicates Z: 28 13.544 1.872 0.402 0.520 0.852 0.519 CB 1.143 28 residues pruned to eliminate duplicates Z: 9 21.469 2.095 0.723 0.883 1.000 1.000 CA 1.520 9 residues pruned to eliminate duplicates Z: 29 16.123 1.787 0.529 0.530 0.893 0.464 CB 1.213 27 residues pruned to eliminate duplicates Z: 19 14.916 1.800 0.352 0.890 1.000 0.722 CB 1.040 19 residues pruned to eliminate duplicates Z: 20 38.457 2.095 0.947 0.943 1.000 0.579 CB 1.499 20 residues pruned to eliminate duplicates Z: 121 56.589 2.179 0.630 0.536 0.958 0.625 CB 1.465 121 residues pruned to eliminate duplicates Z: 6 6.030 1.575 0.419 0.839 0.800 0.600 CB 1.125 6 residues pruned to eliminate duplicates Z: 10 19.333 1.926 0.793 0.871 1.000 0.778 CB 1.361 10 residues pruned to eliminate duplicates Z: 11 14.374 2.060 0.407 0.652 0.900 0.700 CB 1.513 11 residues pruned to eliminate duplicates Z: 102 50.729 2.160 0.614 0.581 0.970 0.564 CB 1.380 102 residues pruned to eliminate duplicates Z: 10 17.463 2.171 0.429 0.817 0.889 0.556 CA 1.602 10 residues pruned to eliminate duplicates Z: 10 14.403 2.010 0.317 0.861 1.000 0.889 CA 1.333 10 residues pruned to eliminate duplicates Z: 12 13.570 1.987 0.349 0.641 1.000 0.727 CB 1.339 12 residues pruned to eliminate duplicates Z: 9 13.121 1.938 0.790 0.901 1.000 0.750 CB 0.954 9 residues pruned to eliminate duplicates Z: 9 21.313 2.006 0.723 0.881 1.000 0.750 CB 1.578 9 residues pruned to eliminate duplicates Z: 7 9.717 2.024 0.465 0.834 0.833 0.500 CB 1.204 7 residues pruned to eliminate duplicates Z: 7 8.175 1.965 0.342 0.859 0.833 0.667 CB 1.118 7 residues pruned to eliminate duplicates Z: 16 14.881 2.052 0.104 0.916 1.000 1.000 CB 1.198 16 residues pruned to eliminate duplicates Z: 8 10.873 1.926 0.432 0.782 0.857 0.571 CA 1.357 8 residues pruned to eliminate duplicates Z: 10 6.852 2.108 -0.085 0.838 0.889 0.556 CB 0.996 10 residues pruned to eliminate duplicates Z: 116 53.999 2.172 0.645 0.573 0.939 0.600 CB 1.398 116 residues pruned to eliminate duplicates Z: 9 19.829 2.205 0.786 0.867 1.000 0.625 CA 1.303 9 residues pruned to eliminate duplicates Z: 16 18.735 1.887 0.297 0.913 1.000 0.800 CB 1.399 16 residues pruned to eliminate duplicates Z: 8 7.012 1.535 0.514 0.673 0.857 0.286 CB 1.134 8 residues pruned to eliminate duplicates Z: 18 13.212 1.974 0.171 0.844 0.941 0.706 CB 1.096 18 residues pruned to eliminate duplicates Z: 9 10.022 1.923 0.337 0.842 0.875 0.750 CB 1.173 9 residues pruned to eliminate duplicates Z: 49 28.789 2.018 0.700 0.610 0.833 0.583 CB 1.310 49 residues pruned to eliminate duplicates Z: 123 56.496 2.151 0.650 0.556 0.951 0.672 CB 1.435 123 residues pruned to eliminate duplicates Z: 11 11.310 1.930 0.387 0.615 0.900 0.500 CB 1.331 11 residues pruned to eliminate duplicates Z: 15 11.061 1.878 0.277 0.656 0.929 0.286 CB 1.148 15 residues pruned to eliminate duplicates Z: 19 33.532 2.140 0.913 0.916 0.944 0.556 CB 1.444 19 residues pruned to eliminate duplicates Z: 13 20.867 1.841 0.832 0.933 1.000 0.833 CB 1.247 13 residues pruned to eliminate duplicates Z: 9 17.306 2.089 0.417 0.898 1.000 1.000 CA 1.479 9 residues pruned to eliminate duplicates Z: 58 36.873 2.140 0.600 0.579 0.965 0.667 CB 1.371 58 residues pruned to eliminate duplicates Z: 15 13.547 2.057 0.142 0.878 0.929 0.857 CB 1.205 15 residues pruned to eliminate duplicates Z: 25 25.425 2.186 0.616 0.627 0.958 0.625 CB 1.360 25 residues pruned to eliminate duplicates Z: 23 24.463 1.929 0.620 0.903 0.909 0.727 CB 1.309 23 residues pruned to eliminate duplicates Z: 19 16.123 2.124 0.342 0.591 0.889 0.556 CB 1.375 19 residues pruned to eliminate duplicates Z: 8 17.570 2.046 0.601 0.854 1.000 0.429 CB 1.497 8 residues pruned to eliminate duplicates Z: 16 16.181 2.099 0.226 0.926 0.933 0.867 CB 1.219 16 residues pruned to eliminate duplicates Z: 13 10.460 1.790 0.415 0.480 0.917 0.500 CA 1.327 13 residues pruned to eliminate duplicates Z: 20 30.102 2.105 0.561 0.927 1.000 0.842 CB 1.473 20 residues pruned to eliminate duplicates Z: 11 13.436 1.894 0.342 0.827 0.900 0.700 CB 1.400 11 residues pruned to eliminate duplicates Z: 8 14.882 2.248 0.556 0.828 0.857 0.571 CB 1.414 8 residues pruned to eliminate duplicates Z: 29 33.541 2.244 0.644 0.640 1.000 0.750 CA 1.508 29 residues pruned to eliminate duplicates Z: 17 20.456 1.869 0.526 0.869 0.938 0.750 CB 1.397 16 residues pruned to eliminate duplicates Z: 15 23.301 2.205 0.384 0.878 1.000 0.857 CA 1.481 15 residues pruned to eliminate duplicates Z: 17 18.913 1.849 0.550 0.850 0.875 0.312 CB 1.397 17 residues pruned to eliminate duplicates Z: 20 23.382 2.055 0.229 0.903 1.000 0.842 CB 1.513 20 residues pruned to eliminate duplicates Z: 8 8.846 2.046 0.215 0.643 0.857 0.857 CA 1.373 8 residues pruned to eliminate duplicates Z: 9 12.617 2.117 0.464 0.714 0.875 0.250 CB 1.355 9 residues pruned to eliminate duplicates Z: 12 15.206 1.978 0.293 0.896 0.909 0.545 CB 1.413 12 residues pruned to eliminate duplicates Z: 34 13.258 1.862 0.326 0.523 0.879 0.515 CB 1.040 34 residues pruned to eliminate duplicates Z: 9 24.175 2.124 0.746 0.907 1.000 0.875 CA 1.639 9 residues pruned to eliminate duplicates Z: 19 21.635 2.078 0.136 0.930 1.000 0.778 CB 1.511 19 residues pruned to eliminate duplicates Z: 79 44.564 2.150 0.552 0.606 0.974 0.705 CB 1.403 79 residues pruned to eliminate duplicates Z: 19 31.224 2.167 0.444 0.927 1.000 0.944 CA 1.648 19 residues pruned to eliminate duplicates Z: 20 37.289 2.099 0.898 0.897 1.000 0.368 CB 1.537 20 residues pruned to eliminate duplicates Z: 15 26.444 2.191 0.545 0.891 1.000 0.786 CA 1.501 15 residues pruned to eliminate duplicates Z: 8 9.604 1.530 0.959 0.864 0.857 0.429 CB 1.036 8 residues pruned to eliminate duplicates Z: 9 12.837 2.063 0.404 0.752 0.875 0.625 CA 1.430 9 residues pruned to eliminate duplicates Z: 21 28.578 2.016 0.870 0.869 0.900 0.500 CB 1.375 21 residues pruned to eliminate duplicates Z: 9 18.974 2.002 0.623 0.902 1.000 0.750 CA 1.473 9 residues pruned to eliminate duplicates Z: 18 18.082 2.080 0.572 0.556 0.882 0.588 CB 1.438 18 residues pruned to eliminate duplicates Z: 21 26.838 1.985 0.721 0.903 0.900 0.450 CB 1.391 21 residues pruned to eliminate duplicates Z: 15 24.930 2.191 0.481 0.869 1.000 0.571 CA 1.500 15 residues pruned to eliminate duplicates Z: 7 11.972 2.202 0.026 0.842 1.000 0.833 CA 1.612 7 residues pruned to eliminate duplicates Z: 19 19.030 1.842 0.625 0.925 1.000 0.833 CB 1.051 19 residues pruned to eliminate duplicates Z: 8 13.043 2.221 0.323 0.839 1.000 0.571 CA 1.253 8 residues pruned to eliminate duplicates Z: 93 52.247 2.175 0.583 0.587 0.967 0.663 CB 1.505 93 residues pruned to eliminate duplicates Z: 107 52.385 2.172 0.597 0.557 0.962 0.651 CB 1.442 107 residues pruned to eliminate duplicates Z: 13 8.972 1.843 0.098 0.875 0.917 0.750 CB 1.015 13 residues pruned to eliminate duplicates Z: 8 14.011 2.130 0.521 0.809 1.000 0.714 CB 1.248 8 residues pruned to eliminate duplicates Z: 8 11.488 2.089 0.448 0.755 0.857 0.857 CA 1.334 8 residues pruned to eliminate duplicates Z: 8 12.782 2.197 0.188 0.835 1.000 1.000 CB 1.386 8 residues pruned to eliminate duplicates Z: 20 27.483 2.291 0.869 0.601 0.947 0.526 CA 1.412 20 residues pruned to eliminate duplicates Z: 13 9.992 1.960 0.676 0.709 0.750 0.333 CB 0.969 13 residues pruned to eliminate duplicates Z: 11 8.195 1.917 0.077 0.813 0.900 0.600 CB 1.062 11 residues pruned to eliminate duplicates Z: 12 16.487 1.975 0.759 0.524 1.000 0.636 CA 1.398 13 residues pruned to eliminate duplicates Z: 6 8.652 1.964 1.197 0.576 0.600 0.600 CB 1.389 6 residues pruned to eliminate duplicates Z: 9 9.773 1.787 0.113 0.839 1.000 0.500 CB 1.297 9 residues pruned to eliminate duplicates Z: 8 11.801 1.616 0.733 0.862 1.000 0.571 CB 1.169 8 residues pruned to eliminate duplicates Z: 15 22.507 2.150 0.358 0.875 1.000 0.786 CA 1.498 15 residues pruned to eliminate duplicates Z: 22 19.803 2.109 0.552 0.492 0.952 0.429 CB 1.398 22 residues pruned to eliminate duplicates Z: 27 27.184 2.221 0.579 0.521 0.923 0.577 CA 1.614 27 residues pruned to eliminate duplicates Z: 20 24.791 2.069 0.304 0.947 1.000 1.000 CB 1.456 20 residues pruned to eliminate duplicates Z: 9 19.087 2.057 0.736 0.862 1.000 0.625 CB 1.387 9 residues pruned to eliminate duplicates Z: 9 15.123 2.023 0.271 0.913 1.000 0.500 CB 1.472 9 residues pruned to eliminate duplicates Z: 63 37.607 2.105 0.675 0.603 0.952 0.548 CB 1.291 63 residues pruned to eliminate duplicates Z: 21 34.056 2.055 0.898 0.904 0.950 0.550 CB 1.464 23 residues pruned to eliminate duplicates Z: 26 25.497 2.136 0.726 0.575 0.920 0.720 CB 1.399 26 residues pruned to eliminate duplicates Z: 19 38.541 2.159 0.827 0.903 1.000 0.444 CB 1.641 19 residues pruned to eliminate duplicates Z: 12 11.006 1.811 0.359 0.609 0.909 0.727 CB 1.338 12 residues pruned to eliminate duplicates Z: 18 20.431 2.115 0.443 0.575 1.000 0.588 CB 1.510 18 residues pruned to eliminate duplicates Z: 80 42.150 2.132 0.523 0.565 0.937 0.646 CB 1.464 80 residues pruned to eliminate duplicates Z: 17 32.197 2.175 0.772 0.941 1.000 0.688 CB 1.449 17 residues pruned to eliminate duplicates Z: 12 12.323 1.972 0.625 0.628 0.818 0.727 CB 1.256 12 residues pruned to eliminate duplicates Z: 9 12.804 2.029 0.130 0.892 1.000 0.875 CA 1.418 9 residues pruned to eliminate duplicates Z: 12 15.880 1.997 0.540 0.897 1.000 0.909 CB 1.114 12 residues pruned to eliminate duplicates Z: 10 18.988 1.973 1.060 0.744 1.000 0.556 CA 1.252 10 residues pruned to eliminate duplicates Z: 6 4.127 1.751 0.137 0.548 1.000 0.600 CB 0.884 6 residues pruned to eliminate duplicates Z: 40 39.759 2.242 0.762 0.551 1.000 0.615 CA 1.533 40 residues pruned to eliminate duplicates Z: 11 7.888 1.684 0.388 0.750 0.800 0.500 CB 1.067 11 residues pruned to eliminate duplicates Z: 14 19.410 2.123 0.483 0.913 1.000 0.385 CB 1.210 14 residues pruned to eliminate duplicates Z: 12 16.486 2.003 0.829 0.905 1.000 0.727 CB 0.965 12 residues pruned to eliminate duplicates Z: 16 20.241 1.929 0.469 0.891 0.933 0.667 CB 1.421 16 residues pruned to eliminate duplicates Z: 18 24.481 1.979 0.865 0.871 1.000 0.706 CB 1.173 18 residues pruned to eliminate duplicates Z: 9 6.982 1.930 0.432 0.773 0.625 0.625 CA 1.123 9 residues pruned to eliminate duplicates Z: 19 17.810 2.074 0.575 0.586 0.833 0.611 CB 1.421 19 residues pruned to eliminate duplicates Z: 95 42.707 2.089 0.571 0.569 0.915 0.638 CB 1.373 95 residues pruned to eliminate duplicates Z: 9 11.047 1.844 0.574 0.727 0.875 0.375 CA 1.253 8 residues pruned to eliminate duplicates Z: 12 15.728 1.830 0.928 0.633 0.909 0.727 CA 1.305 8 residues pruned to eliminate duplicates Z: 15 23.268 2.177 0.567 0.873 1.000 0.786 CB 1.327 15 residues pruned to eliminate duplicates Z: 17 15.925 1.871 0.377 0.867 0.875 0.688 CB 1.291 17 residues pruned to eliminate duplicates Z: 32 30.858 2.186 0.802 0.552 0.871 0.452 CB 1.535 32 residues pruned to eliminate duplicates Z: 10 14.506 1.991 0.632 0.833 0.778 0.444 CB 1.435 10 residues pruned to eliminate duplicates Z: 78 40.854 2.126 0.588 0.607 0.922 0.584 CB 1.351 77 residues pruned to eliminate duplicates Z: 16 15.620 1.650 0.827 0.630 0.933 0.533 CA 1.268 12 residues pruned to eliminate duplicates Z: 10 7.934 1.540 0.431 0.744 1.000 0.889 CB 0.965 Z: 16 12.279 1.995 0.462 0.720 0.733 0.467 CB 1.215 16 residues pruned to eliminate duplicates Z: 42 32.533 2.128 0.579 0.636 0.927 0.659 CB 1.436 42 residues pruned to eliminate duplicates Z: 6 7.396 1.856 0.229 0.800 1.000 1.000 CA 1.116 6 residues pruned to eliminate duplicates Z: 16 17.787 1.834 0.367 0.883 1.000 0.667 CB 1.324 16 residues pruned to eliminate duplicates Z: 16 18.254 2.071 0.316 0.891 1.000 0.933 CB 1.243 16 residues pruned to eliminate duplicates Z: 19 32.760 2.119 0.904 0.949 0.944 0.611 CB 1.399 19 residues pruned to eliminate duplicates Z: 32 41.216 2.177 0.789 0.736 0.935 0.581 CB 1.643 32 residues pruned to eliminate duplicates Z: 15 17.547 1.951 0.602 0.601 0.929 0.500 CB 1.468 11 residues pruned to eliminate duplicates Z: 23 12.044 1.740 0.323 0.628 0.909 0.409 CB 1.088 12 residues pruned to eliminate duplicates Z: 33 35.136 2.201 0.634 0.698 0.938 0.562 CB 1.538 35 residues pruned to eliminate duplicates Z: 10 9.138 1.900 0.253 0.824 1.000 0.667 CB 0.966 10 residues pruned to eliminate duplicates Z: 43 30.358 2.204 0.599 0.492 0.881 0.405 CA 1.521 43 residues pruned to eliminate duplicates Z: 64 36.673 2.120 0.565 0.621 0.968 0.683 CB 1.283 64 residues pruned to eliminate duplicates Z: 19 31.650 2.196 0.541 0.919 1.000 0.889 CB 1.553 19 residues pruned to eliminate duplicates Z: 108 51.245 2.171 0.590 0.563 0.963 0.654 CB 1.403 108 residues pruned to eliminate duplicates Z: 22 20.502 1.959 0.343 0.857 0.905 0.762 CA 1.386 22 residues pruned to eliminate duplicates Z: 27 17.499 1.966 0.403 0.513 0.962 0.577 CB 1.277 27 residues pruned to eliminate duplicates Z: 55 36.022 2.163 0.573 0.599 0.963 0.667 CB 1.362 55 residues pruned to eliminate duplicates Z: 28 30.121 2.205 0.716 0.543 0.926 0.741 CB 1.586 28 residues pruned to eliminate duplicates Z: 19 34.082 2.167 0.896 0.939 0.944 0.611 CB 1.439 19 residues pruned to eliminate duplicates Z: 18 9.772 1.762 0.622 0.491 0.824 0.588 CA 1.016 18 residues pruned to eliminate duplicates Z: 103 40.926 2.087 0.541 0.570 0.902 0.598 CB 1.306 103 residues pruned to eliminate duplicates Z: 48 34.832 2.134 0.654 0.614 0.936 0.638 CB 1.380 48 residues pruned to eliminate duplicates Z: 21 15.077 1.995 0.528 0.564 0.900 0.700 CB 1.155 21 residues pruned to eliminate duplicates Z: 13 3.860 1.644 0.277 0.273 0.750 0.333 CB 0.915 13 residues pruned to eliminate duplicates Z: 9 17.563 2.030 0.586 0.852 1.000 0.875 CA 1.426 9 residues pruned to eliminate duplicates Z: 8 9.208 1.979 0.157 0.802 1.000 0.571 CA 1.167 8 residues pruned to eliminate duplicates Z: 17 12.576 1.825 0.027 0.874 0.938 0.812 CB 1.303 17 residues pruned to eliminate duplicates Z: 21 31.891 2.036 0.782 0.938 1.000 0.750 CB 1.367 21 residues pruned to eliminate duplicates Z: 8 11.197 2.084 0.434 0.886 1.000 0.857 CB 1.021 8 residues pruned to eliminate duplicates Z: 7 8.876 1.726 0.449 0.808 1.000 0.667 N 1.107 7 residues pruned to eliminate duplicates Z: 21 32.925 2.031 0.835 0.945 1.000 0.600 CB 1.367 22 residues pruned to eliminate duplicates Z: 12 16.775 2.133 0.406 0.869 1.000 0.545 CB 1.232 12 residues pruned to eliminate duplicates Z: 7 11.754 2.073 0.349 0.839 0.833 0.500 CB 1.538 7 residues pruned to eliminate duplicates Z: 8 11.135 2.094 0.322 0.885 1.000 1.000 CB 1.097 8 residues pruned to eliminate duplicates Z: 15 24.293 2.175 0.602 0.821 0.929 0.500 CA 1.519 15 residues pruned to eliminate duplicates Z: 123 58.699 2.152 0.722 0.582 0.951 0.672 CB 1.393 123 residues pruned to eliminate duplicates Z: 9 18.405 2.123 0.543 0.878 1.000 0.625 CA 1.441 9 residues pruned to eliminate duplicates Z: 80 48.201 2.157 0.656 0.604 0.975 0.671 CB 1.411 80 residues pruned to eliminate duplicates Z: 9 17.057 2.195 0.293 0.911 1.000 1.000 CB 1.506 9 residues pruned to eliminate duplicates Z: 16 23.450 2.124 0.715 0.905 0.933 0.600 CB 1.268 16 residues pruned to eliminate duplicates Z: 20 12.284 1.844 0.454 0.461 0.842 0.579 CB 1.298 20 residues pruned to eliminate duplicates Z: 7 2.647 1.716 -0.103 0.499 0.500 0.500 N 1.405 Z: 100 54.465 2.204 0.595 0.569 0.980 0.586 CB 1.485 100 residues pruned to eliminate duplicates Z: 11 7.674 1.771 0.199 0.792 0.800 0.500 CB 1.106 11 residues pruned to eliminate duplicates Z: 81 44.216 2.135 0.664 0.574 0.925 0.613 CB 1.401 81 residues pruned to eliminate duplicates Z: 10 16.411 1.878 0.741 0.831 1.000 0.778 CA 1.257 10 residues pruned to eliminate duplicates Z: 13 17.147 1.792 0.627 0.933 1.000 0.750 CB 1.185 13 residues pruned to eliminate duplicates Z: 10 8.447 1.910 0.385 0.801 0.667 0.444 CA 1.227 10 residues pruned to eliminate duplicates Z: 9 12.647 2.008 0.589 0.672 0.875 0.750 CB 1.366 9 residues pruned to eliminate duplicates Z: 104 52.302 2.160 0.673 0.568 0.951 0.621 CB 1.404 104 residues pruned to eliminate duplicates Z: 21 27.440 2.043 0.480 0.887 0.950 0.800 CB 1.540 21 residues pruned to eliminate duplicates Z: 36 30.393 2.173 0.692 0.527 0.943 0.629 CB 1.442 36 residues pruned to eliminate duplicates Z: 32 22.661 2.012 0.641 0.471 0.871 0.581 CB 1.457 32 residues pruned to eliminate duplicates Z: 8 10.655 2.050 0.285 0.825 1.000 1.000 CB 1.154 8 residues pruned to eliminate duplicates Z: 98 48.446 2.167 0.620 0.566 0.938 0.619 CB 1.402 98 residues pruned to eliminate duplicates Z: 10 19.013 2.049 0.559 0.893 1.000 0.889 CA 1.425 10 residues pruned to eliminate duplicates Z: 14 13.332 1.807 0.804 0.819 0.923 0.769 CB 0.931 14 residues pruned to eliminate duplicates Z: 8 12.925 2.149 0.432 0.844 1.000 0.857 CB 1.181 8 residues pruned to eliminate duplicates Z: 7 5.828 1.794 0.342 0.339 0.833 0.500 O 1.414 7 residues pruned to eliminate duplicates Z: 21 21.559 2.204 0.410 0.624 0.900 0.800 CB 1.533 21 residues pruned to eliminate duplicates Z: 9 12.649 1.994 0.590 0.622 1.000 0.750 CB 1.258 9 residues pruned to eliminate duplicates Z: 57 39.547 2.216 0.567 0.606 0.911 0.625 CB 1.510 57 residues pruned to eliminate duplicates Z: 9 10.908 2.066 0.288 0.800 1.000 0.625 CA 1.115 9 residues pruned to eliminate duplicates Z: 14 23.260 2.192 0.427 0.913 1.000 0.769 CA 1.459 14 residues pruned to eliminate duplicates Z: 20 35.159 2.060 0.904 0.914 0.947 0.474 CB 1.535 20 residues pruned to eliminate duplicates Z: 24 19.593 2.135 0.508 0.628 0.826 0.565 CB 1.362 24 residues pruned to eliminate duplicates Z: 79 39.621 2.100 0.552 0.592 0.974 0.603 CB 1.294 79 residues pruned to eliminate duplicates Z: 7 12.168 2.109 0.504 0.722 0.833 0.333 CB 1.538 8 residues pruned to eliminate duplicates Z: 6 4.621 1.649 0.309 0.545 1.000 0.400 CB 0.916 Z: 17 19.679 1.816 0.485 0.903 0.938 0.750 CB 1.387 17 residues pruned to eliminate duplicates Z: 9 8.354 1.908 0.255 0.827 1.000 0.875 CB 0.929 9 residues pruned to eliminate duplicates Z: 20 30.354 2.080 0.789 0.910 0.947 0.842 CB 1.401 20 residues pruned to eliminate duplicates Z: 115 48.226 2.167 0.562 0.540 0.895 0.640 CB 1.434 115 residues pruned to eliminate duplicates Z: 10 18.535 2.004 0.482 0.842 1.000 0.667 CA 1.550 10 residues pruned to eliminate duplicates Z: 43 24.388 2.012 0.563 0.499 0.952 0.619 CB 1.257 43 residues pruned to eliminate duplicates Z: 10 15.455 1.914 0.794 0.827 0.889 0.889 CA 1.272 10 residues pruned to eliminate duplicates Z: 9 9.440 1.877 0.280 0.881 0.875 0.375 CB 1.149 9 residues pruned to eliminate duplicates Z: 15 22.656 2.147 0.553 0.856 0.929 0.571 CA 1.443 15 residues pruned to eliminate duplicates Z: 14 16.838 1.827 0.628 0.905 1.000 0.538 CB 1.118 14 residues pruned to eliminate duplicates Z: 19 23.321 2.140 0.362 0.903 0.944 0.722 CB 1.423 19 residues pruned to eliminate duplicates Z: 103 54.236 2.172 0.720 0.574 0.961 0.696 CB 1.394 103 residues pruned to eliminate duplicates Z: 13 14.004 1.803 0.769 0.683 0.833 0.583 CA 1.285 13 residues pruned to eliminate duplicates Z: 20 26.625 2.097 0.441 0.922 1.000 0.684 CB 1.421 20 residues pruned to eliminate duplicates Z: 11 17.510 2.244 0.298 0.903 1.000 0.800 CB 1.355 11 residues pruned to eliminate duplicates Z: 17 17.154 1.865 0.368 0.885 0.938 0.625 CB 1.294 17 residues pruned to eliminate duplicates Z: 6 4.891 1.632 0.599 0.460 0.800 0.400 CB 1.091 6 residues pruned to eliminate duplicates Z: 123 55.407 2.155 0.628 0.566 0.934 0.615 CB 1.435 123 residues pruned to eliminate duplicates Z: 24 21.446 2.167 0.471 0.717 0.913 0.696 CB 1.262 24 residues pruned to eliminate duplicates Z: 9 25.703 2.008 1.059 0.911 1.000 0.625 CB 1.558 8 residues pruned to eliminate duplicates Z: 18 28.046 2.148 0.765 0.914 0.941 0.529 CB 1.349 18 residues pruned to eliminate duplicates Z: 10 10.741 1.879 0.165 0.882 1.000 0.778 CB 1.183 10 residues pruned to eliminate duplicates Z: 9 18.585 2.021 0.873 0.849 1.000 0.750 CA 1.287 9 residues pruned to eliminate duplicates 7 1.410 1.420 0.017 0.303 0.833 0.500 CB 0.596 ? Z: 28 28.706 2.034 0.748 0.744 0.963 0.667 CB 1.298 28 residues pruned to eliminate duplicates Z: 35 31.895 2.169 0.473 0.695 0.941 0.706 CB 1.522 35 residues pruned to eliminate duplicates Z: 30 24.222 2.089 0.478 0.489 0.966 0.448 CA 1.525 30 residues pruned to eliminate duplicates Z: 10 21.422 2.041 0.772 0.875 1.000 0.778 CB 1.436 10 residues pruned to eliminate duplicates Z: 16 12.169 1.919 0.370 0.475 0.933 0.533 CB 1.313 16 residues pruned to eliminate duplicates Z: 9 21.172 2.125 0.670 0.867 1.000 1.000 CA 1.543 9 residues pruned to eliminate duplicates Z: 10 15.335 1.904 0.832 0.735 1.000 0.667 CB 1.187 10 residues pruned to eliminate duplicates Z: 9 9.131 1.953 0.636 0.751 0.750 0.500 CA 1.077 9 residues pruned to eliminate duplicates Z: 7 7.435 1.654 0.174 0.744 1.000 0.667 CB 1.256 Z: 122 51.493 2.137 0.571 0.556 0.926 0.661 CB 1.427 122 residues pruned to eliminate duplicates Z: 13 20.403 1.840 0.783 0.917 1.000 0.917 CB 1.267 13 residues pruned to eliminate duplicates Z: 78 47.337 2.163 0.666 0.600 0.948 0.688 CB 1.435 78 residues pruned to eliminate duplicates Z: 35 19.636 1.992 0.444 0.549 0.941 0.529 CB 1.186 35 residues pruned to eliminate duplicates Z: 8 3.830 1.881 0.126 0.735 0.857 0.429 CB 0.646 8 residues pruned to eliminate duplicates Z: 35 26.002 2.013 0.650 0.526 0.971 0.618 CB 1.348 35 residues pruned to eliminate duplicates Z: 108 50.872 2.164 0.550 0.572 0.972 0.710 CB 1.408 108 residues pruned to eliminate duplicates Z: 11 10.882 1.731 0.589 0.749 0.900 0.700 CA 1.114 11 residues pruned to eliminate duplicates Z: 24 17.883 1.955 0.447 0.523 0.913 0.565 CB 1.411 24 residues pruned to eliminate duplicates Z: 11 21.290 1.820 0.812 0.931 1.000 0.900 CB 1.426 11 residues pruned to eliminate duplicates Z: 10 15.715 1.909 0.955 0.777 0.889 0.778 CA 1.236 10 residues pruned to eliminate duplicates Z: 10 20.253 2.033 0.558 0.920 1.000 0.667 CB 1.500 10 residues pruned to eliminate duplicates Z: 6 4.576 1.664 0.240 0.618 1.000 0.400 CA 0.887 Z: 11 8.201 1.700 0.443 0.843 0.800 0.300 CB 0.984 11 residues pruned to eliminate duplicates Z: 22 18.055 2.062 0.550 0.464 0.905 0.667 CB 1.413 22 residues pruned to eliminate duplicates Z: 28 19.866 1.994 0.501 0.417 1.000 0.593 CB 1.392 28 residues pruned to eliminate duplicates Z: 7 5.678 1.463 0.263 0.867 1.000 0.833 CB 0.918 6 residues pruned to eliminate duplicates Z: 50 29.772 2.101 0.582 0.491 0.939 0.510 CB 1.376 50 residues pruned to eliminate duplicates Z: 9 17.797 2.131 0.511 0.850 1.000 0.750 CA 1.448 9 residues pruned to eliminate duplicates Z: 11 13.974 1.943 0.109 0.873 1.000 0.900 CB 1.494 11 residues pruned to eliminate duplicates Z: 84 37.192 2.096 0.554 0.531 0.940 0.651 CB 1.293 84 residues pruned to eliminate duplicates Z: 28 19.661 2.032 0.276 0.692 0.926 0.630 CB 1.322 28 residues pruned to eliminate duplicates Z: 12 7.712 1.735 0.234 0.796 0.909 0.727 CB 0.922 12 residues pruned to eliminate duplicates Z: 13 8.117 1.968 0.359 0.470 0.833 0.500 CB 1.084 13 residues pruned to eliminate duplicates Z: 11 14.828 1.954 0.847 0.558 0.900 0.700 CA 1.365 11 residues pruned to eliminate duplicates Z: 66 39.003 2.139 0.652 0.530 0.985 0.646 CB 1.350 66 residues pruned to eliminate duplicates Z: 28 27.678 2.208 0.664 0.676 0.926 0.667 CB 1.331 28 residues pruned to eliminate duplicates Z: 31 34.648 2.113 0.674 0.695 0.967 0.633 CB 1.549 30 residues pruned to eliminate duplicates Z: 28 21.522 2.062 0.446 0.653 0.926 0.667 CB 1.301 27 residues pruned to eliminate duplicates Z: 9 8.413 1.954 0.494 0.762 0.750 0.750 CA 1.077 9 residues pruned to eliminate duplicates Z: 7 6.987 1.571 0.388 0.805 1.000 0.667 CB 1.002 7 residues pruned to eliminate duplicates Z: 50 34.644 2.141 0.631 0.558 0.980 0.510 CB 1.368 50 residues pruned to eliminate duplicates Z: 78 39.044 2.098 0.551 0.594 0.948 0.636 CB 1.318 78 residues pruned to eliminate duplicates Z: 10 7.211 1.832 0.172 0.772 0.667 0.667 CB 1.321 10 residues pruned to eliminate duplicates Z: 15 21.910 2.192 0.413 0.857 1.000 0.857 CA 1.394 15 residues pruned to eliminate duplicates Z: 13 6.811 1.523 0.462 0.773 0.750 0.417 CB 0.925 13 residues pruned to eliminate duplicates Z: 9 10.655 1.888 0.688 0.736 0.750 0.625 CA 1.275 9 residues pruned to eliminate duplicates Z: 30 21.494 1.998 0.490 0.618 0.897 0.483 CB 1.338 30 residues pruned to eliminate duplicates Z: 7 5.132 1.705 0.197 0.742 1.000 0.500 CB 0.826 Z: 7 3.897 1.881 0.040 0.799 0.833 0.667 CB 0.751 7 residues pruned to eliminate duplicates Z: 9 7.656 1.732 0.378 0.761 0.875 0.750 CA 1.028 9 residues pruned to eliminate duplicates Z: 10 10.905 1.934 0.210 0.830 1.000 0.778 CB 1.168 10 residues pruned to eliminate duplicates Z: 10 10.882 1.830 0.333 0.787 0.889 0.444 CB 1.300 10 residues pruned to eliminate duplicates Z: 17 22.896 2.037 0.662 0.883 1.000 0.688 CB 1.222 17 residues pruned to eliminate duplicates Z: 9 24.164 2.057 1.027 0.872 1.000 0.750 CA 1.493 10 residues pruned to eliminate duplicates Z: 6 2.836 1.812 -0.255 0.710 1.000 0.600 CB 0.777 Z: 9 18.521 2.170 0.574 0.919 1.000 0.875 CB 1.351 9 residues pruned to eliminate duplicates Z: 28 26.590 2.057 0.638 0.742 0.926 0.630 CB 1.321 26 residues pruned to eliminate duplicates Z: 9 17.307 2.060 0.600 0.874 1.000 0.750 CA 1.351 9 residues pruned to eliminate duplicates Z: 17 14.091 1.841 0.203 0.897 0.875 0.562 CB 1.301 17 residues pruned to eliminate duplicates Z: 23 19.406 2.150 0.524 0.643 0.818 0.591 CB 1.350 23 residues pruned to eliminate duplicates Z: 15 23.686 2.198 0.560 0.845 1.000 0.643 CB 1.372 15 residues pruned to eliminate duplicates Z: 8 7.165 1.697 0.379 0.636 0.857 0.571 C 1.188 8 residues pruned to eliminate duplicates Z: 8 3.340 1.550 0.114 0.277 0.857 0.286 N 1.097 8 residues pruned to eliminate duplicates Z: 11 10.302 1.969 0.415 0.480 0.800 0.600 CB 1.492 11 residues pruned to eliminate duplicates Z: 9 14.924 2.014 0.374 0.872 1.000 0.750 CA 1.389 9 residues pruned to eliminate duplicates Z: 9 8.563 2.109 0.038 0.757 1.000 0.500 CB 1.100 9 residues pruned to eliminate duplicates Z: 32 34.567 2.115 0.620 0.702 0.968 0.613 CB 1.558 32 residues pruned to eliminate duplicates Z: 22 23.168 2.154 0.575 0.711 0.905 0.619 CB 1.360 23 residues pruned to eliminate duplicates Z: 11 8.040 1.746 0.063 0.796 1.000 0.600 CB 1.056 11 residues pruned to eliminate duplicates Z: 8 8.307 1.555 0.654 0.876 0.857 0.714 CB 1.035 8 residues pruned to eliminate duplicates Z: 107 55.862 2.190 0.654 0.581 0.962 0.651 CB 1.439 107 residues pruned to eliminate duplicates Z: 11 9.529 1.900 0.310 0.793 0.900 0.500 CB 1.041 11 residues pruned to eliminate duplicates Z: 33 23.013 1.970 0.469 0.556 0.969 0.656 CB 1.374 33 residues pruned to eliminate duplicates Z: 9 15.001 2.100 0.530 0.830 1.000 0.750 CB 1.241 9 residues pruned to eliminate duplicates Z: 7 8.214 1.999 0.420 0.768 0.833 0.667 CB 1.118 7 residues pruned to eliminate duplicates Z: 8 7.562 1.662 0.296 0.657 1.000 0.714 CB 1.148 7 residues pruned to eliminate duplicates Z: 21 30.434 2.000 0.829 0.928 1.000 0.650 CB 1.303 21 residues pruned to eliminate duplicates Z: 102 51.555 2.182 0.589 0.550 0.970 0.574 CB 1.452 102 residues pruned to eliminate duplicates Z: 16 15.641 2.067 0.442 0.513 0.933 0.533 CB 1.434 16 residues pruned to eliminate duplicates Z: 13 18.337 1.792 0.656 0.922 1.000 0.583 CB 1.254 13 residues pruned to eliminate duplicates Z: 14 11.448 1.673 0.546 0.553 0.923 0.615 CA 1.263 15 residues pruned to eliminate duplicates Z: 8 4.249 1.352 0.417 0.807 0.714 0.714 CB 0.897 8 residues pruned to eliminate duplicates Z: 17 18.228 2.074 0.628 0.849 0.812 0.438 CB 1.232 17 residues pruned to eliminate duplicates Z: 20 32.498 2.141 0.733 0.921 0.947 0.737 CB 1.493 20 residues pruned to eliminate duplicates Z: 20 29.302 2.130 0.497 0.908 0.947 0.789 CA 1.582 20 residues pruned to eliminate duplicates Z: 10 15.261 1.946 0.469 0.854 1.000 0.667 CA 1.315 10 residues pruned to eliminate duplicates Z: 50 42.444 2.222 0.682 0.568 0.980 0.633 CB 1.551 50 residues pruned to eliminate duplicates Z: 10 17.920 1.996 0.523 0.839 1.000 0.556 CA 1.468 9 residues pruned to eliminate duplicates Z: 14 23.270 2.135 0.661 0.892 0.923 0.462 CA 1.417 14 residues pruned to eliminate duplicates Z: 34 23.809 2.042 0.547 0.577 0.879 0.576 CB 1.386 34 residues pruned to eliminate duplicates Z: 12 10.972 1.877 0.638 0.535 0.818 0.455 CB 1.270 13 residues pruned to eliminate duplicates Z: 39 30.040 2.079 0.580 0.652 0.921 0.605 CB 1.399 39 residues pruned to eliminate duplicates Z: 11 8.138 1.812 0.044 0.818 0.900 0.800 CB 1.146 11 residues pruned to eliminate duplicates Z: 8 16.367 2.049 0.771 0.760 1.000 0.714 CA 1.354 8 residues pruned to eliminate duplicates Z: 16 21.157 2.099 0.403 0.907 0.933 0.933 CB 1.413 16 residues pruned to eliminate duplicates Z: 6 6.779 1.748 0.056 0.810 1.000 1.000 CA 1.253 6 residues pruned to eliminate duplicates Z: 9 7.594 1.890 0.343 0.802 0.750 0.375 CB 1.083 9 residues pruned to eliminate duplicates 7 1.912 1.456 0.027 0.454 0.833 0.667 CB 0.657 ? Z: 8 5.799 1.897 0.056 0.748 1.000 0.571 CB 0.877 8 residues pruned to eliminate duplicates Z: 9 11.202 1.704 0.664 0.871 0.875 0.375 CB 1.164 9 residues pruned to eliminate duplicates Z: 52 32.808 2.089 0.483 0.633 0.902 0.647 CB 1.451 52 residues pruned to eliminate duplicates Z: 9 19.132 2.026 0.758 0.887 1.000 0.875 CB 1.369 9 residues pruned to eliminate duplicates Z: 12 14.763 2.004 0.530 0.632 0.909 0.818 CB 1.410 12 residues pruned to eliminate duplicates Z: 19 34.359 2.133 0.942 0.944 0.944 0.500 CB 1.435 19 residues pruned to eliminate duplicates Z: 9 3.111 1.590 0.086 0.239 0.750 0.375 CB 1.150 9 residues pruned to eliminate duplicates Z: 11 11.363 1.818 0.613 0.648 0.900 0.700 CB 1.186 11 residues pruned to eliminate duplicates Z: 9 18.784 1.984 0.983 0.771 1.000 0.500 CA 1.328 9 residues pruned to eliminate duplicates Z: 80 41.208 2.119 0.535 0.592 0.962 0.633 CB 1.357 80 residues pruned to eliminate duplicates Z: 6 8.651 1.820 0.623 0.677 1.000 0.800 N 1.113 Z: 10 17.052 2.025 0.497 0.863 1.000 0.889 CA 1.376 10 residues pruned to eliminate duplicates Z: 10 21.281 2.054 0.689 0.874 1.000 1.000 CA 1.488 10 residues pruned to eliminate duplicates Z: 9 11.129 1.488 0.621 0.846 1.000 0.625 N 1.212 9 residues pruned to eliminate duplicates Z: 17 17.746 1.990 0.182 0.902 1.000 0.875 CB 1.345 17 residues pruned to eliminate duplicates Z: 10 16.194 2.061 0.523 0.841 0.889 0.444 CA 1.443 10 residues pruned to eliminate duplicates Z: 9 19.857 1.952 0.993 0.896 1.000 0.875 CB 1.293 9 residues pruned to eliminate duplicates Z: 20 32.689 2.079 1.000 0.935 0.947 0.368 CB 1.327 20 residues pruned to eliminate duplicates Z: 49 32.988 2.117 0.605 0.608 0.938 0.625 CB 1.349 49 residues pruned to eliminate duplicates Z: 16 23.065 2.073 0.562 0.889 1.000 0.667 CB 1.324 16 residues pruned to eliminate duplicates Z: 10 12.134 1.950 0.502 0.686 0.889 0.667 CB 1.309 10 residues pruned to eliminate duplicates Z: 105 51.550 2.154 0.654 0.557 0.942 0.615 CB 1.424 105 residues pruned to eliminate duplicates Z: 14 29.629 2.383 0.717 0.676 1.000 0.615 CA 1.708 14 residues pruned to eliminate duplicates Z: 22 31.971 1.987 0.765 0.925 1.000 0.667 CB 1.397 22 residues pruned to eliminate duplicates Z: 29 25.708 2.196 0.610 0.548 0.929 0.571 CB 1.413 29 residues pruned to eliminate duplicates Z: 12 10.909 1.953 0.182 0.776 0.909 0.545 CB 1.229 12 residues pruned to eliminate duplicates Z: 21 18.280 2.064 0.443 0.538 0.950 0.550 CB 1.393 21 residues pruned to eliminate duplicates Z: 19 20.488 1.853 0.626 0.927 1.000 0.889 CB 1.123 19 residues pruned to eliminate duplicates Z: 12 8.862 1.562 0.475 0.803 1.000 0.364 CB 0.890 12 residues pruned to eliminate duplicates Z: 7 12.021 2.200 0.104 0.885 1.000 0.833 CB 1.459 7 residues pruned to eliminate duplicates Z: 20 34.421 2.142 0.596 0.914 1.000 0.737 CA 1.634 20 residues pruned to eliminate duplicates Z: 6 3.181 1.749 0.539 0.624 0.600 0.200 CB 0.784 6 residues pruned to eliminate duplicates Z: 17 17.348 1.956 0.485 0.897 0.938 0.875 CB 1.140 17 residues pruned to eliminate duplicates Z: 18 19.574 1.948 0.708 0.826 0.941 0.529 CB 1.144 18 residues pruned to eliminate duplicates Z: 6 2.301 1.327 0.452 0.299 0.800 0.400 C 0.836 Z: 8 10.663 1.760 0.583 0.833 0.857 0.571 CB 1.266 8 residues pruned to eliminate duplicates Z: 93 50.330 2.182 0.632 0.575 0.946 0.609 CB 1.450 93 residues pruned to eliminate duplicates Z: 10 12.008 1.845 0.327 0.871 1.000 0.667 CB 1.193 10 residues pruned to eliminate duplicates Z: 18 17.749 1.971 0.558 0.864 0.941 0.706 CB 1.092 18 residues pruned to eliminate duplicates Z: 9 7.591 1.647 0.607 0.751 0.875 0.625 CB 0.927 9 residues pruned to eliminate duplicates Z: 28 25.767 2.222 0.647 0.559 0.889 0.593 CA 1.439 28 residues pruned to eliminate duplicates Z: 18 35.278 2.149 0.973 0.922 0.941 0.529 CB 1.508 18 residues pruned to eliminate duplicates Z: 9 11.645 2.035 0.309 0.830 1.000 0.875 CA 1.162 9 residues pruned to eliminate duplicates Z: 9 7.982 1.968 0.600 0.736 0.875 0.750 CB 0.829 9 residues pruned to eliminate duplicates Z: 57 36.708 2.114 0.653 0.553 0.946 0.589 CB 1.408 57 residues pruned to eliminate duplicates Z: 13 10.274 1.488 0.649 0.860 0.917 0.417 CB 0.970 13 residues pruned to eliminate duplicates Z: 9 14.697 2.036 0.392 0.897 1.000 0.875 CA 1.313 9 residues pruned to eliminate duplicates Z: 13 10.502 1.747 0.688 0.610 0.833 0.583 CB 1.111 13 residues pruned to eliminate duplicates Z: 79 39.713 2.082 0.623 0.600 0.974 0.615 CB 1.241 79 residues pruned to eliminate duplicates Z: 11 18.407 2.119 0.603 0.704 1.000 0.800 CB 1.423 11 residues pruned to eliminate duplicates Z: 106 52.417 2.146 0.640 0.574 0.962 0.648 CB 1.407 106 residues pruned to eliminate duplicates Z: 24 34.685 2.039 0.816 0.838 1.000 0.652 CB 1.460 24 residues pruned to eliminate duplicates Z: 20 26.403 2.065 0.408 0.910 1.000 0.947 CB 1.477 20 residues pruned to eliminate duplicates Z: 34 20.398 1.942 0.508 0.585 0.848 0.545 CB 1.318 36 residues pruned to eliminate duplicates Z: 11 12.655 1.642 0.435 0.851 1.000 0.800 CB 1.257 11 residues pruned to eliminate duplicates Z: 37 25.596 2.070 0.541 0.615 0.889 0.667 CB 1.349 58 residues pruned to eliminate duplicates Z: 74 47.277 2.130 0.661 0.648 0.890 0.548 CB 1.530 74 residues pruned to eliminate duplicates Z: 6 8.363 1.748 0.600 0.860 0.800 0.400 N 1.229 6 residues pruned to eliminate duplicates Z: 30 29.031 2.071 0.739 0.529 0.966 0.621 CB 1.507 30 residues pruned to eliminate duplicates Z: 25 15.639 1.945 0.413 0.537 0.875 0.542 CB 1.281 25 residues pruned to eliminate duplicates Z: 9 13.782 1.985 0.358 0.798 1.000 0.625 CA 1.393 9 residues pruned to eliminate duplicates Z: 11 15.606 1.826 0.972 0.671 0.900 0.700 CB 1.300 11 residues pruned to eliminate duplicates Z: 19 17.740 2.138 0.409 0.647 0.889 0.667 CB 1.362 19 residues pruned to eliminate duplicates Z: 25 18.447 1.995 0.439 0.536 0.958 0.625 CB 1.321 25 residues pruned to eliminate duplicates 6 1.935 1.481 0.049 0.457 0.800 0.600 CA 0.727 ? Z: 19 9.534 1.921 0.277 0.496 0.944 0.389 CB 0.974 19 residues pruned to eliminate duplicates Z: 7 3.484 1.630 0.099 0.699 0.667 0.333 CB 0.993 7 residues pruned to eliminate duplicates Z: 17 18.640 1.869 0.412 0.834 0.938 0.688 CB 1.412 17 residues pruned to eliminate duplicates Z: 7 5.291 1.561 0.480 0.678 0.667 0.333 CB 1.191 7 residues pruned to eliminate duplicates Z: 14 12.034 1.837 0.452 0.836 0.923 0.462 CB 1.014 18 residues pruned to eliminate duplicates Z: 113 48.704 2.131 0.527 0.574 0.938 0.598 CB 1.404 113 residues pruned to eliminate duplicates Z: 15 13.924 1.924 0.700 0.626 1.000 0.786 CB 1.011 15 residues pruned to eliminate duplicates Z: 12 5.556 1.528 0.418 0.702 0.818 0.545 CB 0.786 12 residues pruned to eliminate duplicates Z: 9 9.702 1.866 0.561 0.792 0.875 0.625 CB 1.042 9 residues pruned to eliminate duplicates Z: 12 6.860 1.699 0.403 0.474 0.909 0.545 CB 0.980 12 residues pruned to eliminate duplicates Z: 17 16.731 1.809 0.247 0.881 0.938 0.875 CB 1.432 17 residues pruned to eliminate duplicates Z: 12 15.292 1.936 0.600 0.630 0.909 0.818 CA 1.449 12 residues pruned to eliminate duplicates Z: 24 16.920 1.928 0.575 0.457 0.870 0.435 CB 1.396 24 residues pruned to eliminate duplicates Z: 13 11.594 1.877 1.118 0.477 0.750 0.500 CB 1.149 Z: 27 15.892 1.798 0.549 0.613 0.885 0.423 CB 1.137 27 residues pruned to eliminate duplicates Z: 117 56.508 2.177 0.645 0.604 0.957 0.664 CB 1.386 117 residues pruned to eliminate duplicates Z: 8 19.056 2.071 0.746 0.871 1.000 0.429 CB 1.453 8 residues pruned to eliminate duplicates Z: 13 18.150 1.789 0.578 0.910 1.000 0.750 CB 1.316 13 residues pruned to eliminate duplicates Z: 10 13.191 1.975 0.480 0.804 1.000 0.667 CA 1.153 10 residues pruned to eliminate duplicates Z: 38 29.267 2.013 0.779 0.638 0.865 0.514 CB 1.365 39 residues pruned to eliminate duplicates Z: 64 36.620 2.081 0.620 0.610 0.968 0.651 CB 1.274 64 residues pruned to eliminate duplicates Z: 17 11.921 1.904 0.480 0.558 0.938 0.625 CB 1.066 17 residues pruned to eliminate duplicates Z: 21 19.514 1.998 0.213 0.917 1.000 0.750 CB 1.270 21 residues pruned to eliminate duplicates Z: 10 8.243 1.917 0.041 0.856 0.778 0.444 CA 1.306 10 residues pruned to eliminate duplicates Z: 6 6.790 1.619 0.158 0.798 1.000 0.800 CA 1.248 5 residues pruned to eliminate duplicates Z: 8 13.212 2.067 0.833 0.685 0.857 0.714 CA 1.298 9 residues pruned to eliminate duplicates Z: 54 28.579 1.983 0.676 0.472 0.943 0.604 CB 1.288 54 residues pruned to eliminate duplicates Z: 11 6.515 1.714 0.286 0.660 0.800 0.600 CB 1.007 11 residues pruned to eliminate duplicates Z: 16 11.402 2.023 0.625 0.465 0.667 0.533 CB 1.392 11 residues pruned to eliminate duplicates Z: 7 10.687 1.870 0.506 0.635 1.000 0.500 CB 1.365 7 residues pruned to eliminate duplicates Z: 24 22.235 2.037 0.670 0.548 0.957 0.609 CB 1.359 24 residues pruned to eliminate duplicates Z: 48 40.317 2.212 0.624 0.574 1.000 0.617 CB 1.525 48 residues pruned to eliminate duplicates Z: 8 6.717 1.720 0.433 0.819 0.714 0.571 CB 1.094 8 residues pruned to eliminate duplicates Z: 18 22.198 2.084 0.459 0.907 0.941 0.765 CB 1.337 18 residues pruned to eliminate duplicates Z: 14 11.204 1.821 0.165 0.749 0.769 0.692 N 1.525 14 residues pruned to eliminate duplicates Z: 13 22.019 1.840 0.854 0.935 1.000 0.833 CB 1.299 13 residues pruned to eliminate duplicates Z: 13 8.919 1.665 0.439 0.773 0.917 0.417 CB 0.920 13 residues pruned to eliminate duplicates Z: 38 26.760 2.115 0.367 0.688 0.919 0.730 CB 1.393 38 residues pruned to eliminate duplicates Z: 14 10.007 2.039 0.203 0.526 0.846 0.462 CB 1.303 14 residues pruned to eliminate duplicates Z: 19 19.991 1.839 0.661 0.910 1.000 0.889 CB 1.094 19 residues pruned to eliminate duplicates Z: 8 10.372 1.794 0.553 0.870 1.000 0.857 CB 1.027 8 residues pruned to eliminate duplicates Z: 13 6.383 1.717 0.181 0.416 0.833 0.500 CB 1.190 13 residues pruned to eliminate duplicates Z: 6 4.418 1.532 -0.038 0.803 1.000 0.800 O 1.029 Z: 19 20.147 1.841 0.707 0.901 1.000 0.889 CB 1.079 19 residues pruned to eliminate duplicates Z: 9 12.600 1.981 0.393 0.845 1.000 0.875 CA 1.200 9 residues pruned to eliminate duplicates Z: 17 10.160 1.866 0.503 0.571 0.812 0.438 CB 1.040 17 residues pruned to eliminate duplicates Z: 16 22.505 2.048 0.780 0.881 1.000 0.667 CB 1.154 16 residues pruned to eliminate duplicates Z: 6 2.811 1.477 0.286 0.490 0.800 0.400 CB 0.835 Z: 13 11.825 1.890 0.451 0.672 0.917 0.583 CB 1.159 13 residues pruned to eliminate duplicates Z: 18 19.186 1.826 0.665 0.891 1.000 0.471 CB 1.101 18 residues pruned to eliminate duplicates Z: 8 11.656 1.934 0.348 0.904 1.000 1.000 CA 1.203 8 residues pruned to eliminate duplicates Z: 6 14.930 2.201 0.651 0.752 1.000 1.000 CB 1.468 6 residues pruned to eliminate duplicates Z: 9 10.742 1.921 0.568 0.836 0.875 0.875 CB 1.079 9 residues pruned to eliminate duplicates Z: 12 21.397 1.860 0.781 0.936 1.000 1.000 CB 1.356 12 residues pruned to eliminate duplicates Z: 9 8.249 1.640 0.522 0.834 1.000 0.625 CB 0.876 9 residues pruned to eliminate duplicates Z: 12 19.436 1.867 0.619 0.921 1.000 0.727 CB 1.364 12 residues pruned to eliminate duplicates Z: 9 13.174 1.996 0.892 0.762 0.875 0.750 CB 1.117 9 residues pruned to eliminate duplicates Z: 7 4.554 1.475 0.190 0.719 0.833 0.333 CB 1.042 7 residues pruned to eliminate duplicates Z: 8 5.696 1.560 0.265 0.465 1.000 0.571 CA 1.131 8 residues pruned to eliminate duplicates Z: 19 19.666 1.805 0.590 0.942 1.000 1.000 CB 1.120 19 residues pruned to eliminate duplicates Z: 8 3.925 1.663 0.102 0.558 0.857 0.571 CB 0.893 8 residues pruned to eliminate duplicates Z: 8 6.867 1.779 0.410 0.692 0.857 0.429 CB 1.013 8 residues pruned to eliminate duplicates Z: 9 13.912 2.017 0.334 0.875 1.000 0.875 CA 1.330 9 residues pruned to eliminate duplicates Z: 11 11.925 1.856 0.456 0.830 1.000 0.600 CB 1.049 11 residues pruned to eliminate duplicates Z: 9 15.636 2.012 0.742 0.756 0.875 0.875 CB 1.436 9 residues pruned to eliminate duplicates Z: 40 31.769 2.118 0.619 0.550 1.000 0.641 CB 1.412 40 residues pruned to eliminate duplicates Z: 47 25.809 2.060 0.549 0.553 0.870 0.413 CB 1.302 47 residues pruned to eliminate duplicates Z: 46 35.119 2.172 0.661 0.606 0.911 0.711 CB 1.440 46 residues pruned to eliminate duplicates Z: 9 13.585 1.775 0.771 0.823 1.000 0.750 CB 1.154 9 residues pruned to eliminate duplicates Z: 10 6.503 1.659 0.163 0.762 0.889 0.556 CB 1.002 10 residues pruned to eliminate duplicates Z: 15 16.738 1.915 0.119 0.934 1.000 1.000 CB 1.457 15 residues pruned to eliminate duplicates Z: 16 15.683 2.085 0.450 0.847 0.933 0.733 CB 1.066 16 residues pruned to eliminate duplicates Z: 10 6.872 1.807 0.568 0.419 0.778 0.556 CA 1.131 10 residues pruned to eliminate duplicates Z: 59 28.094 2.096 0.473 0.553 0.914 0.638 CB 1.242 59 residues pruned to eliminate duplicates Z: 13 6.305 1.441 0.325 0.723 0.917 0.583 CB 0.851 13 residues pruned to eliminate duplicates Z: 27 14.591 1.924 0.440 0.409 0.923 0.462 CB 1.231 27 residues pruned to eliminate duplicates Z: 17 17.834 1.854 0.338 0.805 0.938 0.375 CB 1.469 17 residues pruned to eliminate duplicates Z: 49 34.892 2.090 0.731 0.496 0.958 0.521 CA 1.458 49 residues pruned to eliminate duplicates Z: 11 8.257 1.707 0.361 0.880 0.900 0.700 CB 0.905 11 residues pruned to eliminate duplicates Z: 21 18.545 2.129 0.406 0.656 0.850 0.650 CB 1.410 21 residues pruned to eliminate duplicates Z: 122 55.462 2.166 0.614 0.570 0.942 0.570 CB 1.430 122 residues pruned to eliminate duplicates Z: 49 38.645 2.182 0.632 0.557 0.958 0.521 CB 1.547 49 residues pruned to eliminate duplicates Z: 13 12.928 1.964 0.399 0.642 1.000 0.833 CB 1.189 13 residues pruned to eliminate duplicates Z: 15 18.847 1.848 0.716 0.935 1.000 0.357 CB 1.107 15 residues pruned to eliminate duplicates Z: 8 6.080 1.725 0.620 0.435 0.857 0.571 CA 1.026 5 residues pruned to eliminate duplicates Z: 14 14.008 1.691 0.809 0.608 1.000 0.538 CA 1.147 13 residues pruned to eliminate duplicates Z: 9 7.306 1.537 0.397 0.777 0.875 0.625 CB 1.077 9 residues pruned to eliminate duplicates Z: 6 2.064 1.313 0.437 0.290 0.800 0.800 N 0.774 Z: 62 30.329 2.040 0.605 0.580 0.918 0.557 CB 1.196 62 residues pruned to eliminate duplicates Z: 12 17.680 2.187 0.408 0.833 0.909 0.636 CB 1.429 12 residues pruned to eliminate duplicates Z: 7 8.610 1.543 0.947 0.541 1.000 0.500 CA 1.124 9 1.883 1.229 0.044 0.350 0.875 0.375 CB 0.697 ? Z: 156 62.085 2.137 0.559 0.608 0.968 0.632 CB 1.396 157 residues pruned to eliminate duplicates Z: 7 4.272 1.582 0.028 0.701 1.000 0.833 CB 0.893 7 residues pruned to eliminate duplicates Z: 9 7.562 1.952 0.324 0.786 0.750 0.625 CA 1.073 9 residues pruned to eliminate duplicates Z: 8 6.633 1.886 0.313 0.617 0.714 0.286 CB 1.269 8 residues pruned to eliminate duplicates Z: 29 32.990 2.289 0.641 0.630 0.964 0.571 CB 1.523 29 residues pruned to eliminate duplicates Z: 9 8.850 1.962 0.498 0.528 0.750 0.375 CB 1.381 9 residues pruned to eliminate duplicates Z: 116 56.559 2.163 0.793 0.564 0.948 0.600 CB 1.348 116 residues pruned to eliminate duplicates Z: 21 17.223 1.985 0.540 0.518 0.950 0.800 CB 1.302 21 residues pruned to eliminate duplicates Z: 81 43.800 2.157 0.636 0.524 0.988 0.625 CB 1.373 81 residues pruned to eliminate duplicates Z: 10 18.481 1.944 0.674 0.921 1.000 1.000 CB 1.332 10 residues pruned to eliminate duplicates Z: 20 25.300 1.939 0.848 0.706 0.947 0.474 CB 1.418 20 residues pruned to eliminate duplicates 6 1.941 1.538 -0.116 0.298 0.800 0.600 C 1.000 ? Z: 54 40.516 2.126 0.606 0.632 1.000 0.698 CB 1.440 54 residues pruned to eliminate duplicates Z: 41 22.875 2.004 0.513 0.477 0.900 0.525 CB 1.356 41 residues pruned to eliminate duplicates Z: 29 20.778 2.008 0.531 0.644 0.857 0.536 CB 1.302 29 residues pruned to eliminate duplicates Z: 26 40.713 2.099 0.856 0.807 0.960 0.560 CA 1.666 26 residues pruned to eliminate duplicates Z: 56 36.353 2.127 0.600 0.578 0.964 0.709 CB 1.387 56 residues pruned to eliminate duplicates Z: 17 18.965 1.826 0.382 0.911 1.000 0.875 CB 1.332 17 residues pruned to eliminate duplicates Z: 17 18.318 1.820 0.557 0.880 0.875 0.438 CB 1.339 17 residues pruned to eliminate duplicates Z: 35 28.349 2.219 0.590 0.580 0.912 0.618 CB 1.399 35 residues pruned to eliminate duplicates Z: 10 11.510 1.758 0.341 0.902 1.000 0.778 CB 1.161 10 residues pruned to eliminate duplicates Z: 11 12.730 1.909 0.338 0.789 1.000 0.700 CA 1.223 11 residues pruned to eliminate duplicates Z: 10 12.856 1.668 0.814 0.847 1.000 0.444 CB 1.051 10 residues pruned to eliminate duplicates Z: 8 5.845 1.624 0.522 0.572 0.857 0.429 CB 0.972 8 residues pruned to eliminate duplicates Z: 10 9.268 1.925 0.460 0.845 0.889 0.778 CB 0.919 10 residues pruned to eliminate duplicates Z: 6 4.163 1.616 0.122 0.671 0.800 0.600 CA 1.096 6 residues pruned to eliminate duplicates Z: 54 38.406 2.105 0.726 0.618 0.962 0.604 CB 1.350 54 residues pruned to eliminate duplicates Z: 13 11.477 1.793 0.579 0.696 0.917 0.667 CB 1.068 13 residues pruned to eliminate duplicates Z: 8 7.990 1.719 0.112 0.829 1.000 0.714 CB 1.189 8 residues pruned to eliminate duplicates Z: 20 30.645 2.067 0.857 0.895 0.947 0.579 CB 1.387 20 residues pruned to eliminate duplicates Z: 12 9.565 1.672 0.422 0.555 0.909 0.545 CB 1.265 12 residues pruned to eliminate duplicates Z: 20 28.945 1.999 0.912 0.924 0.947 0.579 CB 1.287 20 residues pruned to eliminate duplicates Z: 34 38.541 2.164 0.750 0.714 0.939 0.727 CB 1.554 34 residues pruned to eliminate duplicates Z: 26 27.768 2.056 0.582 0.730 0.880 0.560 CB 1.577 26 residues pruned to eliminate duplicates Z: 19 26.172 2.208 0.758 0.590 1.000 0.611 CA 1.458 19 residues pruned to eliminate duplicates Z: 6 2.482 1.422 0.199 0.457 0.800 0.800 CB 0.851 Z: 30 32.963 2.243 0.654 0.568 1.000 0.655 CB 1.545 30 residues pruned to eliminate duplicates Z: 9 15.049 2.007 0.684 0.871 0.875 0.875 CA 1.313 9 residues pruned to eliminate duplicates Z: 43 36.631 2.214 0.697 0.557 0.976 0.548 CB 1.459 43 residues pruned to eliminate duplicates Z: 11 9.559 1.753 -0.087 0.931 1.000 1.000 CA 1.320 11 residues pruned to eliminate duplicates Z: 8 6.537 1.769 0.297 0.859 0.714 0.571 CB 1.109 8 residues pruned to eliminate duplicates Z: 44 29.468 2.104 0.593 0.536 0.930 0.535 CB 1.392 44 residues pruned to eliminate duplicates Z: 75 35.094 2.091 0.493 0.570 0.946 0.608 CB 1.291 75 residues pruned to eliminate duplicates Z: 15 16.235 1.949 0.190 0.880 1.000 0.786 CB 1.355 15 residues pruned to eliminate duplicates Z: 7 5.738 1.683 0.325 0.851 0.667 0.500 CB 1.166 7 residues pruned to eliminate duplicates Z: 15 25.552 2.146 0.613 0.883 0.929 0.571 CB 1.536 15 residues pruned to eliminate duplicates Z: 7 7.663 1.755 0.425 0.631 0.833 0.833 C 1.328 7 residues pruned to eliminate duplicates Z: 10 9.613 1.973 0.687 0.383 0.889 0.444 CA 1.226 10 residues pruned to eliminate duplicates Z: 13 12.869 1.756 0.624 0.641 0.833 0.583 CA 1.371 13 residues pruned to eliminate duplicates Z: 7 8.505 1.761 0.331 0.799 1.000 0.667 CA 1.140 7 residues pruned to eliminate duplicates Z: 6 3.206 1.714 -0.070 0.603 0.600 0.400 CA 1.358 6 residues pruned to eliminate duplicates Z: 7 8.878 1.888 0.707 0.686 0.833 0.833 CA 1.138 7 residues pruned to eliminate duplicates Z: 44 23.230 2.003 0.513 0.491 0.907 0.605 CB 1.300 44 residues pruned to eliminate duplicates Z: 45 29.819 1.992 0.453 0.647 0.909 0.750 CB 1.490 46 residues pruned to eliminate duplicates Z: 71 35.704 2.146 0.435 0.493 0.943 0.543 CB 1.481 71 residues pruned to eliminate duplicates Z: 13 11.480 1.865 0.677 0.626 0.833 0.583 CA 1.129 13 residues pruned to eliminate duplicates Z: 31 26.281 2.037 0.542 0.641 0.900 0.567 CB 1.488 31 residues pruned to eliminate duplicates Z: 8 11.559 2.251 0.477 0.698 0.857 0.857 CB 1.280 8 residues pruned to eliminate duplicates Z: 24 21.368 2.026 0.573 0.549 0.957 0.609 CB 1.393 24 residues pruned to eliminate duplicates Z: 6 5.123 1.892 0.319 0.618 0.800 0.800 CA 1.027 6 residues pruned to eliminate duplicates Z: 6 7.841 1.830 0.315 0.774 0.800 0.600 CB 1.429 6 residues pruned to eliminate duplicates Z: 69 30.140 2.086 0.538 0.517 0.912 0.588 CB 1.229 69 residues pruned to eliminate duplicates Z: 11 9.085 1.879 0.497 0.780 0.800 0.600 CB 0.997 11 residues pruned to eliminate duplicates Z: 15 9.887 1.841 0.423 0.533 0.786 0.714 CB 1.242 15 residues pruned to eliminate duplicates Z: 8 7.669 1.738 0.356 0.660 0.857 0.429 CB 1.237 8 residues pruned to eliminate duplicates Z: 21 20.522 2.043 0.508 0.577 0.950 0.650 CB 1.456 21 residues pruned to eliminate duplicates Z: 47 37.320 2.100 0.708 0.623 0.978 0.674 CB 1.396 47 residues pruned to eliminate duplicates Z: 9 10.886 2.018 0.339 0.812 0.875 0.750 CA 1.241 9 residues pruned to eliminate duplicates Z: 11 3.546 1.638 0.189 0.397 0.800 0.400 CB 0.803 11 residues pruned to eliminate duplicates Z: 9 7.874 1.631 0.799 0.864 0.875 0.500 CB 0.795 9 residues pruned to eliminate duplicates Z: 13 15.578 1.869 0.850 0.671 0.917 0.583 CB 1.211 13 residues pruned to eliminate duplicates Z: 7 6.942 1.746 0.478 0.832 0.833 0.667 CA 0.990 7 residues pruned to eliminate duplicates Z: 16 11.687 1.862 -0.047 0.846 0.933 0.733 CB 1.354 16 residues pruned to eliminate duplicates Z: 14 6.221 1.570 0.490 0.320 0.769 0.615 CB 1.170 14 residues pruned to eliminate duplicates Z: 16 16.856 1.907 0.187 0.933 1.000 0.800 CB 1.342 16 residues pruned to eliminate duplicates Z: 14 23.234 1.895 0.742 0.828 1.000 0.615 CB 1.471 14 residues pruned to eliminate duplicates Z: 21 11.631 1.890 0.520 0.522 0.800 0.550 CB 1.106 21 residues pruned to eliminate duplicates Z: 23 19.667 1.943 0.678 0.571 0.955 0.682 CB 1.258 23 residues pruned to eliminate duplicates Z: 18 18.052 1.935 0.563 0.842 0.941 0.706 CB 1.147 18 residues pruned to eliminate duplicates Z: 18 17.499 1.733 0.513 0.891 1.000 0.471 CB 1.163 18 residues pruned to eliminate duplicates Z: 23 31.826 2.222 0.739 0.646 1.000 0.545 CB 1.533 23 residues pruned to eliminate duplicates Z: 6 4.262 1.592 -0.124 0.588 1.000 0.800 CB 1.257 Z: 7 5.076 1.649 0.186 0.530 1.000 0.667 CB 1.029 6 residues pruned to eliminate duplicates Z: 8 3.889 1.614 -0.008 0.651 0.857 0.571 CB 0.930 8 residues pruned to eliminate duplicates Z: 8 10.239 2.049 0.513 0.665 0.857 0.714 CB 1.251 8 residues pruned to eliminate duplicates Z: 21 24.799 1.965 0.650 0.916 0.950 0.650 CB 1.272 21 residues pruned to eliminate duplicates Z: 6 2.848 1.830 -0.100 0.665 1.000 0.800 CB 0.663 6 residues pruned to eliminate duplicates Z: 7 3.939 1.395 0.362 0.675 1.000 0.833 CB 0.720 7 residues pruned to eliminate duplicates Z: 13 12.835 1.767 0.203 0.906 1.000 0.750 CB 1.240 13 residues pruned to eliminate duplicates Z: 6 3.207 1.556 0.039 0.353 0.800 0.600 CA 1.299 6 residues pruned to eliminate duplicates Z: 8 11.840 1.818 0.529 0.875 1.000 0.429 CB 1.171 8 residues pruned to eliminate duplicates Z: 13 14.038 1.954 0.678 0.585 0.917 0.583 CB 1.243 13 residues pruned to eliminate duplicates Z: 27 22.095 2.020 0.443 0.727 0.962 0.654 CB 1.261 27 residues pruned to eliminate duplicates Z: 12 11.134 1.761 0.412 0.517 1.000 0.636 CA 1.328 12 residues pruned to eliminate duplicates Z: 100 54.817 2.179 0.628 0.586 0.970 0.646 CB 1.475 100 residues pruned to eliminate duplicates Z: 30 22.311 2.106 0.415 0.491 0.931 0.586 CA 1.506 30 residues pruned to eliminate duplicates Z: 26 23.891 2.113 0.510 0.696 0.960 0.520 CB 1.305 26 residues pruned to eliminate duplicates Z: 24 35.043 2.045 0.830 0.848 1.000 0.652 CB 1.449 24 residues pruned to eliminate duplicates Z: 11 9.356 1.826 0.576 0.815 0.800 0.600 CB 0.977 11 residues pruned to eliminate duplicates Z: 58 31.733 2.129 0.511 0.518 0.947 0.614 CB 1.354 58 residues pruned to eliminate duplicates Z: 11 13.504 1.842 0.566 0.720 1.000 0.700 CB 1.214 11 residues pruned to eliminate duplicates Z: 16 20.076 1.909 0.584 0.900 1.000 0.400 CB 1.224 16 residues pruned to eliminate duplicates Z: 14 16.121 1.799 0.678 0.586 1.000 0.692 CA 1.364 14 residues pruned to eliminate duplicates Z: 10 4.976 1.864 0.049 0.640 0.889 0.778 CB 0.837 10 residues pruned to eliminate duplicates Z: 6 2.270 1.462 0.019 0.701 1.000 0.800 CB 0.567 Z: 10 4.963 1.498 0.132 0.474 0.889 0.444 CB 1.126 Z: 27 17.314 1.916 0.637 0.493 0.885 0.500 CB 1.233 17 residues pruned to eliminate duplicates Z: 10 7.694 1.662 0.190 0.804 0.889 0.444 CB 1.119 10 residues pruned to eliminate duplicates Z: 6 2.957 1.391 0.082 0.475 1.000 0.400 CB 0.901 6 residues pruned to eliminate duplicates Z: 9 10.934 1.727 0.361 0.782 1.000 0.625 CA 1.284 9 residues pruned to eliminate duplicates Z: 14 8.697 1.818 0.396 0.608 0.846 0.231 CB 1.013 14 residues pruned to eliminate duplicates Z: 39 28.243 1.918 0.770 0.667 0.895 0.553 CB 1.292 39 residues pruned to eliminate duplicates Z: 9 18.592 2.036 0.642 0.897 1.000 0.250 CA 1.407 9 residues pruned to eliminate duplicates Z: 12 7.585 1.500 0.260 0.853 1.000 0.636 CB 0.894 12 residues pruned to eliminate duplicates Z: 17 12.544 1.949 0.502 0.567 0.875 0.562 CB 1.147 17 residues pruned to eliminate duplicates Z: 12 15.221 1.944 0.707 0.665 0.909 0.818 CB 1.305 12 residues pruned to eliminate duplicates Z: 42 29.360 2.069 0.566 0.597 0.951 0.610 CB 1.356 42 residues pruned to eliminate duplicates Z: 10 16.186 1.846 0.829 0.815 1.000 0.889 CA 1.216 10 residues pruned to eliminate duplicates Z: 13 13.709 2.098 0.515 0.548 1.000 0.750 CB 1.188 13 residues pruned to eliminate duplicates Z: 28 22.090 2.223 0.338 0.648 0.926 0.556 CB 1.345 28 residues pruned to eliminate duplicates Z: 9 10.570 1.769 0.381 0.835 1.000 0.750 CA 1.146 9 residues pruned to eliminate duplicates Z: 40 33.151 2.209 0.591 0.533 0.974 0.487 CA 1.501 40 residues pruned to eliminate duplicates Z: 10 9.361 2.084 0.201 0.474 0.889 0.667 CB 1.440 10 residues pruned to eliminate duplicates Z: 10 7.200 1.620 0.385 0.467 0.889 0.556 CA 1.245 10 residues pruned to eliminate duplicates Z: 9 6.426 1.592 0.636 0.273 1.000 0.625 CA 1.128 9 residues pruned to eliminate duplicates Z: 15 13.574 1.824 0.634 0.573 0.929 0.500 CB 1.222 15 residues pruned to eliminate duplicates Z: 17 11.131 1.683 0.667 0.405 0.875 0.500 CB 1.253 17 residues pruned to eliminate duplicates Z: 8 8.460 1.816 0.460 0.758 1.000 0.571 CB 0.959 8 residues pruned to eliminate duplicates Z: 45 27.609 2.129 0.486 0.550 0.864 0.545 CB 1.451 45 residues pruned to eliminate duplicates Z: 48 40.434 2.216 0.656 0.590 0.979 0.574 CB 1.506 48 residues pruned to eliminate duplicates Z: 8 12.911 1.944 0.438 0.757 1.000 0.857 CB 1.389 8 residues pruned to eliminate duplicates Z: 9 18.233 2.027 0.742 0.878 1.000 0.625 CA 1.326 9 residues pruned to eliminate duplicates Z: 6 2.136 1.574 -0.001 0.483 0.800 0.600 CB 0.772 Z: 10 3.709 1.227 0.334 0.275 1.000 0.556 O 0.975 Z: 50 33.229 2.091 0.657 0.491 0.939 0.551 CB 1.473 50 residues pruned to eliminate duplicates Z: 9 8.273 1.803 0.162 0.634 1.000 0.625 CB 1.232 9 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 8 6.068 1.628 0.431 0.497 0.857 0.571 CB 1.152 8 residues pruned to eliminate duplicates Z: 8 8.311 1.589 0.541 0.558 1.000 0.429 CB 1.212 7 residues pruned to eliminate duplicates Z: 6 7.662 1.812 0.408 0.701 0.800 0.800 CB 1.398 6 residues pruned to eliminate duplicates Z: 6 7.563 1.782 0.730 0.538 0.800 0.600 CA 1.321 6 residues pruned to eliminate duplicates Z: 44 29.303 2.097 0.591 0.482 0.930 0.628 CB 1.466 44 residues pruned to eliminate duplicates Z: 18 13.084 1.771 0.446 0.588 0.941 0.647 CA 1.211 18 residues pruned to eliminate duplicates Z: 11 6.149 1.621 0.420 0.534 0.900 0.400 CB 0.908 11 residues pruned to eliminate duplicates Z: 8 6.532 1.789 0.344 0.638 0.857 0.714 CB 1.052 8 residues pruned to eliminate duplicates Z: 8 8.245 1.781 0.457 0.616 1.000 0.714 CB 1.076 8 residues pruned to eliminate duplicates Z: 9 6.436 1.719 0.345 0.658 0.875 0.750 CB 0.971 9 residues pruned to eliminate duplicates Z: 8 3.925 1.669 0.395 0.472 0.571 0.286 CB 1.148 8 residues pruned to eliminate duplicates Z: 12 14.687 2.011 0.568 0.636 0.909 0.818 CB 1.360 12 residues pruned to eliminate duplicates Z: 6 6.185 2.001 0.309 0.277 1.000 0.400 CA 1.359 7 residues pruned to eliminate duplicates Z: 6 4.155 1.505 0.461 0.326 1.000 0.800 CB 1.023 6 residues pruned to eliminate duplicates Z: 12 15.641 1.977 0.588 0.569 0.909 0.727 CB 1.546 11 residues pruned to eliminate duplicates Z: 8 10.500 1.750 0.505 0.670 1.000 0.571 CA 1.287 7 residues pruned to eliminate duplicates Z: 9 10.580 1.840 0.740 0.642 0.750 0.375 CB 1.364 10 residues pruned to eliminate duplicates Z: 8 9.091 1.790 0.322 0.777 0.857 0.571 CA 1.327 8 residues pruned to eliminate duplicates Z: 22 16.319 2.049 0.410 0.614 0.905 0.476 CB 1.223 22 residues pruned to eliminate duplicates Z: 31 15.237 1.968 0.338 0.573 0.800 0.467 CB 1.230 31 residues pruned to eliminate duplicates Z: 28 17.346 2.001 0.408 0.585 0.889 0.407 CB 1.229 28 residues pruned to eliminate duplicates Z: 15 19.467 2.038 0.713 0.780 0.857 0.429 CB 1.359 15 residues pruned to eliminate duplicates Z: 28 22.067 2.078 0.498 0.621 0.963 0.593 CB 1.263 28 residues pruned to eliminate duplicates Z: 29 18.081 2.037 0.331 0.635 0.857 0.500 CB 1.295 29 residues pruned to eliminate duplicates Z: 27 19.783 2.088 0.447 0.659 0.885 0.577 CB 1.253 27 residues pruned to eliminate duplicates Z: 28 19.869 2.076 0.483 0.630 0.889 0.481 CB 1.236 28 residues pruned to eliminate duplicates Z: 10 14.841 2.192 0.429 0.788 1.000 0.444 CB 1.226 10 residues pruned to eliminate duplicates Z: 28 18.515 2.088 0.408 0.640 0.815 0.481 CB 1.304 28 residues pruned to eliminate duplicates Z: 65 35.738 2.103 0.454 0.659 0.906 0.625 CB 1.391 65 residues pruned to eliminate duplicates Z: 15 11.735 1.850 0.400 0.720 0.929 0.571 CB 1.069 15 residues pruned to eliminate duplicates Z: 22 20.804 2.147 0.541 0.746 0.857 0.619 CB 1.285 22 residues pruned to eliminate duplicates Z: 26 18.769 2.029 0.491 0.575 0.880 0.520 CB 1.311 26 residues pruned to eliminate duplicates Z: 14 9.072 1.843 0.418 0.514 0.846 0.615 CB 1.122 14 residues pruned to eliminate duplicates Z: 29 17.968 2.028 0.430 0.674 0.786 0.571 CB 1.269 29 residues pruned to eliminate duplicates Z: 13 8.108 1.884 0.611 0.516 0.750 0.417 CB 1.012 13 residues pruned to eliminate duplicates Z: 40 23.308 2.051 0.591 0.574 0.821 0.538 CB 1.298 40 residues pruned to eliminate duplicates Z: 28 23.280 2.079 0.535 0.632 0.926 0.444 CB 1.340 28 residues pruned to eliminate duplicates Z: 29 19.432 2.042 0.480 0.597 0.857 0.464 CB 1.292 29 residues pruned to eliminate duplicates Z: 28 17.909 2.056 0.465 0.612 0.852 0.481 CB 1.208 28 residues pruned to eliminate duplicates Z: 8 6.853 1.831 0.499 0.355 0.857 0.286 CB 1.288 8 residues pruned to eliminate duplicates Z: 53 31.623 2.081 0.493 0.692 0.846 0.442 CB 1.399 53 residues pruned to eliminate duplicates Z: 15 16.480 1.869 0.788 0.581 0.857 0.429 CB 1.423 15 residues pruned to eliminate duplicates Z: 54 32.001 2.053 0.483 0.659 0.887 0.604 CB 1.405 54 residues pruned to eliminate duplicates Z: 54 32.632 2.105 0.484 0.663 0.849 0.679 CB 1.453 54 residues pruned to eliminate duplicates Z: 31 36.948 2.204 0.591 0.746 0.967 0.800 CB 1.597 31 residues pruned to eliminate duplicates Z: 26 28.710 2.138 0.510 0.751 0.920 0.800 CA 1.545 26 residues pruned to eliminate duplicates Z: 17 14.648 1.953 0.347 0.583 0.875 0.500 CB 1.470 17 residues pruned to eliminate duplicates Z: 75 34.432 2.091 0.481 0.679 0.811 0.595 CB 1.352 75 residues pruned to eliminate duplicates Z: 26 33.904 2.157 0.602 0.760 0.960 0.560 CA 1.623 26 residues pruned to eliminate duplicates Z: 30 36.904 2.149 0.705 0.721 0.966 0.690 CA 1.586 30 residues pruned to eliminate duplicates Z: 26 36.062 2.147 0.638 0.769 0.960 0.760 CB 1.684 26 residues pruned to eliminate duplicates Z: 31 37.055 2.142 0.699 0.752 0.933 0.667 CB 1.591 31 residues pruned to eliminate duplicates Z: 45 36.926 2.144 0.566 0.732 0.909 0.591 CB 1.480 45 residues pruned to eliminate duplicates Z: 31 31.710 2.104 0.692 0.675 0.900 0.567 CB 1.539 31 residues pruned to eliminate duplicates Z: 31 37.006 2.078 0.804 0.741 0.933 0.567 CB 1.557 31 residues pruned to eliminate duplicates Z: 86 47.126 2.141 0.610 0.606 0.918 0.624 CB 1.461 86 residues pruned to eliminate duplicates Z: 32 35.792 2.118 0.759 0.720 0.871 0.516 CA 1.625 32 residues pruned to eliminate duplicates Z: 37 33.638 2.048 0.721 0.639 0.917 0.528 CB 1.522 37 residues pruned to eliminate duplicates Z: 26 36.833 2.119 0.792 0.769 0.960 0.560 CB 1.593 26 residues pruned to eliminate duplicates Z: 25 41.266 2.154 0.812 0.796 1.000 0.542 CB 1.665 25 residues pruned to eliminate duplicates Z: 29 29.381 2.080 0.667 0.691 0.893 0.321 CB 1.505 29 residues pruned to eliminate duplicates Z: 25 38.180 2.134 0.839 0.766 0.958 0.583 CA 1.637 25 residues pruned to eliminate duplicates Z: 31 42.672 2.205 0.799 0.760 0.967 0.567 CB 1.612 31 residues pruned to eliminate duplicates Z: 25 40.966 2.161 0.824 0.807 0.958 0.500 CB 1.694 25 residues pruned to eliminate duplicates Z: 102 50.081 2.143 0.635 0.585 0.921 0.574 CB 1.424 102 residues pruned to eliminate duplicates Z: 85 46.908 2.139 0.640 0.602 0.917 0.500 CB 1.444 85 residues pruned to eliminate duplicates Z: 85 49.381 2.159 0.632 0.601 0.940 0.571 CB 1.477 85 residues pruned to eliminate duplicates Z: 37 33.267 2.162 0.611 0.717 0.917 0.639 CB 1.426 37 residues pruned to eliminate duplicates Z: 36 32.849 2.151 0.577 0.711 0.914 0.600 CB 1.478 36 residues pruned to eliminate duplicates Z: 53 39.883 2.206 0.660 0.661 0.865 0.519 CB 1.503 53 residues pruned to eliminate duplicates Z: 36 34.418 2.193 0.640 0.663 0.886 0.571 CB 1.570 36 residues pruned to eliminate duplicates Z: 42 34.966 2.093 0.787 0.623 0.927 0.610 CB 1.403 42 residues pruned to eliminate duplicates Z: 56 34.597 2.166 0.559 0.550 0.927 0.600 CB 1.419 56 residues pruned to eliminate duplicates Z: 72 33.772 2.116 0.566 0.484 0.930 0.634 CB 1.323 72 residues pruned to eliminate duplicates Z: 13 9.280 2.019 0.351 0.436 0.833 0.500 CB 1.260 13 residues pruned to eliminate duplicates Z: 37 32.993 2.272 0.605 0.557 0.972 0.500 CB 1.468 37 residues pruned to eliminate duplicates Z: 8 8.523 2.212 0.284 0.438 0.857 0.429 CB 1.411 8 residues pruned to eliminate duplicates Z: 9 7.581 2.170 0.516 0.475 0.750 0.500 CB 1.114 9 residues pruned to eliminate duplicates Z: 51 27.931 2.123 0.485 0.497 0.920 0.600 CB 1.365 51 residues pruned to eliminate duplicates Z: 51 30.962 2.129 0.616 0.510 0.920 0.500 CB 1.370 51 residues pruned to eliminate duplicates Z: 49 32.190 2.161 0.573 0.522 0.917 0.562 CB 1.459 49 residues pruned to eliminate duplicates Z: 49 33.238 2.136 0.601 0.516 0.938 0.562 CB 1.473 49 residues pruned to eliminate duplicates Z: 29 28.098 2.247 0.654 0.587 0.929 0.679 CB 1.415 29 residues pruned to eliminate duplicates Z: 45 32.546 2.192 0.587 0.548 0.932 0.591 CB 1.445 45 residues pruned to eliminate duplicates Z: 25 29.002 2.291 0.724 0.563 0.958 0.625 CB 1.471 25 residues pruned to eliminate duplicates Z: 54 30.923 2.078 0.648 0.485 0.943 0.509 CB 1.335 54 residues pruned to eliminate duplicates Z: 47 29.474 2.151 0.495 0.521 0.913 0.543 CB 1.450 47 residues pruned to eliminate duplicates Z: 48 32.112 2.167 0.597 0.495 0.936 0.489 CB 1.453 48 residues pruned to eliminate duplicates Z: 48 32.239 2.129 0.618 0.513 0.957 0.596 CB 1.408 48 residues pruned to eliminate duplicates Z: 87 47.960 2.134 0.681 0.586 0.919 0.581 CB 1.445 87 residues pruned to eliminate duplicates Z: 52 31.577 2.110 0.622 0.504 0.922 0.569 CB 1.396 52 residues pruned to eliminate duplicates Z: 50 27.195 2.112 0.566 0.530 0.898 0.490 CB 1.270 50 residues pruned to eliminate duplicates Z: 119 52.591 2.155 0.597 0.513 0.975 0.576 CB 1.426 119 residues pruned to eliminate duplicates Z: 49 33.236 2.163 0.609 0.520 0.917 0.667 CB 1.473 49 residues pruned to eliminate duplicates Z: 22 27.873 2.251 0.650 0.604 1.000 0.667 CA 1.483 22 residues pruned to eliminate duplicates Z: 50 32.221 2.126 0.600 0.482 0.939 0.571 CB 1.467 50 residues pruned to eliminate duplicates Z: 49 29.326 2.133 0.651 0.497 0.854 0.521 CB 1.412 49 residues pruned to eliminate duplicates Z: 41 28.717 2.166 0.693 0.483 0.900 0.600 CB 1.399 41 residues pruned to eliminate duplicates Z: 48 33.761 2.169 0.610 0.487 0.936 0.511 CA 1.526 48 residues pruned to eliminate duplicates Z: 45 34.051 2.172 0.635 0.518 0.955 0.477 CB 1.488 45 residues pruned to eliminate duplicates Z: 44 31.457 2.169 0.625 0.523 0.884 0.581 CB 1.506 44 residues pruned to eliminate duplicates Z: 49 32.805 2.143 0.614 0.471 0.938 0.583 CB 1.503 49 residues pruned to eliminate duplicates Z: 50 31.323 2.149 0.550 0.480 0.939 0.612 CB 1.460 50 residues pruned to eliminate duplicates Z: 41 31.090 2.152 0.665 0.461 0.950 0.600 CA 1.503 41 residues pruned to eliminate duplicates Z: 49 32.292 2.174 0.569 0.471 0.938 0.542 CB 1.501 49 residues pruned to eliminate duplicates Z: 47 30.080 2.162 0.595 0.468 0.870 0.587 CA 1.529 47 residues pruned to eliminate duplicates Z: 45 30.017 2.155 0.601 0.513 0.909 0.523 CB 1.424 45 residues pruned to eliminate duplicates Z: 49 29.198 2.152 0.534 0.458 0.917 0.625 CB 1.454 49 residues pruned to eliminate duplicates Z: 47 30.916 2.170 0.576 0.495 0.935 0.630 CB 1.434 47 residues pruned to eliminate duplicates Z: 48 33.586 2.181 0.621 0.486 0.936 0.574 CB 1.502 48 residues pruned to eliminate duplicates Z: 48 30.885 2.138 0.558 0.493 0.915 0.468 CB 1.489 48 residues pruned to eliminate duplicates Z: 85 49.822 2.162 0.665 0.553 0.952 0.500 CB 1.506 85 residues pruned to eliminate duplicates Z: 48 34.012 2.182 0.632 0.479 0.936 0.574 CB 1.519 48 residues pruned to eliminate duplicates Z: 77 41.327 2.145 0.626 0.501 0.947 0.566 CB 1.432 77 residues pruned to eliminate duplicates Z: 49 31.263 2.154 0.623 0.486 0.917 0.542 CB 1.428 49 residues pruned to eliminate duplicates Z: 120 54.059 2.172 0.586 0.553 0.924 0.630 CB 1.478 120 residues pruned to eliminate duplicates Z: 20 16.717 1.981 0.624 0.468 0.895 0.579 CB 1.376 20 residues pruned to eliminate duplicates Z: 49 32.913 2.181 0.588 0.497 0.958 0.604 CB 1.435 49 residues pruned to eliminate duplicates Z: 47 31.273 2.158 0.591 0.471 0.957 0.565 CB 1.445 47 residues pruned to eliminate duplicates Z: 75 40.209 2.116 0.636 0.571 0.932 0.662 CB 1.353 75 residues pruned to eliminate duplicates Z: 57 35.905 2.135 0.710 0.551 0.946 0.714 CB 1.321 57 residues pruned to eliminate duplicates Z: 27 18.907 2.026 0.573 0.416 0.923 0.538 CB 1.377 27 residues pruned to eliminate duplicates Z: 47 32.168 2.150 0.531 0.463 1.000 0.674 CB 1.497 47 residues pruned to eliminate duplicates Z: 20 16.572 1.975 0.458 0.492 1.000 0.737 CA 1.330 20 residues pruned to eliminate duplicates Z: 62 38.294 2.155 0.640 0.522 0.951 0.639 CB 1.428 62 residues pruned to eliminate duplicates Z: 105 51.658 2.198 0.593 0.554 0.933 0.683 CB 1.472 105 residues pruned to eliminate duplicates Z: 63 38.546 2.171 0.524 0.576 0.968 0.597 CB 1.422 63 residues pruned to eliminate duplicates Z: 80 40.846 2.167 0.628 0.502 0.937 0.646 CB 1.387 80 residues pruned to eliminate duplicates Z: 74 38.626 2.124 0.573 0.540 0.918 0.630 CB 1.417 74 residues pruned to eliminate duplicates Z: 71 40.996 2.142 0.586 0.582 0.971 0.686 CB 1.373 71 residues pruned to eliminate duplicates Z: 123 56.601 2.161 0.614 0.564 0.951 0.623 CB 1.452 123 residues pruned to eliminate duplicates Z: 105 50.131 2.158 0.583 0.533 0.962 0.606 CB 1.449 105 residues pruned to eliminate duplicates Z: 77 43.208 2.142 0.615 0.584 0.947 0.658 CB 1.395 77 residues pruned to eliminate duplicates Z: 64 43.174 2.172 0.593 0.588 0.984 0.683 CB 1.469 64 residues pruned to eliminate duplicates Z: 79 45.379 2.140 0.607 0.602 0.949 0.679 CB 1.428 79 residues pruned to eliminate duplicates Z: 107 55.362 2.196 0.604 0.583 0.972 0.726 CB 1.451 107 residues pruned to eliminate duplicates Z: 109 55.219 2.195 0.636 0.572 0.944 0.657 CB 1.461 109 residues pruned to eliminate duplicates Z: 101 51.043 2.193 0.559 0.556 0.970 0.630 CB 1.458 101 residues pruned to eliminate duplicates Z: 35 25.409 2.092 0.595 0.508 0.971 0.559 CB 1.335 35 residues pruned to eliminate duplicates Z: 63 42.813 2.204 0.596 0.598 0.984 0.645 CB 1.430 63 residues pruned to eliminate duplicates Z: 103 49.693 2.173 0.602 0.524 0.941 0.618 CB 1.466 103 residues pruned to eliminate duplicates Z: 73 37.028 2.122 0.577 0.529 0.903 0.625 CB 1.403 73 residues pruned to eliminate duplicates Z: 122 50.841 2.126 0.582 0.539 0.950 0.653 CB 1.393 122 residues pruned to eliminate duplicates Z: 83 42.098 2.106 0.601 0.577 0.915 0.671 CB 1.400 83 residues pruned to eliminate duplicates Z: 119 52.885 2.197 0.561 0.558 0.949 0.636 CB 1.414 119 residues pruned to eliminate duplicates Z: 79 47.380 2.166 0.639 0.601 0.949 0.692 CB 1.446 79 residues pruned to eliminate duplicates Z: 121 56.771 2.167 0.626 0.576 0.950 0.658 CB 1.438 121 residues pruned to eliminate duplicates Z: 63 41.698 2.168 0.615 0.573 0.984 0.629 CB 1.433 63 residues pruned to eliminate duplicates Z: 82 43.724 2.118 0.601 0.581 0.938 0.691 CB 1.413 82 residues pruned to eliminate duplicates Z: 59 39.393 2.167 0.600 0.607 0.897 0.603 CB 1.503 59 residues pruned to eliminate duplicates Z: 99 50.410 2.201 0.616 0.544 0.949 0.633 CB 1.445 99 residues pruned to eliminate duplicates Z: 107 49.619 2.193 0.535 0.559 0.943 0.642 CB 1.433 107 residues pruned to eliminate duplicates Z: 60 40.078 2.177 0.582 0.577 0.966 0.644 CB 1.455 60 residues pruned to eliminate duplicates Z: 106 49.634 2.181 0.587 0.555 0.933 0.638 CB 1.422 106 residues pruned to eliminate duplicates Z: 66 38.999 2.159 0.594 0.602 0.923 0.662 CB 1.382 66 residues pruned to eliminate duplicates Z: 82 43.665 2.172 0.638 0.501 0.963 0.605 CB 1.414 82 residues pruned to eliminate duplicates Z: 63 39.157 2.195 0.618 0.580 0.903 0.645 CB 1.436 63 residues pruned to eliminate duplicates Z: 125 54.261 2.169 0.669 0.562 0.927 0.621 CB 1.366 125 residues pruned to eliminate duplicates Z: 108 56.970 2.211 0.656 0.579 0.953 0.664 CB 1.462 108 residues pruned to eliminate duplicates Z: 110 53.027 2.186 0.618 0.575 0.936 0.679 CB 1.428 110 residues pruned to eliminate duplicates Z: 62 43.115 2.165 0.691 0.601 0.934 0.656 CB 1.466 62 residues pruned to eliminate duplicates Z: 122 58.246 2.187 0.620 0.572 0.950 0.636 CB 1.467 122 residues pruned to eliminate duplicates Z: 98 51.349 2.181 0.610 0.563 0.959 0.629 CB 1.458 98 residues pruned to eliminate duplicates Z: 88 45.108 2.131 0.627 0.528 0.954 0.632 CB 1.423 88 residues pruned to eliminate duplicates Z: 107 54.869 2.198 0.623 0.576 0.962 0.670 CB 1.443 107 residues pruned to eliminate duplicates Z: 104 51.793 2.184 0.629 0.557 0.942 0.621 CB 1.442 104 residues pruned to eliminate duplicates Z: 123 53.933 2.165 0.585 0.556 0.943 0.615 CB 1.430 123 residues pruned to eliminate duplicates Z: 122 59.010 2.183 0.686 0.573 0.926 0.727 CB 1.467 122 residues pruned to eliminate duplicates Z: 81 46.464 2.158 0.621 0.580 0.950 0.637 CB 1.448 81 residues pruned to eliminate duplicates Z: 109 49.103 2.136 0.632 0.519 0.954 0.639 CB 1.395 109 residues pruned to eliminate duplicates Z: 63 40.913 2.202 0.578 0.606 0.952 0.661 CB 1.420 63 residues pruned to eliminate duplicates Z: 10 12.571 2.206 0.526 0.585 0.778 0.667 CB 1.475 10 residues pruned to eliminate duplicates Z: 107 50.807 2.179 0.600 0.555 0.934 0.670 CB 1.437 107 residues pruned to eliminate duplicates Z: 107 52.437 2.195 0.580 0.554 0.943 0.651 CB 1.476 107 residues pruned to eliminate duplicates Z: 31 28.725 2.158 0.591 0.623 0.900 0.633 CB 1.511 31 residues pruned to eliminate duplicates Z: 90 39.680 2.071 0.667 0.564 0.899 0.663 CB 1.274 90 residues pruned to eliminate duplicates Z: 108 52.118 2.179 0.659 0.551 0.944 0.598 CB 1.405 108 residues pruned to eliminate duplicates Z: 34 34.021 2.211 0.508 0.693 0.970 0.576 CB 1.536 34 residues pruned to eliminate duplicates Z: 33 29.293 2.097 0.661 0.585 0.969 0.594 CB 1.414 33 residues pruned to eliminate duplicates Z: 109 52.032 2.191 0.632 0.542 0.944 0.620 CB 1.423 109 residues pruned to eliminate duplicates Z: 122 54.847 2.181 0.614 0.549 0.934 0.620 CB 1.445 122 residues pruned to eliminate duplicates Z: 116 50.331 2.132 0.636 0.529 0.930 0.574 CB 1.405 116 residues pruned to eliminate duplicates Z: 124 60.249 2.179 0.671 0.553 0.976 0.634 CB 1.452 124 residues pruned to eliminate duplicates Z: 49 32.829 2.124 0.642 0.593 0.875 0.583 CB 1.421 49 residues pruned to eliminate duplicates Z: 32 24.854 2.103 0.560 0.564 0.935 0.548 CB 1.367 32 residues pruned to eliminate duplicates Z: 68 36.920 2.140 0.565 0.581 0.925 0.537 CB 1.347 68 residues pruned to eliminate duplicates Z: 122 58.423 2.185 0.648 0.569 0.950 0.669 CB 1.452 122 residues pruned to eliminate duplicates Z: 124 55.428 2.175 0.618 0.569 0.943 0.626 CB 1.409 124 residues pruned to eliminate duplicates Z: 48 37.797 2.170 0.545 0.639 0.979 0.681 CB 1.475 48 residues pruned to eliminate duplicates Z: 80 44.550 2.134 0.600 0.584 0.962 0.671 CB 1.407 80 residues pruned to eliminate duplicates Z: 14 16.722 1.980 0.637 0.480 1.000 0.462 CB 1.461 14 residues pruned to eliminate duplicates Z: 123 58.884 2.184 0.642 0.552 0.967 0.639 CB 1.461 122 residues pruned to eliminate duplicates Z: 11 23.971 2.182 0.869 0.664 1.000 0.800 CB 1.596 13 residues pruned to eliminate duplicates Z: 9 18.892 2.076 0.643 0.885 1.000 0.750 CB 1.414 9 residues pruned to eliminate duplicates Z: 124 55.259 2.170 0.649 0.551 0.935 0.610 CB 1.416 124 residues pruned to eliminate duplicates Z: 34 27.025 2.110 0.624 0.546 0.939 0.576 CB 1.398 34 residues pruned to eliminate duplicates Z: 124 58.738 2.169 0.686 0.550 0.951 0.618 CB 1.449 124 residues pruned to eliminate duplicates Z: 122 59.937 2.196 0.666 0.566 0.950 0.628 CB 1.469 122 residues pruned to eliminate duplicates Z: 34 30.136 2.120 0.787 0.566 0.939 0.606 CB 1.383 33 residues pruned to eliminate duplicates Z: 10 19.728 2.061 0.611 0.744 1.000 0.444 CA 1.592 10 residues pruned to eliminate duplicates Z: 10 22.302 2.040 0.826 0.747 1.000 0.556 CA 1.601 10 residues pruned to eliminate duplicates Z: 11 17.331 2.163 0.503 0.606 1.000 0.800 CB 1.525 11 residues pruned to eliminate duplicates Z: 6 4.886 1.694 0.245 0.417 1.000 0.400 CB 1.129 6 residues pruned to eliminate duplicates Z: 11 17.289 2.166 0.448 0.613 1.000 0.900 CB 1.567 11 residues pruned to eliminate duplicates Z: 8 6.912 1.888 0.392 0.380 0.857 0.571 CB 1.318 8 residues pruned to eliminate duplicates Z: 11 17.026 2.151 0.438 0.621 1.000 0.900 CB 1.553 11 residues pruned to eliminate duplicates Z: 11 18.105 2.164 0.499 0.622 1.000 0.900 CB 1.574 11 residues pruned to eliminate duplicates Z: 11 16.231 2.177 0.517 0.624 0.900 0.900 CB 1.536 11 residues pruned to eliminate duplicates Z: 11 15.393 2.165 0.412 0.615 0.900 0.800 CB 1.586 11 residues pruned to eliminate duplicates Z: 11 17.980 2.182 0.392 0.707 1.000 0.700 CB 1.551 11 residues pruned to eliminate duplicates Z: 18 12.117 1.729 0.724 0.408 0.824 0.529 CB 1.319 7 residues pruned to eliminate duplicates Z: 6 4.598 1.379 1.511 0.462 1.000 0.800 CA 0.617 6 residues pruned to eliminate duplicates Z: 9 15.255 2.082 0.971 0.718 0.875 0.625 CB 1.234 9 residues pruned to eliminate duplicates Z: 8 16.434 2.106 0.988 0.709 0.857 0.714 CB 1.432 8 residues pruned to eliminate duplicates Z: 9 15.483 2.050 0.982 0.701 0.875 0.625 CB 1.282 9 residues pruned to eliminate duplicates Z: 9 14.875 2.035 1.021 0.627 0.875 0.625 CB 1.297 9 residues pruned to eliminate duplicates Z: 6 5.437 1.910 0.233 0.721 1.000 0.600 CB 0.846 6 residues pruned to eliminate duplicates Z: 6 5.670 1.861 0.328 0.729 1.000 0.800 CB 0.835 6 residues pruned to eliminate duplicates Z: 6 5.263 1.892 0.314 0.762 1.000 1.000 CB 0.750 6 residues pruned to eliminate duplicates Z: 14 19.741 1.742 0.863 0.855 1.000 0.692 CB 1.245 14 residues pruned to eliminate duplicates Z: 12 23.679 1.893 0.853 0.929 1.000 0.818 CB 1.424 12 residues pruned to eliminate duplicates Z: 12 24.177 1.904 1.026 0.940 1.000 0.818 CB 1.312 12 residues pruned to eliminate duplicates Z: 13 22.595 1.857 0.925 0.940 1.000 0.667 CB 1.267 13 residues pruned to eliminate duplicates Z: 13 22.632 1.864 0.946 0.929 1.000 0.583 CB 1.261 13 residues pruned to eliminate duplicates Z: 13 22.583 1.871 0.945 0.938 1.000 0.833 CB 1.246 13 residues pruned to eliminate duplicates Z: 13 23.962 1.866 1.010 0.939 1.000 0.667 CB 1.282 13 residues pruned to eliminate duplicates Z: 13 21.868 1.852 0.927 0.916 1.000 0.667 CB 1.250 13 residues pruned to eliminate duplicates Z: 18 18.716 1.795 0.646 0.876 0.941 0.588 CB 1.186 18 residues pruned to eliminate duplicates Z: 13 24.081 1.844 0.956 0.943 1.000 0.833 CB 1.335 13 residues pruned to eliminate duplicates Z: 13 22.743 1.856 0.898 0.940 1.000 0.750 CB 1.295 13 residues pruned to eliminate duplicates Z: 16 12.898 1.623 0.754 0.744 0.933 0.467 CB 1.007 16 residues pruned to eliminate duplicates Z: 17 18.270 1.857 0.344 0.849 1.000 0.688 CB 1.357 17 residues pruned to eliminate duplicates Z: 17 17.439 1.854 0.418 0.877 0.938 0.688 CB 1.284 17 residues pruned to eliminate duplicates Z: 17 18.570 1.865 0.385 0.890 1.000 0.750 CB 1.293 17 residues pruned to eliminate duplicates Z: 17 17.292 1.828 0.306 0.898 1.000 0.812 CB 1.295 17 residues pruned to eliminate duplicates Z: 16 18.812 1.952 0.374 0.824 1.000 0.533 CB 1.368 16 residues pruned to eliminate duplicates Z: 16 19.213 1.948 0.388 0.832 1.000 0.600 CB 1.377 16 residues pruned to eliminate duplicates Z: 17 19.059 1.883 0.485 0.843 0.938 0.438 CB 1.353 17 residues pruned to eliminate duplicates Z: 16 20.234 1.961 0.391 0.884 1.000 0.600 CB 1.384 16 residues pruned to eliminate duplicates Z: 17 17.203 1.875 0.482 0.825 0.875 0.562 CB 1.335 17 residues pruned to eliminate duplicates Z: 17 17.302 1.859 0.571 0.773 0.875 0.562 CB 1.330 17 residues pruned to eliminate duplicates Z: 17 19.457 1.870 0.660 0.850 0.875 0.688 CB 1.326 17 residues pruned to eliminate duplicates Z: 16 20.398 1.929 0.459 0.842 1.000 0.400 CB 1.395 16 residues pruned to eliminate duplicates Z: 17 21.112 1.865 0.625 0.877 0.938 0.625 CB 1.350 17 residues pruned to eliminate duplicates Z: 17 19.842 1.868 0.585 0.841 0.938 0.562 CB 1.333 17 residues pruned to eliminate duplicates Z: 15 18.693 1.857 0.626 0.908 0.857 0.357 CB 1.371 15 residues pruned to eliminate duplicates 7 1.472 1.329 -0.039 0.305 0.833 0.167 CB 0.701 ? Z: 8 2.323 1.725 -0.140 0.433 0.857 0.429 CB 0.740 Z: 6 3.251 1.515 0.403 0.438 1.000 0.600 CA 0.729 6 residues pruned to eliminate duplicates Z: 24 22.970 2.028 0.710 0.540 0.957 0.652 CB 1.388 25 residues pruned to eliminate duplicates Z: 8 8.126 1.813 0.517 0.582 0.857 0.286 CB 1.204 6 residues pruned to eliminate duplicates Z: 6 5.716 1.781 0.240 0.687 1.000 0.800 CB 0.975 6 residues pruned to eliminate duplicates Z: 28 16.732 1.861 0.709 0.626 0.815 0.444 CB 1.104 28 residues pruned to eliminate duplicates Z: 28 15.632 1.873 0.695 0.626 0.741 0.444 CB 1.136 28 residues pruned to eliminate duplicates Z: 30 13.934 1.809 0.601 0.566 0.759 0.379 CB 1.105 30 residues pruned to eliminate duplicates Z: 16 10.047 1.751 0.594 0.724 0.867 0.267 CB 0.876 16 residues pruned to eliminate duplicates Z: 15 10.384 1.702 0.516 0.685 1.000 0.429 CB 0.907 15 residues pruned to eliminate duplicates Z: 15 7.623 1.655 0.416 0.535 0.786 0.143 CB 1.070 15 residues pruned to eliminate duplicates Z: 18 7.568 1.671 0.554 0.619 0.647 0.235 CB 0.976 18 residues pruned to eliminate duplicates Z: 25 17.809 1.855 0.730 0.651 0.875 0.417 CB 1.124 25 residues pruned to eliminate duplicates Z: 16 9.930 1.780 0.466 0.713 0.800 0.333 CB 1.012 16 residues pruned to eliminate duplicates Z: 21 11.680 1.631 0.429 0.568 0.900 0.300 CB 1.166 21 residues pruned to eliminate duplicates Z: 16 10.783 1.689 0.607 0.720 0.933 0.400 CB 0.901 16 residues pruned to eliminate duplicates Z: 28 19.197 1.873 0.781 0.635 0.889 0.444 CB 1.098 28 residues pruned to eliminate duplicates Z: 23 13.896 1.794 0.409 0.663 0.909 0.364 CB 1.109 23 residues pruned to eliminate duplicates Z: 21 13.056 1.807 0.474 0.667 0.900 0.500 CB 1.044 21 residues pruned to eliminate duplicates Z: 29 15.450 1.816 0.441 0.614 0.821 0.393 CB 1.219 29 residues pruned to eliminate duplicates Z: 13 14.055 1.877 0.786 0.598 0.833 0.583 CA 1.323 13 residues pruned to eliminate duplicates Z: 30 17.360 1.767 0.549 0.628 0.862 0.552 CB 1.211 30 residues pruned to eliminate duplicates Z: 12 13.130 1.901 0.688 0.583 0.909 0.636 CA 1.253 12 residues pruned to eliminate duplicates Z: 11 16.379 2.003 0.851 0.529 0.900 0.500 CA 1.508 11 residues pruned to eliminate duplicates Z: 12 18.157 1.993 0.938 0.625 1.000 0.364 CA 1.260 12 residues pruned to eliminate duplicates Z: 12 13.808 1.889 0.684 0.548 0.909 0.545 CB 1.373 12 residues pruned to eliminate duplicates Z: 28 16.191 1.816 0.532 0.654 0.852 0.519 CB 1.140 28 residues pruned to eliminate duplicates Z: 21 14.375 1.863 0.541 0.606 0.750 0.500 CB 1.350 21 residues pruned to eliminate duplicates Z: 34 30.188 2.016 0.682 0.704 0.879 0.606 CB 1.465 34 residues pruned to eliminate duplicates Z: 22 12.325 1.851 0.487 0.601 0.762 0.571 CB 1.165 22 residues pruned to eliminate duplicates Z: 23 18.009 2.001 0.688 0.522 0.818 0.545 CB 1.360 23 residues pruned to eliminate duplicates Z: 23 24.576 1.995 0.593 0.770 0.909 0.727 CB 1.428 23 residues pruned to eliminate duplicates Z: 22 18.540 2.027 0.496 0.528 0.905 0.381 CB 1.435 22 residues pruned to eliminate duplicates Z: 25 18.616 1.999 0.400 0.733 0.875 0.750 CB 1.259 25 residues pruned to eliminate duplicates Z: 12 13.977 2.100 0.624 0.613 0.909 0.636 CB 1.222 12 residues pruned to eliminate duplicates Z: 23 31.304 2.110 0.644 0.849 1.000 0.818 CB 1.426 23 residues pruned to eliminate duplicates Z: 13 12.498 2.061 0.504 0.587 0.917 0.667 CB 1.167 13 residues pruned to eliminate duplicates Z: 29 24.263 1.975 0.685 0.746 0.893 0.679 CB 1.238 29 residues pruned to eliminate duplicates Z: 48 30.407 2.112 0.559 0.652 0.872 0.596 CB 1.340 48 residues pruned to eliminate duplicates Z: 36 27.566 2.113 0.672 0.709 0.914 0.657 CB 1.193 36 residues pruned to eliminate duplicates Z: 23 30.349 2.109 0.638 0.844 1.000 0.818 CB 1.393 23 residues pruned to eliminate duplicates Z: 23 28.624 2.103 0.579 0.845 1.000 0.682 CB 1.366 23 residues pruned to eliminate duplicates Z: 27 25.961 2.074 0.525 0.791 0.923 0.731 CB 1.350 27 residues pruned to eliminate duplicates Z: 24 30.346 2.072 0.806 0.808 0.957 0.565 CB 1.351 24 residues pruned to eliminate duplicates Z: 24 27.288 2.080 0.743 0.795 0.957 0.609 CB 1.268 24 residues pruned to eliminate duplicates Z: 24 32.829 2.083 0.879 0.816 1.000 0.739 CB 1.329 24 residues pruned to eliminate duplicates Z: 25 28.465 2.050 0.880 0.772 0.958 0.583 CB 1.237 25 residues pruned to eliminate duplicates Z: 24 32.855 2.077 1.009 0.815 0.957 0.652 CB 1.305 24 residues pruned to eliminate duplicates Z: 24 35.291 2.085 0.980 0.806 1.000 0.696 CB 1.365 24 residues pruned to eliminate duplicates Z: 25 29.629 2.019 0.987 0.766 1.000 0.500 CB 1.191 25 residues pruned to eliminate duplicates Z: 56 36.819 2.126 0.673 0.692 0.945 0.582 CB 1.239 56 residues pruned to eliminate duplicates Z: 30 24.886 2.021 0.775 0.695 0.931 0.586 CB 1.158 30 residues pruned to eliminate duplicates Z: 36 23.959 2.069 0.582 0.694 0.914 0.571 CB 1.134 36 residues pruned to eliminate duplicates Z: 7 5.208 1.924 0.653 0.515 1.000 0.667 CB 0.659 7 residues pruned to eliminate duplicates Z: 30 24.716 2.008 0.815 0.724 0.931 0.586 CB 1.105 30 residues pruned to eliminate duplicates Z: 33 29.408 2.196 0.688 0.682 0.938 0.625 CB 1.266 33 residues pruned to eliminate duplicates Z: 31 28.676 2.025 0.905 0.737 0.933 0.400 CB 1.176 31 residues pruned to eliminate duplicates Z: 61 40.887 2.151 0.734 0.689 0.917 0.567 CB 1.299 61 residues pruned to eliminate duplicates Z: 133 57.104 2.170 0.580 0.616 0.932 0.515 CB 1.394 133 residues pruned to eliminate duplicates Z: 69 46.004 2.183 0.666 0.578 0.941 0.559 CB 1.512 69 residues pruned to eliminate duplicates Z: 34 26.219 2.188 0.612 0.630 0.909 0.788 CB 1.259 34 residues pruned to eliminate duplicates Z: 32 30.909 2.135 0.859 0.731 0.935 0.516 CB 1.214 32 residues pruned to eliminate duplicates Z: 22 20.319 2.154 0.678 0.614 0.857 0.571 CB 1.284 22 residues pruned to eliminate duplicates Z: 109 51.883 2.183 0.563 0.586 0.972 0.537 CB 1.387 109 residues pruned to eliminate duplicates Z: 90 50.396 2.196 0.562 0.549 0.966 0.584 CB 1.537 90 residues pruned to eliminate duplicates Z: 45 36.788 2.204 0.689 0.556 0.909 0.477 CA 1.552 45 residues pruned to eliminate duplicates Z: 31 26.992 2.244 0.567 0.632 0.900 0.567 CB 1.376 31 residues pruned to eliminate duplicates Z: 102 52.014 2.196 0.558 0.583 0.950 0.594 CB 1.469 102 residues pruned to eliminate duplicates Z: 101 47.418 2.159 0.535 0.572 0.940 0.550 CB 1.420 101 residues pruned to eliminate duplicates Z: 23 27.276 2.231 0.583 0.629 1.000 0.636 CB 1.458 23 residues pruned to eliminate duplicates Z: 20 31.652 2.319 0.692 0.701 1.000 0.632 CB 1.541 20 residues pruned to eliminate duplicates Z: 58 38.169 2.211 0.599 0.563 0.930 0.544 CB 1.447 58 residues pruned to eliminate duplicates Z: 121 55.128 2.149 0.582 0.568 0.983 0.583 CB 1.410 121 residues pruned to eliminate duplicates Z: 94 49.009 2.181 0.549 0.599 0.946 0.634 CB 1.447 94 residues pruned to eliminate duplicates Z: 122 56.636 2.174 0.592 0.578 0.967 0.545 CB 1.427 122 residues pruned to eliminate duplicates Z: 101 52.276 2.186 0.638 0.574 0.930 0.610 CB 1.461 101 residues pruned to eliminate duplicates Z: 126 54.310 2.166 0.587 0.581 0.928 0.568 CB 1.409 126 residues pruned to eliminate duplicates Z: 49 39.782 2.208 0.617 0.572 0.958 0.688 CB 1.566 49 residues pruned to eliminate duplicates Z: 21 30.288 2.283 0.865 0.600 1.000 0.400 CA 1.446 21 residues pruned to eliminate duplicates Z: 122 52.652 2.148 0.578 0.562 0.934 0.587 CB 1.424 122 residues pruned to eliminate duplicates Z: 36 27.722 2.139 0.644 0.494 0.914 0.486 CA 1.467 36 residues pruned to eliminate duplicates Z: 117 52.506 2.175 0.595 0.576 0.940 0.569 CB 1.391 117 residues pruned to eliminate duplicates Z: 104 54.431 2.189 0.613 0.567 0.961 0.476 CB 1.481 104 residues pruned to eliminate duplicates Z: 68 48.499 2.220 0.648 0.561 0.985 0.582 CB 1.549 68 residues pruned to eliminate duplicates Z: 82 48.813 2.198 0.602 0.552 0.951 0.642 CB 1.539 82 residues pruned to eliminate duplicates Z: 46 30.182 2.155 0.521 0.480 0.911 0.578 CB 1.537 46 residues pruned to eliminate duplicates Z: 91 53.293 2.206 0.622 0.564 0.967 0.533 CB 1.527 91 residues pruned to eliminate duplicates Z: 103 50.224 2.189 0.554 0.552 0.961 0.510 CB 1.448 103 residues pruned to eliminate duplicates Z: 72 41.251 2.139 0.556 0.540 0.944 0.507 CB 1.498 72 residues pruned to eliminate duplicates Z: 46 38.332 2.229 0.702 0.537 0.978 0.556 CA 1.485 46 residues pruned to eliminate duplicates Z: 57 43.832 2.215 0.588 0.588 0.964 0.536 CB 1.587 57 residues pruned to eliminate duplicates Z: 65 43.800 2.210 0.628 0.543 0.938 0.547 CB 1.557 65 residues pruned to eliminate duplicates Z: 47 38.769 2.236 0.610 0.531 1.000 0.587 CA 1.541 47 residues pruned to eliminate duplicates Z: 51 37.193 2.190 0.630 0.512 0.940 0.520 CB 1.548 51 residues pruned to eliminate duplicates Z: 45 26.147 2.076 0.511 0.460 0.864 0.545 CA 1.515 45 residues pruned to eliminate duplicates Z: 26 23.397 2.196 0.459 0.498 0.920 0.560 CA 1.591 26 residues pruned to eliminate duplicates Z: 47 38.967 2.233 0.755 0.552 0.913 0.652 CA 1.526 47 residues pruned to eliminate duplicates Z: 43 24.408 2.084 0.504 0.408 0.929 0.524 CA 1.426 43 residues pruned to eliminate duplicates Z: 94 52.676 2.221 0.599 0.587 0.968 0.613 CB 1.463 94 residues pruned to eliminate duplicates Z: 51 32.317 2.154 0.617 0.500 0.900 0.500 CA 1.457 51 residues pruned to eliminate duplicates Z: 90 54.174 2.190 0.643 0.554 0.989 0.607 CB 1.531 90 residues pruned to eliminate duplicates Z: 47 41.332 2.221 0.771 0.530 0.978 0.500 CA 1.537 47 residues pruned to eliminate duplicates Z: 92 48.487 2.172 0.616 0.544 0.945 0.527 CB 1.468 92 residues pruned to eliminate duplicates Z: 109 49.129 2.183 0.534 0.563 0.944 0.556 CB 1.406 109 residues pruned to eliminate duplicates Z: 92 51.924 2.185 0.587 0.576 0.967 0.582 CB 1.509 92 residues pruned to eliminate duplicates Z: 50 40.991 2.225 0.645 0.558 1.000 0.694 CA 1.513 50 residues pruned to eliminate duplicates Z: 111 50.120 2.191 0.508 0.574 0.955 0.600 CB 1.411 111 residues pruned to eliminate duplicates Z: 93 51.623 2.201 0.617 0.566 0.957 0.598 CB 1.483 93 residues pruned to eliminate duplicates Z: 91 55.849 2.194 0.681 0.585 0.967 0.589 CB 1.523 91 residues pruned to eliminate duplicates Z: 105 51.718 2.183 0.620 0.570 0.923 0.519 CB 1.451 105 residues pruned to eliminate duplicates Z: 80 38.570 2.099 0.575 0.585 0.937 0.557 CB 1.292 80 residues pruned to eliminate duplicates Z: 107 53.461 2.171 0.685 0.580 0.934 0.528 CB 1.407 107 residues pruned to eliminate duplicates Z: 107 54.168 2.194 0.589 0.572 0.981 0.566 CB 1.435 107 residues pruned to eliminate duplicates Z: 107 57.086 2.191 0.681 0.575 0.972 0.538 CB 1.441 107 residues pruned to eliminate duplicates Z: 52 31.027 2.102 0.584 0.547 0.941 0.549 CB 1.323 52 residues pruned to eliminate duplicates Z: 64 36.540 2.163 0.615 0.488 0.921 0.413 CB 1.449 64 residues pruned to eliminate duplicates Z: 98 47.349 2.156 0.594 0.554 0.969 0.629 CB 1.369 98 residues pruned to eliminate duplicates Z: 22 19.079 2.048 0.478 0.491 1.000 0.619 CB 1.388 22 residues pruned to eliminate duplicates Z: 103 46.629 2.158 0.576 0.542 0.941 0.588 CB 1.384 103 residues pruned to eliminate duplicates Z: 59 35.207 2.123 0.542 0.565 0.966 0.621 CB 1.373 59 residues pruned to eliminate duplicates Z: 62 39.161 2.158 0.585 0.615 0.984 0.607 CB 1.337 62 residues pruned to eliminate duplicates Z: 62 35.363 2.155 0.516 0.603 0.951 0.639 CB 1.321 62 residues pruned to eliminate duplicates Z: 48 33.845 2.141 0.522 0.600 0.979 0.638 CB 1.407 48 residues pruned to eliminate duplicates Z: 53 36.280 2.160 0.552 0.600 1.000 0.654 CB 1.364 53 residues pruned to eliminate duplicates Z: 124 51.203 2.150 0.597 0.560 0.927 0.602 CB 1.368 124 residues pruned to eliminate duplicates Z: 23 20.816 2.041 0.504 0.518 0.955 0.545 CB 1.487 23 residues pruned to eliminate duplicates Z: 59 36.704 2.144 0.551 0.603 1.000 0.621 CB 1.314 59 residues pruned to eliminate duplicates Z: 90 60.728 2.219 0.774 0.589 0.989 0.629 CB 1.519 90 residues pruned to eliminate duplicates Z: 48 33.610 2.133 0.595 0.594 0.936 0.660 CB 1.407 48 residues pruned to eliminate duplicates Z: 46 35.949 2.177 0.572 0.636 0.978 0.711 CB 1.409 46 residues pruned to eliminate duplicates Z: 62 36.769 2.134 0.561 0.604 0.967 0.525 CB 1.324 62 residues pruned to eliminate duplicates Z: 92 53.952 2.165 0.657 0.581 0.956 0.648 CB 1.525 92 residues pruned to eliminate duplicates Z: 91 56.823 2.208 0.735 0.569 0.944 0.611 CB 1.548 91 residues pruned to eliminate duplicates Z: 50 33.948 2.122 0.576 0.602 0.959 0.612 CB 1.372 50 residues pruned to eliminate duplicates Z: 48 34.199 2.142 0.644 0.592 0.915 0.681 CB 1.418 48 residues pruned to eliminate duplicates Z: 103 54.233 2.195 0.650 0.592 0.941 0.716 CB 1.442 103 residues pruned to eliminate duplicates Z: 61 38.973 2.130 0.655 0.584 0.950 0.550 CB 1.386 61 residues pruned to eliminate duplicates Z: 54 37.912 2.167 0.577 0.646 0.962 0.698 CB 1.382 54 residues pruned to eliminate duplicates Z: 63 40.457 2.143 0.648 0.636 0.968 0.661 CB 1.322 63 residues pruned to eliminate duplicates Z: 89 51.579 2.173 0.679 0.557 0.966 0.636 CB 1.475 89 residues pruned to eliminate duplicates Z: 27 18.354 2.015 0.501 0.626 0.962 0.538 CB 1.099 27 residues pruned to eliminate duplicates Z: 90 59.270 2.202 0.765 0.594 0.966 0.674 CB 1.529 90 residues pruned to eliminate duplicates Z: 124 54.850 2.159 0.611 0.590 0.959 0.634 CB 1.359 124 residues pruned to eliminate duplicates Z: 60 31.860 2.124 0.505 0.586 0.932 0.627 CB 1.282 60 residues pruned to eliminate duplicates Z: 47 36.102 2.137 0.640 0.623 0.957 0.696 CB 1.414 47 residues pruned to eliminate duplicates Z: 65 36.847 2.124 0.540 0.620 0.984 0.641 CB 1.278 65 residues pruned to eliminate duplicates Z: 106 56.435 2.188 0.679 0.585 0.952 0.552 CB 1.452 106 residues pruned to eliminate duplicates Z: 59 36.288 2.137 0.647 0.608 0.931 0.638 CB 1.312 59 residues pruned to eliminate duplicates Z: 90 57.853 2.211 0.745 0.583 0.966 0.596 CB 1.518 90 residues pruned to eliminate duplicates Z: 109 53.403 2.171 0.578 0.594 0.972 0.611 CB 1.410 109 residues pruned to eliminate duplicates Z: 109 55.042 2.202 0.619 0.587 0.963 0.620 CB 1.419 109 residues pruned to eliminate duplicates Z: 61 40.543 2.161 0.668 0.630 0.950 0.633 CB 1.352 61 residues pruned to eliminate duplicates Z: 60 33.686 2.094 0.599 0.629 0.966 0.576 CB 1.202 60 residues pruned to eliminate duplicates Z: 61 37.266 2.149 0.581 0.605 0.950 0.667 CB 1.350 61 residues pruned to eliminate duplicates Z: 125 51.815 2.167 0.541 0.578 0.927 0.653 CB 1.394 125 residues pruned to eliminate duplicates Z: 109 53.338 2.168 0.649 0.584 0.954 0.556 CB 1.389 109 residues pruned to eliminate duplicates Z: 103 52.481 2.190 0.599 0.573 0.971 0.588 CB 1.424 103 residues pruned to eliminate duplicates Z: 25 12.692 1.911 0.371 0.555 0.875 0.375 CB 1.072 25 residues pruned to eliminate duplicates Z: 77 41.735 2.093 0.701 0.583 0.947 0.566 CB 1.311 77 residues pruned to eliminate duplicates Z: 6 4.201 1.467 0.548 0.256 1.000 0.400 CA 1.093 6 residues pruned to eliminate duplicates Z: 79 39.544 2.104 0.546 0.605 0.962 0.628 CB 1.296 79 residues pruned to eliminate duplicates Z: 106 59.480 2.204 0.688 0.585 1.000 0.600 CB 1.439 106 residues pruned to eliminate duplicates Z: 27 12.021 1.947 0.273 0.543 0.885 0.500 CB 1.031 27 residues pruned to eliminate duplicates Z: 26 15.221 1.951 0.320 0.598 1.000 0.640 CB 1.077 26 residues pruned to eliminate duplicates Z: 68 36.577 2.107 0.650 0.615 0.925 0.522 CB 1.246 68 residues pruned to eliminate duplicates Z: 158 64.739 2.121 0.701 0.616 0.949 0.592 CB 1.352 158 residues pruned to eliminate duplicates Z: 53 27.243 2.024 0.485 0.528 0.962 0.481 CB 1.272 53 residues pruned to eliminate duplicates Z: 54 30.595 2.036 0.542 0.559 0.943 0.585 CB 1.340 54 residues pruned to eliminate duplicates Z: 103 44.896 2.093 0.626 0.559 0.912 0.549 CB 1.353 103 residues pruned to eliminate duplicates Z: 77 42.098 2.122 0.608 0.596 0.987 0.605 CB 1.308 76 residues pruned to eliminate duplicates Z: 13 11.092 1.948 0.554 0.642 1.000 0.667 CB 0.926 13 residues pruned to eliminate duplicates Z: 27 16.798 1.960 0.469 0.576 1.000 0.615 CB 1.063 27 residues pruned to eliminate duplicates Z: 11 13.841 2.100 0.581 0.636 0.900 0.800 CB 1.289 12 residues pruned to eliminate duplicates Z: 12 11.666 1.974 0.575 0.606 0.818 0.727 CB 1.250 12 residues pruned to eliminate duplicates Z: 35 22.149 2.008 0.603 0.571 0.941 0.676 CB 1.170 35 residues pruned to eliminate duplicates Z: 25 19.920 2.012 0.683 0.597 0.917 0.500 CB 1.195 24 residues pruned to eliminate duplicates Z: 9 20.880 1.996 0.957 0.903 1.000 0.750 CB 1.347 9 residues pruned to eliminate duplicates Z: 24 16.876 2.019 0.602 0.591 0.870 0.565 CB 1.146 25 residues pruned to eliminate duplicates Z: 10 20.956 1.939 1.000 0.834 1.000 0.778 CB 1.350 10 residues pruned to eliminate duplicates Z: 26 16.064 1.811 0.513 0.613 0.880 0.600 CB 1.197 27 residues pruned to eliminate duplicates Z: 6 2.565 1.113 1.375 0.397 1.000 0.400 CB 0.484 6 residues pruned to eliminate duplicates Z: 27 17.537 1.807 0.613 0.602 0.885 0.346 CB 1.210 26 residues pruned to eliminate duplicates Z: 6 2.664 1.500 0.672 0.139 0.800 0.000 CA 0.930 6 residues pruned to eliminate duplicates Z: 13 9.295 1.793 0.574 0.533 0.750 0.500 CA 1.227 13 residues pruned to eliminate duplicates Z: 12 14.829 1.878 0.765 0.653 1.000 0.818 CB 1.170 13 residues pruned to eliminate duplicates Z: 21 30.169 2.094 0.738 0.844 1.000 0.700 CB 1.379 21 residues pruned to eliminate duplicates Z: 24 26.703 2.075 0.479 0.791 0.957 0.783 CB 1.469 24 residues pruned to eliminate duplicates Z: 100 52.714 2.164 0.536 0.611 0.949 0.606 CB 1.510 100 residues pruned to eliminate duplicates Z: 24 29.230 2.097 0.707 0.805 0.957 0.739 CB 1.364 24 residues pruned to eliminate duplicates Z: 58 38.105 2.155 0.540 0.685 0.947 0.684 CB 1.355 58 residues pruned to eliminate duplicates Z: 25 29.069 2.081 0.818 0.766 0.917 0.750 CB 1.352 25 residues pruned to eliminate duplicates Z: 29 29.874 2.079 0.791 0.748 0.857 0.679 CB 1.417 29 residues pruned to eliminate duplicates Z: 30 32.607 2.109 0.860 0.696 0.931 0.655 CB 1.386 30 residues pruned to eliminate duplicates Z: 23 29.474 2.116 0.753 0.791 0.909 0.682 CB 1.444 23 residues pruned to eliminate duplicates Z: 35 28.591 2.151 0.645 0.722 0.853 0.618 CB 1.330 35 residues pruned to eliminate duplicates Z: 81 47.096 2.167 0.582 0.624 0.963 0.600 CB 1.419 81 residues pruned to eliminate duplicates Z: 142 63.303 2.162 0.590 0.620 0.965 0.582 CB 1.436 150 residues pruned to eliminate duplicates Z: 20 38.525 2.108 1.063 0.933 0.947 0.474 CB 1.497 22 residues pruned to eliminate duplicates Z: 21 34.756 2.062 0.875 0.929 1.000 0.750 CB 1.406 21 residues pruned to eliminate duplicates Z: 67 46.445 2.187 0.722 0.601 0.924 0.515 CB 1.491 66 residues pruned to eliminate duplicates Z: 21 35.771 2.059 0.964 0.936 1.000 0.700 CB 1.378 21 residues pruned to eliminate duplicates Z: 21 32.774 2.082 0.883 0.883 0.950 0.550 CB 1.423 22 residues pruned to eliminate duplicates Z: 20 38.592 2.151 0.912 0.921 1.000 0.368 CB 1.515 20 residues pruned to eliminate duplicates Z: 29 33.978 2.085 0.979 0.735 0.893 0.536 CB 1.411 29 residues pruned to eliminate duplicates Z: 23 32.926 2.115 0.901 0.820 0.955 0.500 CB 1.386 23 residues pruned to eliminate duplicates Z: 82 53.161 2.191 0.679 0.633 0.926 0.568 CB 1.530 80 residues pruned to eliminate duplicates Z: 6 4.867 1.250 0.940 0.492 1.000 0.600 C 0.904 6 residues pruned to eliminate duplicates Z: 60 37.988 2.161 0.549 0.561 0.949 0.508 CB 1.467 60 residues pruned to eliminate duplicates Z: 104 50.791 2.189 0.537 0.583 0.942 0.602 CB 1.458 104 residues pruned to eliminate duplicates Z: 62 35.766 2.148 0.442 0.546 0.934 0.525 CA 1.512 62 residues pruned to eliminate duplicates Z: 59 45.741 2.178 0.673 0.686 0.966 0.586 CB 1.439 59 residues pruned to eliminate duplicates Z: 31 23.939 2.216 0.341 0.664 0.933 0.733 CB 1.354 31 residues pruned to eliminate duplicates Z: 132 60.321 2.165 0.622 0.600 0.954 0.618 CB 1.430 132 residues pruned to eliminate duplicates Z: 53 39.194 2.170 0.630 0.710 0.923 0.615 CB 1.376 53 residues pruned to eliminate duplicates Z: 91 50.894 2.207 0.561 0.578 0.944 0.644 CB 1.530 91 residues pruned to eliminate duplicates Z: 45 39.022 2.245 0.557 0.573 0.977 0.545 CA 1.605 45 residues pruned to eliminate duplicates Z: 27 29.773 2.267 0.725 0.598 0.923 0.500 CA 1.473 27 residues pruned to eliminate duplicates Z: 34 24.389 2.184 0.489 0.645 0.879 0.606 CB 1.298 34 residues pruned to eliminate duplicates Z: 49 40.097 2.210 0.613 0.556 1.000 0.479 CA 1.537 49 residues pruned to eliminate duplicates Z: 30 23.732 2.190 0.410 0.662 0.931 0.552 CB 1.320 30 residues pruned to eliminate duplicates Z: 152 61.847 2.092 0.680 0.613 0.947 0.543 CB 1.359 150 residues pruned to eliminate duplicates Z: 13 21.161 2.262 0.514 0.741 1.000 0.833 CA 1.437 13 residues pruned to eliminate duplicates Z: 22 22.751 2.219 0.553 0.609 0.905 0.571 CA 1.435 22 residues pruned to eliminate duplicates Z: 19 24.300 2.257 0.431 0.695 1.000 0.500 CA 1.484 19 residues pruned to eliminate duplicates Z: 92 48.673 2.191 0.539 0.571 0.934 0.505 CB 1.512 92 residues pruned to eliminate duplicates Z: 93 53.004 2.210 0.620 0.598 0.957 0.543 CB 1.470 93 residues pruned to eliminate duplicates Z: 49 36.698 2.203 0.552 0.544 0.938 0.521 CA 1.584 49 residues pruned to eliminate duplicates Z: 45 33.169 2.205 0.583 0.516 0.909 0.455 CA 1.551 45 residues pruned to eliminate duplicates Z: 22 21.935 2.212 0.409 0.647 0.905 0.524 CA 1.480 22 residues pruned to eliminate duplicates Z: 92 50.973 2.211 0.564 0.577 0.945 0.582 CB 1.519 92 residues pruned to eliminate duplicates Z: 77 48.868 2.196 0.618 0.595 0.947 0.579 CB 1.522 77 residues pruned to eliminate duplicates Z: 61 41.371 2.197 0.585 0.533 0.950 0.517 CA 1.564 61 residues pruned to eliminate duplicates Z: 47 36.997 2.238 0.569 0.540 0.978 0.522 CA 1.527 47 residues pruned to eliminate duplicates Z: 123 54.880 2.145 0.601 0.564 0.951 0.566 CB 1.429 123 residues pruned to eliminate duplicates Z: 65 40.523 2.198 0.544 0.530 0.922 0.516 CB 1.571 65 residues pruned to eliminate duplicates Z: 66 43.223 2.204 0.623 0.541 0.938 0.569 CB 1.535 66 residues pruned to eliminate duplicates Z: 161 59.692 2.083 0.653 0.595 0.944 0.600 CB 1.326 161 residues pruned to eliminate duplicates Z: 47 37.927 2.248 0.676 0.561 0.913 0.543 CA 1.533 47 residues pruned to eliminate duplicates Z: 31 23.045 2.025 0.654 0.401 0.967 0.467 CA 1.441 31 residues pruned to eliminate duplicates Z: 107 53.421 2.173 0.640 0.554 0.953 0.585 CB 1.450 107 residues pruned to eliminate duplicates Z: 48 34.377 2.209 0.591 0.518 0.957 0.511 CA 1.463 48 residues pruned to eliminate duplicates Z: 74 41.312 2.141 0.554 0.544 0.945 0.521 CB 1.474 74 residues pruned to eliminate duplicates Z: 92 49.887 2.195 0.563 0.551 0.956 0.538 CB 1.517 92 residues pruned to eliminate duplicates Z: 123 51.408 2.165 0.574 0.563 0.918 0.541 CB 1.399 123 residues pruned to eliminate duplicates Z: 94 54.576 2.185 0.666 0.559 0.968 0.581 CB 1.517 94 residues pruned to eliminate duplicates Z: 65 39.445 2.172 0.601 0.501 0.938 0.609 CA 1.510 65 residues pruned to eliminate duplicates Z: 128 61.292 2.174 0.689 0.617 0.921 0.575 CB 1.439 128 residues pruned to eliminate duplicates Z: 92 53.620 2.204 0.610 0.574 0.956 0.615 CB 1.542 92 residues pruned to eliminate duplicates Z: 91 55.257 2.205 0.695 0.572 0.956 0.611 CB 1.522 91 residues pruned to eliminate duplicates Z: 66 41.084 2.192 0.552 0.518 0.954 0.554 CA 1.543 66 residues pruned to eliminate duplicates Z: 48 39.431 2.230 0.674 0.539 0.979 0.511 CA 1.515 48 residues pruned to eliminate duplicates Z: 94 54.266 2.193 0.656 0.587 0.957 0.591 CB 1.489 94 residues pruned to eliminate duplicates Z: 108 53.649 2.181 0.626 0.559 0.944 0.570 CB 1.463 108 residues pruned to eliminate duplicates Z: 108 55.634 2.165 0.671 0.568 0.963 0.570 CB 1.446 108 residues pruned to eliminate duplicates Z: 70 44.239 2.167 0.607 0.561 0.971 0.623 CB 1.484 70 residues pruned to eliminate duplicates Z: 81 49.022 2.184 0.631 0.561 0.963 0.550 CB 1.507 81 residues pruned to eliminate duplicates Z: 65 37.468 2.129 0.556 0.543 0.906 0.609 CB 1.496 65 residues pruned to eliminate duplicates Z: 123 54.284 2.145 0.616 0.560 0.934 0.549 CB 1.432 123 residues pruned to eliminate duplicates Z: 142 64.855 2.168 0.657 0.602 0.979 0.603 CB 1.411 142 residues pruned to eliminate duplicates Z: 92 53.650 2.202 0.637 0.574 0.967 0.659 CB 1.503 92 residues pruned to eliminate duplicates Z: 47 36.364 2.161 0.670 0.471 0.978 0.674 CB 1.564 47 residues pruned to eliminate duplicates Z: 110 50.847 2.180 0.568 0.568 0.963 0.578 CB 1.385 110 residues pruned to eliminate duplicates Z: 30 28.421 2.173 0.597 0.503 1.000 0.621 CB 1.516 30 residues pruned to eliminate duplicates Z: 79 40.147 2.108 0.586 0.591 0.949 0.526 CB 1.314 79 residues pruned to eliminate duplicates Z: 48 34.749 2.128 0.609 0.612 0.957 0.660 CB 1.391 48 residues pruned to eliminate duplicates Z: 78 40.263 2.107 0.591 0.584 0.974 0.545 CB 1.296 78 residues pruned to eliminate duplicates Z: 20 20.387 2.135 0.468 0.486 1.000 0.632 CB 1.513 20 residues pruned to eliminate duplicates Z: 20 19.642 2.036 0.541 0.470 0.947 0.579 CB 1.563 20 residues pruned to eliminate duplicates Z: 91 53.521 2.197 0.711 0.549 0.944 0.678 CB 1.516 91 residues pruned to eliminate duplicates Z: 109 54.616 2.181 0.657 0.572 0.954 0.630 CB 1.423 109 residues pruned to eliminate duplicates Z: 56 37.831 2.166 0.646 0.592 0.945 0.618 CB 1.387 56 residues pruned to eliminate duplicates Z: 157 65.715 2.144 0.682 0.607 0.942 0.571 CB 1.398 156 residues pruned to eliminate duplicates Z: 6 6.460 2.051 0.547 0.381 0.800 0.400 CA 1.292 6 residues pruned to eliminate duplicates Z: 91 47.870 2.148 0.588 0.560 0.956 0.622 CB 1.460 91 residues pruned to eliminate duplicates Z: 46 38.442 2.179 0.654 0.626 0.978 0.667 CB 1.444 46 residues pruned to eliminate duplicates Z: 69 42.732 2.174 0.617 0.565 0.956 0.662 CB 1.448 69 residues pruned to eliminate duplicates Z: 143 60.435 2.156 0.621 0.595 0.958 0.599 CB 1.384 143 residues pruned to eliminate duplicates Z: 123 51.625 2.138 0.597 0.562 0.918 0.598 CB 1.403 123 residues pruned to eliminate duplicates Z: 63 38.929 2.105 0.619 0.605 0.968 0.645 CB 1.356 63 residues pruned to eliminate duplicates Z: 46 39.113 2.185 0.685 0.631 0.978 0.644 CB 1.432 46 residues pruned to eliminate duplicates Z: 91 52.090 2.203 0.644 0.578 0.922 0.656 CB 1.526 91 residues pruned to eliminate duplicates Z: 47 35.196 2.148 0.649 0.597 0.957 0.652 CB 1.396 47 residues pruned to eliminate duplicates Z: 74 42.759 2.134 0.695 0.541 0.918 0.658 CB 1.449 74 residues pruned to eliminate duplicates Z: 27 25.818 2.045 0.749 0.640 0.923 0.615 CB 1.346 27 residues pruned to eliminate duplicates Z: 48 31.969 2.096 0.633 0.605 0.894 0.702 CB 1.379 48 residues pruned to eliminate duplicates Z: 46 26.558 2.107 0.529 0.592 0.889 0.511 CB 1.266 46 residues pruned to eliminate duplicates Z: 108 53.304 2.172 0.673 0.543 0.953 0.523 CB 1.427 108 residues pruned to eliminate duplicates Z: 89 46.333 2.148 0.653 0.556 0.943 0.614 CB 1.397 89 residues pruned to eliminate duplicates Z: 141 65.934 2.162 0.706 0.614 0.957 0.593 CB 1.416 141 residues pruned to eliminate duplicates Z: 80 39.699 2.086 0.634 0.595 0.962 0.633 CB 1.244 80 residues pruned to eliminate duplicates Z: 63 34.728 2.114 0.655 0.594 0.903 0.661 CB 1.275 63 residues pruned to eliminate duplicates Z: 63 41.248 2.131 0.739 0.612 0.952 0.645 CB 1.336 63 residues pruned to eliminate duplicates Z: 126 63.455 2.186 0.703 0.614 0.944 0.608 CB 1.449 126 residues pruned to eliminate duplicates Z: 27 24.277 2.041 0.649 0.575 0.962 0.577 CB 1.369 27 residues pruned to eliminate duplicates Z: 48 36.225 2.129 0.675 0.619 0.979 0.681 CB 1.353 48 residues pruned to eliminate duplicates Z: 46 37.749 2.162 0.716 0.634 0.956 0.644 CB 1.400 46 residues pruned to eliminate duplicates Z: 111 52.704 2.173 0.600 0.588 0.945 0.609 CB 1.405 111 residues pruned to eliminate duplicates Z: 58 41.062 2.150 0.693 0.578 0.947 0.561 CB 1.463 58 residues pruned to eliminate duplicates Z: 47 35.194 2.149 0.662 0.636 0.957 0.674 CB 1.337 47 residues pruned to eliminate duplicates Z: 46 35.761 2.160 0.705 0.588 0.933 0.667 CB 1.425 46 residues pruned to eliminate duplicates Z: 107 57.834 2.186 0.711 0.574 0.962 0.594 CB 1.454 107 residues pruned to eliminate duplicates Z: 65 40.972 2.110 0.711 0.597 0.969 0.594 CB 1.335 65 residues pruned to eliminate duplicates Z: 62 38.040 2.138 0.651 0.598 0.951 0.557 CB 1.321 62 residues pruned to eliminate duplicates Z: 107 55.500 2.197 0.611 0.588 0.953 0.594 CB 1.469 107 residues pruned to eliminate duplicates Z: 80 40.346 2.080 0.630 0.592 0.949 0.595 CB 1.291 80 residues pruned to eliminate duplicates Z: 19 14.838 2.092 0.364 0.544 0.944 0.500 CB 1.243 19 residues pruned to eliminate duplicates Z: 11 9.813 1.952 0.707 0.459 0.800 0.400 CA 1.214 11 residues pruned to eliminate duplicates Z: 122 56.573 2.147 0.710 0.559 0.934 0.603 CB 1.417 122 residues pruned to eliminate duplicates Z: 62 37.874 2.142 0.637 0.594 0.934 0.623 CB 1.352 62 residues pruned to eliminate duplicates Z: 121 57.133 2.157 0.601 0.579 0.967 0.633 CB 1.449 122 residues pruned to eliminate duplicates Z: 6 3.966 1.657 0.107 0.211 1.000 0.800 C 1.361 6 residues pruned to eliminate duplicates Z: 26 16.854 2.021 0.451 0.571 0.880 0.480 CB 1.220 26 residues pruned to eliminate duplicates Z: 25 15.138 1.986 0.514 0.556 0.833 0.458 CB 1.168 25 residues pruned to eliminate duplicates Z: 125 56.171 2.154 0.627 0.578 0.968 0.621 CB 1.380 125 residues pruned to eliminate duplicates Z: 59 35.932 2.085 0.615 0.637 0.948 0.552 CB 1.299 59 residues pruned to eliminate duplicates Z: 79 43.331 2.088 0.684 0.609 0.949 0.564 CB 1.327 79 residues pruned to eliminate duplicates Z: 102 48.528 2.124 0.609 0.562 0.950 0.574 CB 1.400 102 residues pruned to eliminate duplicates Z: 24 19.471 2.049 0.543 0.588 0.957 0.522 CB 1.234 24 residues pruned to eliminate duplicates Z: 79 40.938 2.096 0.645 0.591 0.962 0.603 CB 1.282 79 residues pruned to eliminate duplicates Z: 55 30.161 2.006 0.651 0.563 0.944 0.611 CB 1.235 55 residues pruned to eliminate duplicates Z: 55 30.642 2.027 0.653 0.561 0.926 0.574 CB 1.267 55 residues pruned to eliminate duplicates Z: 24 19.435 2.040 0.493 0.610 1.000 0.696 CB 1.200 24 residues pruned to eliminate duplicates Z: 47 26.082 2.059 0.476 0.666 0.957 0.522 CB 1.134 47 residues pruned to eliminate duplicates Z: 77 42.307 2.108 0.597 0.609 0.974 0.645 CB 1.335 77 residues pruned to eliminate duplicates Z: 27 15.599 1.929 0.507 0.548 0.923 0.731 CB 1.088 27 residues pruned to eliminate duplicates Z: 25 19.106 2.013 0.569 0.576 1.000 0.583 CB 1.147 25 residues pruned to eliminate duplicates Z: 9 11.567 1.948 0.566 0.766 0.875 0.625 CA 1.211 9 residues pruned to eliminate duplicates Z: 27 18.228 1.927 0.621 0.565 0.962 0.692 CB 1.117 27 residues pruned to eliminate duplicates Z: 14 14.996 1.886 1.076 0.458 1.000 0.692 CB 1.109 13 residues pruned to eliminate duplicates Z: 10 17.402 1.889 0.878 0.778 1.000 0.667 CA 1.279 10 residues pruned to eliminate duplicates Z: 58 32.682 2.083 0.619 0.624 0.965 0.579 CB 1.184 58 residues pruned to eliminate duplicates Z: 25 18.235 1.955 0.733 0.562 0.958 0.417 CB 1.080 25 residues pruned to eliminate duplicates Z: 10 19.825 1.999 0.976 0.701 1.000 0.444 CA 1.393 10 residues pruned to eliminate duplicates Z: 16 20.385 1.887 0.392 0.890 1.000 0.667 CB 1.441 16 residues pruned to eliminate duplicates Z: 17 19.207 1.868 0.450 0.891 0.938 0.812 CB 1.359 17 residues pruned to eliminate duplicates Z: 17 16.889 1.875 0.226 0.885 1.000 0.812 CB 1.327 17 residues pruned to eliminate duplicates Z: 18 17.802 1.806 0.380 0.855 1.000 0.824 CB 1.278 18 residues pruned to eliminate duplicates Z: 16 19.066 1.935 0.297 0.911 1.000 0.800 CB 1.390 16 residues pruned to eliminate duplicates Z: 16 21.303 1.963 0.565 0.883 0.933 0.600 CB 1.388 16 residues pruned to eliminate duplicates Z: 17 19.537 1.888 0.595 0.848 0.875 0.500 CB 1.375 17 residues pruned to eliminate duplicates Z: 17 22.035 1.878 0.508 0.906 1.000 0.562 CB 1.383 17 residues pruned to eliminate duplicates Z: 17 19.804 1.888 0.492 0.846 0.875 0.375 CB 1.493 17 residues pruned to eliminate duplicates Z: 17 18.781 1.876 0.503 0.878 0.875 0.250 CB 1.380 17 residues pruned to eliminate duplicates Z: 18 19.347 1.790 0.500 0.877 1.000 0.353 CB 1.269 18 residues pruned to eliminate duplicates Z: 15 19.272 1.899 0.653 0.866 0.857 0.214 CB 1.400 15 residues pruned to eliminate duplicates Z: 14 23.697 1.991 0.731 0.937 0.923 0.154 CB 1.437 15 residues pruned to eliminate duplicates Z: 17 22.858 1.879 0.517 0.894 1.000 0.250 CB 1.438 17 residues pruned to eliminate duplicates Z: 17 18.675 1.864 0.504 0.852 0.875 0.188 CB 1.408 17 residues pruned to eliminate duplicates Z: 22 17.022 1.675 0.687 0.790 1.000 0.714 CB 1.020 22 residues pruned to eliminate duplicates Z: 38 22.999 1.874 0.610 0.652 0.946 0.676 CB 1.150 43 residues pruned to eliminate duplicates Z: 19 20.151 1.824 0.659 0.931 1.000 0.833 CB 1.097 19 residues pruned to eliminate duplicates Z: 21 17.155 1.767 0.675 0.816 1.000 0.550 CB 0.985 19 residues pruned to eliminate duplicates Z: 13 23.121 1.828 0.885 0.919 1.000 0.750 CB 1.365 13 residues pruned to eliminate duplicates Z: 13 24.796 1.867 0.907 0.935 1.000 0.667 CB 1.402 13 residues pruned to eliminate duplicates Z: 20 21.838 1.785 0.852 0.889 1.000 0.684 CB 1.091 22 residues pruned to eliminate duplicates Z: 19 21.019 1.843 0.710 0.918 1.000 0.722 CB 1.109 19 residues pruned to eliminate duplicates Z: 18 21.942 1.867 0.813 0.938 1.000 1.000 CB 1.094 18 residues pruned to eliminate duplicates Z: 20 20.692 1.800 0.798 0.864 1.000 0.632 CB 1.076 20 residues pruned to eliminate duplicates Z: 19 21.958 1.838 0.726 0.924 1.000 0.611 CB 1.146 19 residues pruned to eliminate duplicates Z: 21 18.166 1.760 0.766 0.812 0.950 0.550 CB 1.049 21 residues pruned to eliminate duplicates Z: 20 21.259 1.783 0.827 0.876 1.000 0.789 CB 1.088 20 residues pruned to eliminate duplicates Z: 21 18.543 1.759 0.713 0.839 1.000 0.550 CB 1.027 21 residues pruned to eliminate duplicates Z: 20 19.412 1.785 0.702 0.877 1.000 0.684 CB 1.064 20 residues pruned to eliminate duplicates Z: 22 15.996 1.679 0.679 0.774 1.000 0.286 CB 0.972 22 residues pruned to eliminate duplicates Z: 48 34.084 2.182 0.586 0.544 0.957 0.638 CB 1.437 48 residues pruned to eliminate duplicates Z: 22 18.432 2.035 0.498 0.429 1.000 0.619 CA 1.421 22 residues pruned to eliminate duplicates Z: 9 7.092 1.778 0.245 0.609 1.000 0.625 CB 1.022 8 residues pruned to eliminate duplicates Z: 9 6.545 1.766 0.353 0.573 0.875 0.500 CB 1.031 9 residues pruned to eliminate duplicates Z: 8 7.823 1.821 0.409 0.631 1.000 0.571 CB 1.019 8 residues pruned to eliminate duplicates Z: 9 5.605 1.687 0.399 0.515 0.875 0.250 CB 0.946 9 residues pruned to eliminate duplicates Z: 7 6.952 1.719 0.510 0.554 0.833 0.333 CA 1.245 Z: 8 8.555 1.567 0.398 0.759 1.000 0.714 CB 1.173 7 residues pruned to eliminate duplicates Z: 7 5.573 1.716 0.298 0.503 0.833 0.333 CB 1.223 7 residues pruned to eliminate duplicates Z: 47 30.047 2.039 0.581 0.569 0.935 0.630 CA 1.376 47 residues pruned to eliminate duplicates Z: 8 4.604 1.587 0.280 0.441 0.714 0.571 CA 1.274 8 residues pruned to eliminate duplicates Z: 8 7.213 1.561 0.279 0.714 1.000 0.714 CA 1.125 8 residues pruned to eliminate duplicates Z: 7 7.914 1.786 0.599 0.554 0.833 0.167 CB 1.288 7 residues pruned to eliminate duplicates Z: 28 22.313 2.061 0.675 0.642 0.852 0.519 CB 1.278 28 residues pruned to eliminate duplicates Z: 24 20.989 2.108 0.486 0.661 0.913 0.609 CB 1.317 24 residues pruned to eliminate duplicates Z: 10 12.284 2.027 0.549 0.545 0.889 0.333 CA 1.404 10 residues pruned to eliminate duplicates Z: 31 15.796 1.968 0.403 0.623 0.900 0.433 CB 1.033 31 residues pruned to eliminate duplicates Z: 27 23.122 2.074 0.650 0.661 0.923 0.346 CB 1.236 27 residues pruned to eliminate duplicates Z: 27 22.720 2.110 0.593 0.678 0.846 0.500 CB 1.330 27 residues pruned to eliminate duplicates Z: 23 20.755 2.135 0.468 0.679 0.909 0.455 CB 1.317 23 residues pruned to eliminate duplicates Z: 27 24.506 2.118 0.541 0.730 0.923 0.500 CB 1.296 27 residues pruned to eliminate duplicates Z: 27 19.926 1.994 0.426 0.677 0.885 0.462 CB 1.319 27 residues pruned to eliminate duplicates Z: 24 21.767 2.099 0.455 0.683 0.957 0.478 CB 1.313 24 residues pruned to eliminate duplicates Z: 25 23.152 2.083 0.613 0.656 0.917 0.417 CB 1.328 24 residues pruned to eliminate duplicates Z: 14 13.994 2.015 0.377 0.757 1.000 0.462 CB 1.113 14 residues pruned to eliminate duplicates Z: 29 20.096 2.024 0.432 0.668 0.929 0.464 CB 1.208 29 residues pruned to eliminate duplicates Z: 28 22.945 2.091 0.568 0.657 0.852 0.519 CB 1.366 28 residues pruned to eliminate duplicates Z: 28 24.236 2.100 0.600 0.676 0.889 0.407 CB 1.327 28 residues pruned to eliminate duplicates Z: 27 22.750 2.135 0.488 0.695 0.885 0.577 CB 1.327 27 residues pruned to eliminate duplicates Z: 29 25.847 2.090 0.707 0.651 0.893 0.393 CB 1.333 28 residues pruned to eliminate duplicates Z: 6 4.565 1.485 0.406 0.436 1.000 0.800 CA 1.044 6 residues pruned to eliminate duplicates Z: 27 17.940 2.028 0.379 0.659 0.846 0.538 CB 1.282 27 residues pruned to eliminate duplicates Z: 30 19.311 2.022 0.373 0.596 0.897 0.448 CB 1.314 30 residues pruned to eliminate duplicates Z: 47 26.440 2.035 0.552 0.573 0.935 0.587 CB 1.231 47 residues pruned to eliminate duplicates Z: 27 19.910 2.095 0.487 0.595 0.885 0.500 CB 1.294 27 residues pruned to eliminate duplicates Z: 29 17.497 2.015 0.315 0.584 0.893 0.464 CB 1.290 29 residues pruned to eliminate duplicates Z: 29 21.038 2.070 0.542 0.606 0.857 0.429 CB 1.314 29 residues pruned to eliminate duplicates Z: 58 31.180 2.054 0.361 0.620 0.912 0.684 CB 1.447 58 residues pruned to eliminate duplicates Z: 7 6.393 1.787 0.460 0.354 0.833 0.333 CB 1.405 7 residues pruned to eliminate duplicates Z: 45 29.229 2.080 0.399 0.621 0.909 0.636 CB 1.486 45 residues pruned to eliminate duplicates Z: 35 30.866 2.153 0.433 0.693 0.941 0.765 CB 1.528 35 residues pruned to eliminate duplicates Z: 36 23.408 2.080 0.332 0.618 0.829 0.600 CB 1.543 36 residues pruned to eliminate duplicates Z: 26 22.548 2.097 0.203 0.760 0.920 0.800 CA 1.542 26 residues pruned to eliminate duplicates Z: 84 46.008 2.132 0.603 0.596 0.928 0.723 CB 1.454 84 residues pruned to eliminate duplicates Z: 58 32.375 2.083 0.418 0.659 0.877 0.632 CB 1.429 58 residues pruned to eliminate duplicates Z: 19 16.789 1.929 0.449 0.535 0.889 0.667 CA 1.540 19 residues pruned to eliminate duplicates Z: 14 19.069 2.149 0.465 0.576 0.923 0.462 CB 1.691 14 residues pruned to eliminate duplicates Z: 35 37.056 2.197 0.631 0.702 0.941 0.735 CB 1.568 35 residues pruned to eliminate duplicates Z: 84 47.664 2.141 0.542 0.617 0.976 0.735 CB 1.453 84 residues pruned to eliminate duplicates Z: 15 14.759 2.032 0.369 0.559 0.857 0.500 CB 1.563 15 residues pruned to eliminate duplicates Z: 25 32.091 2.153 0.394 0.783 1.000 0.833 CA 1.701 25 residues pruned to eliminate duplicates Z: 29 28.316 2.079 0.544 0.700 0.893 0.643 CB 1.555 29 residues pruned to eliminate duplicates Z: 85 47.307 2.138 0.580 0.600 0.929 0.702 CB 1.497 85 residues pruned to eliminate duplicates Z: 30 35.468 2.159 0.629 0.712 0.966 0.759 CA 1.601 30 residues pruned to eliminate duplicates Z: 54 36.260 2.089 0.506 0.682 0.887 0.585 CB 1.509 54 residues pruned to eliminate duplicates Z: 61 35.678 2.120 0.533 0.646 0.867 0.583 CB 1.426 61 residues pruned to eliminate duplicates Z: 34 32.503 2.073 0.621 0.727 0.939 0.697 CB 1.461 34 residues pruned to eliminate duplicates Z: 65 52.265 2.208 0.777 0.652 0.969 0.594 CB 1.492 65 residues pruned to eliminate duplicates Z: 31 41.014 2.150 0.751 0.738 0.967 0.433 CB 1.662 31 residues pruned to eliminate duplicates Z: 55 39.028 2.037 0.691 0.702 0.907 0.556 CB 1.414 54 residues pruned to eliminate duplicates Z: 20 34.008 2.130 0.917 0.929 0.947 0.474 CB 1.412 20 residues pruned to eliminate duplicates Z: 34 29.787 2.004 0.640 0.652 0.939 0.576 CB 1.458 34 residues pruned to eliminate duplicates Z: 31 35.716 2.103 0.812 0.683 0.933 0.533 CB 1.550 31 residues pruned to eliminate duplicates Z: 35 37.038 2.118 0.736 0.741 0.941 0.529 CB 1.479 35 residues pruned to eliminate duplicates Z: 31 42.441 2.161 0.820 0.734 0.933 0.667 CB 1.711 31 residues pruned to eliminate duplicates Z: 36 34.735 2.157 0.664 0.691 0.914 0.600 CB 1.502 36 residues pruned to eliminate duplicates Z: 101 52.649 2.149 0.673 0.596 0.930 0.620 CB 1.436 101 residues pruned to eliminate duplicates Z: 34 35.996 2.133 0.705 0.702 0.970 0.485 CB 1.479 34 residues pruned to eliminate duplicates Z: 55 42.756 2.104 0.791 0.682 0.944 0.685 CB 1.384 55 residues pruned to eliminate duplicates Z: 43 35.111 2.094 0.695 0.687 0.929 0.667 CB 1.385 43 residues pruned to eliminate duplicates Z: 85 47.510 2.142 0.648 0.611 0.940 0.607 CB 1.406 85 residues pruned to eliminate duplicates Z: 34 39.507 2.162 0.726 0.737 0.939 0.636 CB 1.586 34 residues pruned to eliminate duplicates Z: 10 6.305 2.148 0.097 0.610 0.889 0.889 CB 0.904 10 residues pruned to eliminate duplicates Z: 116 51.816 2.159 0.552 0.570 0.965 0.661 CB 1.396 116 residues pruned to eliminate duplicates Z: 84 48.852 2.151 0.683 0.596 0.928 0.566 CB 1.456 84 residues pruned to eliminate duplicates Z: 36 32.499 2.248 0.749 0.619 0.914 0.657 CB 1.366 36 residues pruned to eliminate duplicates Z: 28 32.860 2.284 0.761 0.556 1.000 0.630 CB 1.489 28 residues pruned to eliminate duplicates Z: 105 48.486 2.140 0.599 0.539 0.952 0.635 CB 1.404 105 residues pruned to eliminate duplicates Z: 21 32.106 2.303 0.874 0.621 1.000 0.600 CB 1.484 21 residues pruned to eliminate duplicates Z: 72 33.275 2.102 0.556 0.481 0.887 0.577 CB 1.387 72 residues pruned to eliminate duplicates Z: 108 51.385 2.149 0.613 0.575 0.963 0.598 CB 1.385 108 residues pruned to eliminate duplicates Z: 31 32.090 2.259 0.785 0.596 1.000 0.667 CB 1.326 31 residues pruned to eliminate duplicates Z: 39 23.804 2.066 0.685 0.479 0.842 0.474 CB 1.346 39 residues pruned to eliminate duplicates Z: 97 47.995 2.170 0.576 0.542 0.958 0.583 CB 1.434 97 residues pruned to eliminate duplicates Z: 48 29.273 2.147 0.564 0.517 0.915 0.511 CB 1.367 48 residues pruned to eliminate duplicates Z: 53 34.299 2.090 0.707 0.523 0.962 0.481 CB 1.355 53 residues pruned to eliminate duplicates Z: 48 30.775 2.148 0.647 0.481 0.894 0.596 CB 1.448 48 residues pruned to eliminate duplicates Z: 28 30.908 2.269 0.637 0.627 1.000 0.741 CB 1.421 28 residues pruned to eliminate duplicates Z: 30 29.990 2.253 0.673 0.553 0.966 0.621 CB 1.453 30 residues pruned to eliminate duplicates Z: 50 32.642 2.124 0.605 0.507 0.959 0.551 CB 1.416 50 residues pruned to eliminate duplicates Z: 31 31.743 2.216 0.762 0.581 0.967 0.567 CB 1.421 31 residues pruned to eliminate duplicates Z: 129 52.167 2.107 0.609 0.558 0.945 0.602 CB 1.360 129 residues pruned to eliminate duplicates Z: 21 29.782 2.302 0.756 0.608 1.000 0.600 CA 1.487 21 residues pruned to eliminate duplicates Z: 51 33.643 2.126 0.630 0.512 0.960 0.540 CB 1.413 51 residues pruned to eliminate duplicates Z: 48 30.425 2.108 0.641 0.482 0.915 0.511 CB 1.428 48 residues pruned to eliminate duplicates Z: 49 30.943 2.114 0.574 0.507 0.938 0.542 CB 1.422 49 residues pruned to eliminate duplicates Z: 51 31.146 2.109 0.581 0.496 0.960 0.560 CB 1.381 51 residues pruned to eliminate duplicates Z: 47 34.757 2.155 0.673 0.528 0.978 0.609 CB 1.414 47 residues pruned to eliminate duplicates Z: 47 31.177 2.128 0.656 0.518 0.891 0.630 CB 1.437 47 residues pruned to eliminate duplicates Z: 15 15.734 1.981 0.616 0.545 0.929 0.357 CA 1.354 15 residues pruned to eliminate duplicates Z: 21 14.591 1.943 0.399 0.435 0.950 0.450 CB 1.351 21 residues pruned to eliminate duplicates Z: 28 16.888 1.980 0.492 0.432 0.926 0.593 CB 1.275 28 residues pruned to eliminate duplicates Z: 48 32.948 2.165 0.652 0.514 0.894 0.638 CB 1.482 48 residues pruned to eliminate duplicates Z: 47 33.155 2.168 0.626 0.546 0.957 0.565 CB 1.386 47 residues pruned to eliminate duplicates Z: 18 12.676 1.897 0.528 0.477 0.882 0.706 CA 1.231 18 residues pruned to eliminate duplicates Z: 49 31.322 2.131 0.652 0.497 0.896 0.562 CB 1.437 49 residues pruned to eliminate duplicates Z: 108 53.439 2.161 0.646 0.569 0.953 0.664 CB 1.425 108 residues pruned to eliminate duplicates Z: 47 30.813 2.137 0.527 0.513 0.957 0.652 CB 1.437 47 residues pruned to eliminate duplicates Z: 72 37.042 2.095 0.593 0.496 0.944 0.620 CB 1.401 96 residues pruned to eliminate duplicates Z: 22 18.402 1.995 0.656 0.512 0.952 0.762 CB 1.261 22 residues pruned to eliminate duplicates Z: 51 27.633 2.046 0.573 0.483 0.940 0.640 CB 1.314 51 residues pruned to eliminate duplicates Z: 95 46.609 2.111 0.544 0.588 0.968 0.638 CB 1.401 95 residues pruned to eliminate duplicates Z: 22 12.296 1.946 0.412 0.477 0.905 0.571 CB 1.105 22 residues pruned to eliminate duplicates Z: 110 50.126 2.157 0.603 0.581 0.917 0.633 CB 1.401 110 residues pruned to eliminate duplicates Z: 62 37.598 2.141 0.546 0.592 0.951 0.689 CB 1.401 62 residues pruned to eliminate duplicates Z: 36 22.322 2.023 0.555 0.526 0.943 0.771 CB 1.239 36 residues pruned to eliminate duplicates Z: 123 52.337 2.131 0.569 0.563 0.959 0.615 CB 1.389 123 residues pruned to eliminate duplicates Z: 110 53.056 2.166 0.627 0.587 0.972 0.633 CB 1.365 110 residues pruned to eliminate duplicates Z: 80 40.697 2.113 0.543 0.604 0.911 0.684 CB 1.395 80 residues pruned to eliminate duplicates Z: 22 13.918 1.980 0.407 0.460 0.905 0.619 CB 1.255 22 residues pruned to eliminate duplicates Z: 60 40.535 2.182 0.601 0.619 0.949 0.678 CB 1.423 60 residues pruned to eliminate duplicates Z: 64 39.412 2.144 0.649 0.538 0.968 0.635 CB 1.397 64 residues pruned to eliminate duplicates Z: 61 40.043 2.151 0.543 0.588 0.983 0.717 CB 1.456 61 residues pruned to eliminate duplicates Z: 76 39.322 2.102 0.620 0.545 0.960 0.600 CB 1.329 76 residues pruned to eliminate duplicates Z: 110 49.348 2.154 0.628 0.575 0.927 0.688 CB 1.353 110 residues pruned to eliminate duplicates Z: 95 41.130 2.085 0.579 0.554 0.915 0.638 CB 1.337 95 residues pruned to eliminate duplicates Z: 116 49.992 2.116 0.654 0.522 0.957 0.600 CB 1.362 116 residues pruned to eliminate duplicates Z: 26 19.934 2.090 0.692 0.479 0.960 0.640 CB 1.199 26 residues pruned to eliminate duplicates Z: 88 39.726 2.097 0.533 0.545 0.920 0.655 CB 1.379 88 residues pruned to eliminate duplicates Z: 122 52.083 2.139 0.589 0.547 0.975 0.620 CB 1.365 122 residues pruned to eliminate duplicates Z: 61 41.108 2.182 0.607 0.602 0.967 0.700 CB 1.420 61 residues pruned to eliminate duplicates Z: 79 44.285 2.123 0.539 0.591 0.987 0.654 CB 1.424 79 residues pruned to eliminate duplicates Z: 78 41.714 2.105 0.611 0.566 0.935 0.675 CB 1.405 78 residues pruned to eliminate duplicates Z: 108 51.570 2.178 0.613 0.569 0.944 0.598 CB 1.407 108 residues pruned to eliminate duplicates Z: 109 51.247 2.157 0.581 0.572 0.972 0.639 CB 1.388 109 residues pruned to eliminate duplicates Z: 63 38.206 2.166 0.615 0.565 0.919 0.677 CB 1.416 63 residues pruned to eliminate duplicates Z: 51 34.274 2.136 0.604 0.582 0.940 0.600 CB 1.391 51 residues pruned to eliminate duplicates Z: 110 48.729 2.165 0.586 0.582 0.917 0.670 CB 1.369 110 residues pruned to eliminate duplicates Z: 95 46.112 2.083 0.645 0.588 0.936 0.660 CB 1.363 95 residues pruned to eliminate duplicates Z: 108 52.897 2.161 0.648 0.562 0.953 0.654 CB 1.418 108 residues pruned to eliminate duplicates Z: 64 38.489 2.159 0.565 0.597 0.937 0.635 CB 1.397 64 residues pruned to eliminate duplicates Z: 115 50.293 2.128 0.634 0.541 0.930 0.623 CB 1.399 115 residues pruned to eliminate duplicates Z: 103 46.866 2.102 0.640 0.563 0.931 0.647 CB 1.360 103 residues pruned to eliminate duplicates Z: 76 41.783 2.118 0.629 0.549 0.973 0.613 CB 1.369 76 residues pruned to eliminate duplicates Z: 124 53.383 2.153 0.575 0.573 0.959 0.626 CB 1.378 124 residues pruned to eliminate duplicates Z: 32 31.956 2.135 0.514 0.689 1.000 0.710 CA 1.494 32 residues pruned to eliminate duplicates Z: 109 52.433 2.164 0.652 0.579 0.944 0.602 CB 1.384 109 residues pruned to eliminate duplicates Z: 109 51.719 2.156 0.608 0.587 0.944 0.639 CB 1.398 109 residues pruned to eliminate duplicates Z: 96 49.246 2.163 0.643 0.558 0.947 0.716 CB 1.419 96 residues pruned to eliminate duplicates Z: 129 59.306 2.116 0.682 0.571 0.977 0.594 CB 1.408 128 residues pruned to eliminate duplicates Z: 15 26.336 2.216 0.598 0.879 0.929 0.714 CA 1.552 15 residues pruned to eliminate duplicates Z: 105 52.747 2.169 0.670 0.554 0.942 0.673 CB 1.437 105 residues pruned to eliminate duplicates Z: 63 40.409 2.141 0.620 0.569 0.952 0.597 CB 1.454 63 residues pruned to eliminate duplicates Z: 107 51.287 2.165 0.602 0.567 0.962 0.604 CB 1.399 107 residues pruned to eliminate duplicates Z: 77 44.369 2.133 0.586 0.579 0.987 0.605 CB 1.413 77 residues pruned to eliminate duplicates Z: 109 51.215 2.152 0.627 0.566 0.944 0.667 CB 1.398 109 residues pruned to eliminate duplicates Z: 77 45.829 2.144 0.641 0.602 0.961 0.671 CB 1.412 77 residues pruned to eliminate duplicates Z: 16 18.931 2.127 0.528 0.527 0.933 0.467 CB 1.568 16 residues pruned to eliminate duplicates Z: 110 53.216 2.169 0.621 0.579 0.972 0.697 CB 1.382 110 residues pruned to eliminate duplicates Z: 18 18.648 2.108 0.559 0.564 0.882 0.588 CB 1.466 18 residues pruned to eliminate duplicates Z: 62 37.318 2.146 0.610 0.577 0.918 0.705 CB 1.398 62 residues pruned to eliminate duplicates Z: 106 50.354 2.159 0.579 0.562 0.952 0.619 CB 1.425 106 residues pruned to eliminate duplicates Z: 18 15.265 2.104 0.325 0.554 0.941 0.471 CB 1.339 18 residues pruned to eliminate duplicates Z: 63 37.474 2.133 0.540 0.587 0.968 0.677 CB 1.377 63 residues pruned to eliminate duplicates Z: 20 10.573 1.806 0.319 0.418 0.895 0.368 CB 1.240 20 residues pruned to eliminate duplicates Z: 33 23.398 2.067 0.498 0.554 0.906 0.562 CB 1.398 34 residues pruned to eliminate duplicates Z: 7 8.091 1.922 0.184 0.818 1.000 0.500 CB 1.101 7 residues pruned to eliminate duplicates Z: 106 47.640 2.097 0.624 0.552 0.933 0.629 CB 1.390 106 residues pruned to eliminate duplicates Z: 33 17.632 2.021 0.330 0.541 0.812 0.500 CB 1.371 33 residues pruned to eliminate duplicates Z: 18 15.328 1.974 0.579 0.595 0.882 0.706 CB 1.234 18 residues pruned to eliminate duplicates Z: 96 44.826 2.107 0.609 0.570 0.937 0.568 CB 1.354 96 residues pruned to eliminate duplicates Z: 125 57.197 2.152 0.649 0.573 0.976 0.661 CB 1.382 125 residues pruned to eliminate duplicates Z: 14 11.602 1.994 0.214 0.588 0.923 0.692 CB 1.324 14 residues pruned to eliminate duplicates Z: 8 2.892 1.448 0.248 0.482 0.714 0.143 CB 0.862 8 residues pruned to eliminate duplicates Z: 32 25.804 2.084 0.582 0.587 0.968 0.581 CB 1.337 32 residues pruned to eliminate duplicates Z: 81 43.915 2.094 0.619 0.594 0.963 0.688 CB 1.375 81 residues pruned to eliminate duplicates Z: 34 23.437 2.040 0.532 0.584 0.939 0.636 CB 1.283 34 residues pruned to eliminate duplicates Z: 32 28.491 2.085 0.775 0.598 0.968 0.645 CB 1.301 32 residues pruned to eliminate duplicates Z: 8 12.885 2.109 0.153 0.869 1.000 0.857 CA 1.463 8 residues pruned to eliminate duplicates Z: 126 53.430 2.127 0.678 0.558 0.920 0.648 CB 1.375 126 residues pruned to eliminate duplicates Z: 33 28.967 2.086 0.707 0.579 0.969 0.625 CB 1.375 33 residues pruned to eliminate duplicates Z: 9 17.587 2.144 0.393 0.888 1.000 0.875 CA 1.500 10 residues pruned to eliminate duplicates Z: 10 15.130 2.045 0.306 0.788 1.000 0.778 CA 1.466 10 residues pruned to eliminate duplicates Z: 35 27.803 2.014 0.713 0.559 0.941 0.647 CB 1.387 35 residues pruned to eliminate duplicates Z: 102 42.556 2.090 0.538 0.525 0.970 0.644 CB 1.324 102 residues pruned to eliminate duplicates Z: 84 39.904 2.102 0.523 0.505 0.976 0.566 CB 1.395 84 residues pruned to eliminate duplicates Z: 51 31.886 2.115 0.667 0.547 0.940 0.660 CB 1.299 51 residues pruned to eliminate duplicates Z: 51 32.908 2.122 0.634 0.514 0.940 0.660 CB 1.408 51 residues pruned to eliminate duplicates Z: 26 32.675 2.279 0.781 0.580 0.960 0.680 CA 1.553 26 residues pruned to eliminate duplicates Z: 31 30.373 2.228 0.757 0.508 0.967 0.633 CA 1.454 31 residues pruned to eliminate duplicates Z: 35 27.037 2.103 0.724 0.471 0.912 0.588 CB 1.444 35 residues pruned to eliminate duplicates Z: 49 36.130 2.090 0.694 0.508 0.979 0.542 CB 1.492 49 residues pruned to eliminate duplicates Z: 7 2.851 1.721 0.218 0.324 1.000 0.500 CB 0.673 Z: 6 2.114 1.285 -0.087 0.483 1.000 0.200 O 0.819 4 residues pruned to eliminate duplicates Z: 6 3.786 1.573 0.592 0.386 0.600 0.600 CB 1.273 Z: 6 4.503 1.619 0.138 0.412 1.000 0.600 CA 1.198 911 residues left after pruning, divided into chains as follows: A: 9 B: 8 C: 9 D: 12 E: 186 F: 11 G: 9 H: 17 I: 181 J: 185 K: 16 L: 37 M: 8 N: 8 O: 187 P: 9 Q: 19 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 33.25 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.398, Connect. = 0.716 for dens.mod. cycle 1 = 0.300, Contrast = 0.481, Connect. = 0.763 for dens.mod. cycle 2 = 0.300, Contrast = 0.542, Connect. = 0.780 for dens.mod. cycle 3 = 0.300, Contrast = 0.553, Connect. = 0.784 for dens.mod. cycle 4 = 0.300, Contrast = 0.561, Connect. = 0.786 for dens.mod. cycle 5 = 0.300, Contrast = 0.566, Connect. = 0.787 for dens.mod. cycle 6 = 0.300, Contrast = 0.569, Connect. = 0.788 for dens.mod. cycle 7 = 0.300, Contrast = 0.572, Connect. = 0.789 for dens.mod. cycle 8 = 0.300, Contrast = 0.575, Connect. = 0.789 for dens.mod. cycle 9 = 0.300, Contrast = 0.577, Connect. = 0.790 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 5828 peaks > 0.5 sigma used to seed fragment search Space for about 1111 unique residues taking solvent into account 1141 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 8 19.945 2.225 0.724 0.883 1.000 0.857 CB 1.421 B: 8 12.070 2.214 0.016 0.881 1.000 1.000 CB 1.469 8 residues pruned to eliminate duplicates C: 8 14.757 2.186 0.393 0.880 1.000 0.857 CB 1.327 D: 9 17.873 2.090 0.476 0.867 1.000 0.875 CA 1.499 9 residues pruned to eliminate duplicates E: 63 37.954 2.063 0.642 0.674 0.903 0.613 CB 1.342 F: 9 18.492 1.917 0.871 0.865 1.000 0.625 CB 1.336 8 residues pruned to eliminate duplicates G: 21 25.006 2.056 0.436 0.919 0.950 0.800 CB 1.405 21 residues pruned to eliminate duplicates H: 20 29.599 2.145 0.549 0.918 0.947 0.789 CB 1.521 I: 21 28.371 2.031 0.542 0.912 1.000 0.850 CA 1.434 21 residues pruned to eliminate duplicates J: 20 18.674 2.078 0.100 0.923 0.947 0.789 CB 1.391 20 residues pruned to eliminate duplicates K: 6 5.945 1.734 0.078 0.800 1.000 0.600 CB 1.094 L: 20 22.810 2.059 0.203 0.909 1.000 0.895 CA 1.500 20 residues pruned to eliminate duplicates M: 9 5.138 1.400 0.178 0.748 0.750 0.500 O 1.177 N: 21 30.020 1.994 0.643 0.922 1.000 0.750 CB 1.441 O: 8 13.577 2.156 0.438 0.732 0.857 0.429 CA 1.568 P: 9 20.157 2.065 0.690 0.883 1.000 0.750 CB 1.477 9 residues pruned to eliminate duplicates Q: 9 17.338 2.111 0.379 0.897 1.000 1.000 CA 1.506 R: 29 32.779 2.303 0.575 0.644 0.964 0.679 CB 1.548 8 residues pruned to eliminate duplicates S: 15 28.759 2.224 0.661 0.899 0.929 0.714 CB 1.602 T: 9 19.386 2.195 0.622 0.813 1.000 0.750 CB 1.466 8 residues pruned to eliminate duplicates U: 16 20.335 2.115 0.542 0.877 0.933 0.733 CB 1.253 V: 7 15.106 2.149 0.646 0.705 1.000 0.667 CA 1.447 W: 16 23.531 2.095 0.612 0.875 1.000 0.800 CA 1.308 X: 10 19.303 1.927 0.678 0.831 1.000 0.778 CA 1.495 Y: 10 16.958 2.193 0.736 0.877 0.889 0.667 CB 1.213 Z: 20 33.419 2.078 0.719 0.920 1.000 0.737 CB 1.512 20 residues pruned to eliminate duplicates Z: 11 14.443 1.828 0.500 0.815 1.000 1.000 CB 1.266 11 residues pruned to eliminate duplicates Z: 20 33.350 2.130 0.738 0.933 0.947 0.474 CB 1.523 19 residues pruned to eliminate duplicates Z: 11 17.658 2.177 0.586 0.615 0.900 0.700 CB 1.612 Z: 91 46.497 2.149 0.584 0.592 0.911 0.533 CB 1.448 58 residues pruned to eliminate duplicates Z: 9 17.325 2.093 0.616 0.860 1.000 0.875 CB 1.332 8 residues pruned to eliminate duplicates Z: 9 25.912 2.107 0.910 0.843 1.000 0.750 CB 1.694 9 residues pruned to eliminate duplicates Z: 20 30.848 2.094 0.798 0.853 0.947 0.632 CB 1.466 Z: 17 33.233 2.178 0.790 0.944 1.000 0.625 CB 1.476 17 residues pruned to eliminate duplicates Z: 10 13.439 2.000 0.428 0.851 1.000 0.778 CA 1.161 Z: 10 19.310 1.993 0.534 0.862 1.000 0.889 CA 1.546 10 residues pruned to eliminate duplicates Z: 9 17.667 1.979 0.697 0.767 1.000 0.750 CB 1.468 Z: 15 23.000 2.243 0.508 0.883 0.857 0.714 CA 1.533 15 residues pruned to eliminate duplicates Z: 65 39.684 2.173 0.557 0.576 0.953 0.578 CB 1.429 15 residues pruned to eliminate duplicates Z: 80 41.866 2.153 0.505 0.592 0.924 0.646 CB 1.440 30 residues pruned to eliminate duplicates Z: 20 29.252 2.094 0.607 0.904 0.947 0.632 CA 1.500 20 residues pruned to eliminate duplicates Z: 20 32.766 2.125 0.636 0.926 1.000 0.737 CB 1.517 20 residues pruned to eliminate duplicates Z: 20 38.380 2.100 0.875 0.909 1.000 0.684 CA 1.587 20 residues pruned to eliminate duplicates Z: 8 18.374 2.236 0.734 0.902 0.857 0.857 CB 1.490 8 residues pruned to eliminate duplicates Z: 87 39.469 2.081 0.518 0.553 0.942 0.593 CB 1.359 77 residues pruned to eliminate duplicates Z: 19 24.898 2.149 0.224 0.940 1.000 0.667 CB 1.549 19 residues pruned to eliminate duplicates Z: 20 33.829 2.017 0.893 0.905 1.000 0.474 CB 1.447 20 residues pruned to eliminate duplicates Z: 32 37.537 2.143 0.815 0.705 0.935 0.419 CB 1.538 21 residues pruned to eliminate duplicates Z: 11 16.477 2.015 0.636 0.909 0.900 0.800 CB 1.246 11 residues pruned to eliminate duplicates Z: 17 24.992 2.054 0.570 0.922 1.000 0.875 CB 1.363 16 residues pruned to eliminate duplicates Z: 10 13.375 2.088 0.448 0.888 1.000 0.889 CB 1.063 10 residues pruned to eliminate duplicates Z: 14 14.319 1.926 0.053 0.928 1.000 0.846 CB 1.371 Z: 8 12.855 1.930 0.613 0.682 1.000 0.714 CA 1.321 Z: 20 26.649 2.100 0.491 0.931 0.947 0.632 CB 1.440 20 residues pruned to eliminate duplicates Z: 10 19.443 2.087 0.640 0.859 1.000 1.000 CB 1.393 9 residues pruned to eliminate duplicates Z: 21 30.757 2.031 0.778 0.897 1.000 0.750 CB 1.364 21 residues pruned to eliminate duplicates Z: 9 15.951 1.911 0.859 0.712 0.875 0.750 CA 1.497 9 residues pruned to eliminate duplicates Z: 11 18.857 2.060 0.597 0.853 1.000 0.700 CB 1.340 11 residues pruned to eliminate duplicates Z: 44 36.913 2.189 0.636 0.571 0.977 0.721 CA 1.503 44 residues pruned to eliminate duplicates Z: 18 21.080 1.889 0.711 0.929 1.000 0.647 CB 1.107 Z: 8 9.172 2.238 0.097 0.799 0.857 0.714 CB 1.268 8 residues pruned to eliminate duplicates Z: 9 20.671 1.965 0.905 0.846 1.000 0.750 CB 1.450 9 residues pruned to eliminate duplicates Z: 15 21.485 2.203 0.442 0.930 1.000 0.714 CB 1.264 15 residues pruned to eliminate duplicates Z: 20 29.429 2.101 0.537 0.915 1.000 0.789 CB 1.478 20 residues pruned to eliminate duplicates Z: 7 17.008 2.192 0.677 0.849 0.833 0.500 CA 1.681 7 residues pruned to eliminate duplicates Z: 20 37.112 2.083 0.935 0.920 1.000 0.632 CB 1.488 21 residues pruned to eliminate duplicates Z: 8 13.533 2.176 0.282 0.862 1.000 0.714 CB 1.347 8 residues pruned to eliminate duplicates Z: 9 9.493 2.093 0.159 0.906 1.000 0.750 CB 0.983 9 residues pruned to eliminate duplicates Z: 6 16.343 2.292 0.783 0.835 0.800 0.400 CB 1.674 6 residues pruned to eliminate duplicates Z: 31 20.072 2.030 0.414 0.567 0.833 0.500 CB 1.437 31 residues pruned to eliminate duplicates Z: 16 17.914 2.102 0.346 0.891 0.933 0.933 CA 1.259 16 residues pruned to eliminate duplicates Z: 10 20.108 2.117 0.471 0.924 1.000 0.778 CB 1.512 10 residues pruned to eliminate duplicates Z: 17 23.280 2.081 0.453 0.870 1.000 0.688 CB 1.405 17 residues pruned to eliminate duplicates Z: 18 32.870 2.070 1.070 0.871 0.882 0.529 CB 1.539 19 residues pruned to eliminate duplicates Z: 19 20.598 1.909 0.571 0.910 1.000 0.833 CB 1.148 19 residues pruned to eliminate duplicates Z: 28 28.444 2.191 0.643 0.581 0.963 0.556 CA 1.461 19 residues pruned to eliminate duplicates Z: 15 22.781 2.155 0.564 0.806 1.000 0.571 CB 1.383 Z: 9 18.872 2.029 0.806 0.900 1.000 0.875 CB 1.301 Z: 13 24.106 1.931 0.918 0.936 1.000 0.917 CB 1.308 Z: 8 18.621 2.149 0.766 0.910 1.000 0.857 CB 1.315 8 residues pruned to eliminate duplicates Z: 12 14.588 2.021 0.488 0.557 1.000 0.818 CB 1.384 Z: 13 18.682 2.052 0.275 0.868 1.000 0.667 CA 1.507 13 residues pruned to eliminate duplicates Z: 16 17.451 2.065 0.726 0.677 0.933 0.600 CB 1.151 16 residues pruned to eliminate duplicates Z: 8 15.803 2.318 0.218 0.875 1.000 0.714 CA 1.538 Z: 11 22.569 2.152 0.684 0.899 1.000 0.600 CA 1.408 11 residues pruned to eliminate duplicates Z: 11 20.764 2.322 0.585 0.868 1.000 0.600 CB 1.305 8 residues pruned to eliminate duplicates Z: 27 27.810 2.282 0.707 0.540 0.923 0.615 CA 1.459 27 residues pruned to eliminate duplicates Z: 12 14.898 2.048 0.408 0.644 1.000 0.727 CB 1.362 15 residues pruned to eliminate duplicates Z: 31 26.845 2.116 0.753 0.615 0.900 0.467 CB 1.317 22 residues pruned to eliminate duplicates Z: 21 28.546 1.989 0.591 0.883 1.000 0.750 CB 1.459 21 residues pruned to eliminate duplicates Z: 15 25.110 2.249 0.519 0.846 0.929 0.500 CA 1.572 15 residues pruned to eliminate duplicates Z: 29 34.212 2.196 0.757 0.620 1.000 0.679 CA 1.495 29 residues pruned to eliminate duplicates Z: 19 29.562 2.130 0.672 0.923 0.889 0.611 CB 1.547 19 residues pruned to eliminate duplicates Z: 10 5.365 1.943 0.339 0.780 0.667 0.556 CB 0.805 10 residues pruned to eliminate duplicates Z: 7 6.983 1.736 0.249 0.688 1.000 0.667 CA 1.107 Z: 15 20.848 2.119 0.554 0.887 0.929 0.714 CB 1.314 15 residues pruned to eliminate duplicates Z: 25 19.935 2.150 0.594 0.613 0.833 0.625 CB 1.280 15 residues pruned to eliminate duplicates Z: 15 20.148 2.202 0.317 0.858 1.000 0.786 CA 1.367 15 residues pruned to eliminate duplicates Z: 8 14.766 2.061 0.915 0.717 0.857 0.857 CA 1.355 9 residues pruned to eliminate duplicates Z: 10 16.782 1.909 1.091 0.805 0.889 0.667 CB 1.208 Z: 6 7.703 1.968 0.126 0.783 1.000 1.000 CA 1.211 6 residues pruned to eliminate duplicates Z: 16 13.655 2.105 0.381 0.833 0.800 0.667 CB 1.137 16 residues pruned to eliminate duplicates Z: 10 17.975 2.174 0.635 0.722 0.889 0.778 CB 1.551 10 residues pruned to eliminate duplicates Z: 9 9.731 1.864 0.322 0.883 1.000 0.625 CB 1.009 9 residues pruned to eliminate duplicates Z: 52 38.992 2.082 0.626 0.699 0.961 0.569 CB 1.400 54 residues pruned to eliminate duplicates Z: 58 44.402 2.208 0.679 0.570 0.965 0.667 CA 1.537 23 residues pruned to eliminate duplicates Z: 10 12.465 2.127 0.279 0.718 0.889 0.667 CB 1.411 10 residues pruned to eliminate duplicates Z: 11 17.332 2.144 0.463 0.863 0.900 0.700 CB 1.424 11 residues pruned to eliminate duplicates Z: 15 16.189 1.938 0.164 0.907 1.000 0.857 CB 1.363 Z: 9 11.142 2.004 0.282 0.863 0.875 0.750 CB 1.286 9 residues pruned to eliminate duplicates Z: 21 23.678 2.059 0.398 0.886 0.900 0.650 CA 1.474 21 residues pruned to eliminate duplicates Z: 105 53.346 2.165 0.538 0.573 0.990 0.490 CB 1.478 61 residues pruned to eliminate duplicates Z: 10 17.870 1.913 0.724 0.856 1.000 0.667 CB 1.331 10 residues pruned to eliminate duplicates Z: 21 25.171 2.042 0.495 0.895 0.950 0.800 CB 1.391 20 residues pruned to eliminate duplicates Z: 21 25.513 2.073 0.775 0.885 0.800 0.250 CB 1.400 21 residues pruned to eliminate duplicates Z: 20 34.535 2.104 0.758 0.907 0.947 0.632 CB 1.606 20 residues pruned to eliminate duplicates Z: 19 36.138 2.172 0.787 0.936 1.000 0.611 CB 1.528 20 residues pruned to eliminate duplicates Z: 42 28.233 2.063 0.441 0.635 0.927 0.415 CB 1.410 30 residues pruned to eliminate duplicates Z: 11 9.579 1.713 0.424 0.784 0.800 0.600 CA 1.209 11 residues pruned to eliminate duplicates Z: 32 35.556 2.192 0.600 0.669 1.000 0.516 CA 1.559 32 residues pruned to eliminate duplicates Z: 11 20.743 2.076 0.656 0.923 1.000 1.000 CB 1.341 11 residues pruned to eliminate duplicates Z: 11 12.828 2.148 0.270 0.841 1.000 0.600 CB 1.109 11 residues pruned to eliminate duplicates Z: 19 28.785 2.055 0.610 0.885 1.000 0.833 CB 1.481 19 residues pruned to eliminate duplicates Z: 20 19.409 1.828 0.624 0.889 0.947 0.947 CB 1.140 19 residues pruned to eliminate duplicates Z: 13 22.742 1.898 0.899 0.938 1.000 0.833 CB 1.266 13 residues pruned to eliminate duplicates Z: 10 8.388 1.763 0.370 0.471 0.889 0.556 CB 1.342 Z: 19 25.777 2.103 0.485 0.916 0.944 0.778 CB 1.455 19 residues pruned to eliminate duplicates Z: 13 21.033 1.914 0.730 0.934 1.000 1.000 CB 1.278 13 residues pruned to eliminate duplicates Z: 49 35.290 2.166 0.536 0.549 0.979 0.583 CA 1.491 49 residues pruned to eliminate duplicates Z: 11 15.274 2.165 0.534 0.633 0.900 0.800 CB 1.425 11 residues pruned to eliminate duplicates Z: 8 11.847 1.961 0.554 0.629 1.000 0.714 CB 1.301 9 residues pruned to eliminate duplicates Z: 12 14.142 2.015 0.603 0.575 0.909 0.727 CB 1.351 11 residues pruned to eliminate duplicates Z: 9 13.274 1.975 0.609 0.839 0.875 0.625 CB 1.260 9 residues pruned to eliminate duplicates Z: 15 20.313 2.190 0.433 0.853 0.857 0.429 CA 1.492 15 residues pruned to eliminate duplicates Z: 10 16.563 2.130 0.278 0.871 1.000 0.556 CA 1.479 10 residues pruned to eliminate duplicates Z: 33 33.422 2.049 0.730 0.760 0.969 0.625 CB 1.366 33 residues pruned to eliminate duplicates Z: 32 26.634 2.181 0.404 0.620 0.903 0.581 CB 1.545 32 residues pruned to eliminate duplicates Z: 94 46.499 2.162 0.539 0.576 0.935 0.527 CB 1.439 94 residues pruned to eliminate duplicates Z: 7 9.603 2.114 0.117 0.880 1.000 1.000 CB 1.202 7 residues pruned to eliminate duplicates Z: 21 35.706 2.081 0.790 0.941 1.000 0.700 CB 1.487 21 residues pruned to eliminate duplicates Z: 34 35.588 2.078 0.743 0.711 0.939 0.606 CB 1.504 34 residues pruned to eliminate duplicates Z: 10 16.958 2.084 0.356 0.888 1.000 0.667 CA 1.441 10 residues pruned to eliminate duplicates Z: 50 38.104 2.145 0.751 0.694 0.878 0.551 CB 1.383 50 residues pruned to eliminate duplicates Z: 19 22.695 2.118 0.222 0.898 0.944 0.833 CA 1.566 19 residues pruned to eliminate duplicates Z: 15 30.001 2.217 0.690 0.902 1.000 0.643 CA 1.527 15 residues pruned to eliminate duplicates Z: 37 26.960 2.096 0.574 0.673 0.833 0.639 CB 1.393 37 residues pruned to eliminate duplicates Z: 11 16.932 2.143 0.543 0.630 0.900 0.900 CB 1.592 11 residues pruned to eliminate duplicates Z: 15 21.251 2.208 0.270 0.855 1.000 0.786 CA 1.494 15 residues pruned to eliminate duplicates Z: 9 12.181 1.988 0.254 0.905 1.000 0.875 CB 1.230 9 residues pruned to eliminate duplicates Z: 20 28.302 2.109 0.423 0.925 1.000 0.737 CB 1.519 20 residues pruned to eliminate duplicates Z: 21 30.436 2.029 0.719 0.893 0.950 0.650 CB 1.474 21 residues pruned to eliminate duplicates Z: 8 9.580 1.842 0.326 0.847 0.857 0.143 CB 1.284 8 residues pruned to eliminate duplicates Z: 19 30.355 2.129 0.713 0.916 0.944 0.611 CB 1.467 19 residues pruned to eliminate duplicates Z: 12 16.533 1.996 0.349 0.923 1.000 1.000 CB 1.301 12 residues pruned to eliminate duplicates Z: 20 29.857 2.140 0.579 0.924 0.947 0.789 CB 1.503 20 residues pruned to eliminate duplicates Z: 10 19.179 1.997 0.705 0.833 1.000 0.667 CA 1.409 10 residues pruned to eliminate duplicates Z: 21 25.769 2.019 0.490 0.884 1.000 0.700 CB 1.384 21 residues pruned to eliminate duplicates Z: 15 21.000 2.201 0.373 0.891 0.929 0.643 CA 1.438 15 residues pruned to eliminate duplicates Z: 105 51.702 2.163 0.590 0.570 0.942 0.519 CB 1.462 78 residues pruned to eliminate duplicates Z: 16 16.680 2.033 0.437 0.876 0.933 0.733 CB 1.148 16 residues pruned to eliminate duplicates Z: 10 14.989 2.061 0.332 0.837 1.000 0.889 CA 1.361 10 residues pruned to eliminate duplicates Z: 15 28.347 2.163 0.718 0.921 0.929 0.643 CB 1.545 15 residues pruned to eliminate duplicates Z: 80 43.624 2.174 0.559 0.589 0.937 0.658 CB 1.420 85 residues pruned to eliminate duplicates Z: 15 21.592 2.210 0.203 0.911 1.000 0.857 CA 1.538 15 residues pruned to eliminate duplicates Z: 20 28.368 2.106 0.492 0.931 0.947 0.684 CA 1.528 20 residues pruned to eliminate duplicates Z: 27 32.012 2.234 0.770 0.624 0.962 0.577 CA 1.470 27 residues pruned to eliminate duplicates Z: 10 15.049 2.011 1.005 0.679 0.889 0.556 CA 1.187 10 residues pruned to eliminate duplicates Z: 7 15.884 2.270 0.291 0.892 1.000 0.833 CA 1.590 7 residues pruned to eliminate duplicates Z: 80 39.546 2.142 0.454 0.560 0.962 0.658 CB 1.401 80 residues pruned to eliminate duplicates Z: 9 8.738 1.510 0.604 0.819 0.875 0.875 CA 1.105 Z: 59 33.796 2.137 0.547 0.584 0.966 0.621 CB 1.283 59 residues pruned to eliminate duplicates Z: 20 23.904 1.856 0.765 0.920 1.000 0.789 CB 1.179 19 residues pruned to eliminate duplicates Z: 11 9.925 1.842 0.656 0.624 0.800 0.800 CB 1.144 Z: 38 23.879 2.121 0.471 0.475 0.919 0.541 CA 1.405 38 residues pruned to eliminate duplicates Z: 11 15.951 2.109 0.730 0.626 0.900 0.800 CB 1.364 11 residues pruned to eliminate duplicates Z: 7 10.341 2.066 0.443 0.674 0.833 0.833 CA 1.447 7 residues pruned to eliminate duplicates Z: 9 14.220 2.025 0.785 0.679 0.875 0.750 CB 1.348 10 residues pruned to eliminate duplicates Z: 12 11.714 1.778 0.285 0.829 1.000 0.727 CB 1.163 12 residues pruned to eliminate duplicates Z: 35 25.261 2.094 0.381 0.556 0.941 0.471 CB 1.507 35 residues pruned to eliminate duplicates Z: 19 20.748 1.889 0.580 0.932 1.000 0.778 CB 1.144 19 residues pruned to eliminate duplicates Z: 9 11.602 1.985 0.299 0.782 1.000 0.625 CB 1.241 9 residues pruned to eliminate duplicates Z: 18 30.833 2.198 0.582 0.916 1.000 0.824 CB 1.519 18 residues pruned to eliminate duplicates Z: 6 4.244 1.710 0.352 0.757 0.800 0.600 CB 0.816 6 residues pruned to eliminate duplicates Z: 10 17.045 1.963 0.744 0.804 1.000 0.667 CA 1.273 10 residues pruned to eliminate duplicates Z: 11 10.718 1.982 0.319 0.571 0.900 0.700 CB 1.345 11 residues pruned to eliminate duplicates Z: 24 21.016 2.088 0.464 0.701 0.957 0.609 CB 1.249 24 residues pruned to eliminate duplicates Z: 15 12.113 1.727 0.556 0.802 0.857 0.429 CB 1.079 Z: 10 17.567 1.869 0.811 0.879 1.000 0.778 CA 1.254 9 residues pruned to eliminate duplicates Z: 20 33.535 2.095 0.758 0.922 1.000 0.684 CB 1.469 20 residues pruned to eliminate duplicates Z: 26 17.200 1.998 0.326 0.664 0.880 0.440 CB 1.267 26 residues pruned to eliminate duplicates Z: 81 44.413 2.115 0.613 0.603 0.938 0.613 CB 1.408 81 residues pruned to eliminate duplicates Z: 11 20.043 2.104 0.664 0.846 0.900 0.700 CB 1.494 11 residues pruned to eliminate duplicates Z: 14 13.309 2.170 0.093 0.924 0.923 0.923 CB 1.184 14 residues pruned to eliminate duplicates Z: 15 22.481 2.160 0.588 0.850 0.929 0.500 CA 1.397 15 residues pruned to eliminate duplicates Z: 17 22.689 2.069 0.391 0.900 1.000 0.750 CB 1.408 17 residues pruned to eliminate duplicates Z: 9 21.685 2.018 0.972 0.857 1.000 0.750 CA 1.419 10 residues pruned to eliminate duplicates Z: 17 18.504 2.212 0.362 0.588 0.938 0.625 CB 1.505 17 residues pruned to eliminate duplicates Z: 9 20.958 2.050 0.832 0.822 1.000 0.375 CB 1.493 10 residues pruned to eliminate duplicates Z: 16 15.603 1.899 0.231 0.891 0.933 0.667 CB 1.328 15 residues pruned to eliminate duplicates Z: 65 35.395 2.119 0.633 0.507 0.875 0.531 CB 1.451 65 residues pruned to eliminate duplicates Z: 20 31.254 2.070 0.762 0.907 0.895 0.474 CB 1.561 20 residues pruned to eliminate duplicates Z: 45 26.337 2.115 0.414 0.627 0.909 0.568 CB 1.296 29 residues pruned to eliminate duplicates Z: 119 53.518 2.181 0.575 0.557 0.966 0.661 CB 1.404 119 residues pruned to eliminate duplicates Z: 11 9.938 2.048 0.310 0.832 0.900 0.600 CB 0.977 11 residues pruned to eliminate duplicates Z: 15 27.787 2.196 0.602 0.883 1.000 0.571 CA 1.527 15 residues pruned to eliminate duplicates Z: 8 9.494 1.795 0.502 0.759 0.857 0.429 CB 1.234 9 residues pruned to eliminate duplicates Z: 108 53.065 2.184 0.600 0.579 0.953 0.636 CB 1.428 108 residues pruned to eliminate duplicates Z: 20 28.849 2.061 0.678 0.918 0.947 0.632 CB 1.425 20 residues pruned to eliminate duplicates Z: 8 11.874 2.095 0.291 0.872 1.000 0.857 CB 1.210 8 residues pruned to eliminate duplicates Z: 16 20.052 2.142 0.237 0.896 1.000 0.800 CB 1.400 16 residues pruned to eliminate duplicates Z: 21 26.658 2.024 0.517 0.915 0.950 0.850 CB 1.445 21 residues pruned to eliminate duplicates Z: 16 27.941 2.114 0.800 0.898 1.000 0.800 CB 1.356 16 residues pruned to eliminate duplicates Z: 28 27.074 2.134 0.602 0.614 0.926 0.593 CB 1.477 28 residues pruned to eliminate duplicates Z: 9 11.879 2.032 0.741 0.610 0.875 0.750 CB 1.222 Z: 34 24.740 2.111 0.646 0.627 0.909 0.667 CB 1.209 34 residues pruned to eliminate duplicates Z: 12 18.807 1.990 0.851 0.588 1.000 0.727 CA 1.415 Z: 12 16.151 2.005 0.712 0.635 0.909 0.727 CB 1.375 12 residues pruned to eliminate duplicates Z: 9 21.966 2.043 1.011 0.871 1.000 0.750 CB 1.379 9 residues pruned to eliminate duplicates Z: 11 8.834 1.750 0.755 0.780 0.800 0.400 CB 0.888 Z: 13 13.959 1.867 0.740 0.554 1.000 0.583 CA 1.176 13 residues pruned to eliminate duplicates Z: 15 20.767 2.175 0.348 0.902 1.000 0.857 CB 1.351 15 residues pruned to eliminate duplicates Z: 23 16.447 1.862 0.574 0.541 0.955 0.636 CB 1.205 9 residues pruned to eliminate duplicates Z: 6 2.500 1.405 0.060 0.596 0.800 0.600 CB 0.856 Z: 15 25.339 2.248 0.517 0.847 1.000 0.714 CA 1.474 15 residues pruned to eliminate duplicates Z: 20 33.764 2.103 0.847 0.916 0.947 0.526 CB 1.486 20 residues pruned to eliminate duplicates Z: 10 9.133 1.740 0.335 0.600 1.000 0.667 CA 1.192 Z: 62 39.353 2.211 0.594 0.572 0.918 0.623 CB 1.452 62 residues pruned to eliminate duplicates Z: 17 19.365 1.992 0.370 0.884 1.000 0.750 CB 1.281 17 residues pruned to eliminate duplicates Z: 20 31.367 2.091 0.737 0.945 0.947 0.684 CB 1.447 20 residues pruned to eliminate duplicates Z: 8 15.020 2.035 0.667 0.732 1.000 0.857 CB 1.358 8 residues pruned to eliminate duplicates Z: 14 21.877 1.979 0.719 0.923 0.923 0.538 CB 1.358 14 residues pruned to eliminate duplicates Z: 7 6.855 1.672 0.598 0.721 0.833 0.667 CA 1.030 7 residues pruned to eliminate duplicates Z: 10 23.139 2.277 0.660 0.898 1.000 0.667 CB 1.460 10 residues pruned to eliminate duplicates Z: 9 17.805 2.104 0.712 0.827 1.000 0.750 CA 1.317 9 residues pruned to eliminate duplicates Z: 18 20.293 1.906 0.603 0.914 1.000 0.882 CB 1.139 18 residues pruned to eliminate duplicates Z: 15 23.895 2.192 0.503 0.848 0.929 0.571 CA 1.549 15 residues pruned to eliminate duplicates Z: 16 17.534 1.905 0.336 0.902 1.000 0.667 CB 1.269 16 residues pruned to eliminate duplicates Z: 126 55.144 2.164 0.594 0.577 0.952 0.664 CB 1.393 126 residues pruned to eliminate duplicates Z: 14 18.203 1.755 0.770 0.710 1.000 0.538 CB 1.344 Z: 15 22.420 2.150 0.488 0.870 1.000 0.643 CA 1.367 15 residues pruned to eliminate duplicates Z: 6 11.326 1.853 0.707 0.886 1.000 0.800 CB 1.155 6 residues pruned to eliminate duplicates Z: 13 16.554 1.855 0.956 0.584 0.917 0.583 CA 1.325 12 residues pruned to eliminate duplicates Z: 123 55.170 2.199 0.568 0.562 0.926 0.680 CB 1.473 115 residues pruned to eliminate duplicates Z: 66 42.300 2.178 0.549 0.578 0.985 0.646 CB 1.465 66 residues pruned to eliminate duplicates Z: 123 56.024 2.188 0.556 0.566 0.934 0.648 CB 1.495 123 residues pruned to eliminate duplicates Z: 9 17.303 2.086 0.879 0.868 0.875 0.750 CA 1.303 12 residues pruned to eliminate duplicates Z: 9 15.640 2.084 0.608 0.816 0.875 0.625 CA 1.432 9 residues pruned to eliminate duplicates Z: 123 51.496 2.197 0.495 0.556 0.934 0.656 CB 1.439 123 residues pruned to eliminate duplicates Z: 9 17.820 2.157 0.325 0.900 1.000 0.500 CA 1.574 9 residues pruned to eliminate duplicates Z: 14 12.781 1.998 0.323 0.764 0.923 0.308 CB 1.149 14 residues pruned to eliminate duplicates Z: 24 14.487 1.849 0.577 0.553 0.913 0.565 CB 1.078 24 residues pruned to eliminate duplicates Z: 16 14.606 2.118 0.186 0.869 0.933 0.800 CB 1.175 16 residues pruned to eliminate duplicates Z: 18 33.109 2.239 0.789 0.921 0.941 0.412 CB 1.498 18 residues pruned to eliminate duplicates Z: 15 19.224 2.054 0.364 0.834 1.000 0.643 CB 1.375 15 residues pruned to eliminate duplicates Z: 10 15.467 1.990 0.694 0.765 0.889 0.556 CA 1.360 10 residues pruned to eliminate duplicates Z: 19 28.892 2.150 0.432 0.920 1.000 0.889 CB 1.558 19 residues pruned to eliminate duplicates Z: 9 14.174 2.114 0.627 0.802 0.875 0.875 CB 1.279 9 residues pruned to eliminate duplicates Z: 79 36.797 2.054 0.600 0.571 0.910 0.551 CB 1.300 74 residues pruned to eliminate duplicates Z: 37 37.044 2.086 0.691 0.691 0.972 0.583 CB 1.512 37 residues pruned to eliminate duplicates Z: 14 22.948 2.211 0.473 0.927 0.923 0.846 CA 1.484 14 residues pruned to eliminate duplicates Z: 45 28.817 2.136 0.514 0.513 0.886 0.477 CA 1.496 45 residues pruned to eliminate duplicates Z: 43 27.732 2.107 0.428 0.512 0.929 0.524 CA 1.513 43 residues pruned to eliminate duplicates Z: 61 32.996 2.109 0.590 0.579 0.917 0.583 CB 1.284 61 residues pruned to eliminate duplicates Z: 10 12.758 1.952 0.795 0.651 0.889 0.556 CB 1.186 10 residues pruned to eliminate duplicates Z: 17 17.440 2.034 0.446 0.848 0.938 0.750 CB 1.173 17 residues pruned to eliminate duplicates Z: 10 18.671 2.221 0.622 0.923 1.000 0.778 CB 1.214 10 residues pruned to eliminate duplicates Z: 80 45.073 2.184 0.630 0.586 0.937 0.709 CB 1.399 80 residues pruned to eliminate duplicates Z: 18 34.047 2.190 0.709 0.921 1.000 0.647 CB 1.553 18 residues pruned to eliminate duplicates Z: 63 40.677 2.167 0.663 0.581 0.935 0.629 CB 1.418 63 residues pruned to eliminate duplicates Z: 9 12.446 2.241 0.142 0.879 0.875 0.875 CA 1.425 9 residues pruned to eliminate duplicates Z: 13 16.530 2.026 0.900 0.823 0.833 0.583 CB 1.124 13 residues pruned to eliminate duplicates Z: 22 28.586 2.258 0.816 0.620 0.952 0.524 CA 1.426 22 residues pruned to eliminate duplicates Z: 19 23.299 2.128 0.405 0.898 0.889 0.611 CB 1.478 19 residues pruned to eliminate duplicates Z: 19 14.285 1.911 0.514 0.631 0.778 0.500 CB 1.323 19 residues pruned to eliminate duplicates Z: 64 44.425 2.211 0.641 0.659 0.937 0.540 CB 1.421 60 residues pruned to eliminate duplicates Z: 9 9.803 1.613 0.613 0.726 1.000 0.375 CB 1.086 9 residues pruned to eliminate duplicates Z: 11 10.507 1.723 0.369 0.726 0.900 0.500 CA 1.276 11 residues pruned to eliminate duplicates Z: 111 49.665 2.171 0.493 0.552 0.955 0.664 CB 1.455 111 residues pruned to eliminate duplicates Z: 20 26.926 2.088 0.536 0.896 0.947 0.632 CB 1.457 20 residues pruned to eliminate duplicates Z: 13 6.838 1.514 0.411 0.795 0.833 0.333 CB 0.857 13 residues pruned to eliminate duplicates Z: 29 16.366 1.995 0.442 0.492 0.929 0.429 CB 1.167 29 residues pruned to eliminate duplicates Z: 17 16.143 1.833 0.443 0.916 0.875 0.625 CB 1.231 17 residues pruned to eliminate duplicates Z: 29 25.092 2.182 0.477 0.636 0.929 0.679 CB 1.395 29 residues pruned to eliminate duplicates Z: 56 28.425 2.104 0.514 0.513 0.891 0.618 CB 1.333 56 residues pruned to eliminate duplicates Z: 21 12.455 1.859 0.370 0.580 0.850 0.350 CB 1.192 25 residues pruned to eliminate duplicates Z: 15 16.263 2.066 0.366 0.801 0.929 0.429 CB 1.275 15 residues pruned to eliminate duplicates Z: 11 9.447 1.861 0.503 0.485 0.900 0.700 CB 1.204 11 residues pruned to eliminate duplicates Z: 45 30.124 2.086 0.653 0.464 0.909 0.523 CA 1.503 45 residues pruned to eliminate duplicates Z: 15 16.327 1.930 0.155 0.901 1.000 0.714 CB 1.397 13 residues pruned to eliminate duplicates Z: 23 11.915 1.797 0.548 0.533 0.909 0.636 CB 0.973 21 residues pruned to eliminate duplicates Z: 42 37.136 2.228 0.722 0.556 0.951 0.537 CB 1.505 42 residues pruned to eliminate duplicates Z: 90 47.783 2.199 0.552 0.568 0.966 0.719 CB 1.438 90 residues pruned to eliminate duplicates Z: 10 18.074 2.147 0.307 0.871 1.000 0.556 CA 1.566 10 residues pruned to eliminate duplicates Z: 11 6.604 1.704 0.113 0.771 0.700 0.300 CB 1.238 11 residues pruned to eliminate duplicates Z: 16 12.019 1.862 0.610 0.782 0.800 0.333 CB 1.009 16 residues pruned to eliminate duplicates Z: 6 8.487 1.856 0.230 0.764 1.000 0.600 CB 1.316 Z: 41 36.441 2.231 0.617 0.552 1.000 0.650 CA 1.518 41 residues pruned to eliminate duplicates Z: 9 5.879 1.768 0.881 0.426 0.625 0.500 CB 1.081 9 residues pruned to eliminate duplicates Z: 7 12.483 1.696 0.820 0.858 1.000 0.500 CB 1.215 7 residues pruned to eliminate duplicates Z: 11 17.351 1.857 0.655 0.861 1.000 0.500 CA 1.311 10 residues pruned to eliminate duplicates Z: 9 8.981 1.884 0.306 0.754 1.000 0.500 CA 1.029 9 residues pruned to eliminate duplicates Z: 9 17.732 2.058 0.368 0.899 1.000 1.000 CB 1.592 9 residues pruned to eliminate duplicates Z: 42 37.175 2.231 0.519 0.638 0.976 0.610 CB 1.544 42 residues pruned to eliminate duplicates Z: 10 13.118 1.978 0.260 0.809 0.889 0.778 CB 1.507 10 residues pruned to eliminate duplicates Z: 9 12.185 2.011 0.411 0.833 1.000 0.750 CB 1.140 9 residues pruned to eliminate duplicates Z: 15 27.519 2.199 0.663 0.877 1.000 0.643 CA 1.461 15 residues pruned to eliminate duplicates Z: 17 22.142 2.077 0.603 0.867 0.938 0.500 CB 1.297 17 residues pruned to eliminate duplicates Z: 16 27.348 2.112 0.835 0.910 1.000 0.800 CB 1.292 16 residues pruned to eliminate duplicates Z: 10 8.024 1.966 0.091 0.775 0.889 0.333 CB 1.100 10 residues pruned to eliminate duplicates Z: 8 8.510 1.846 0.359 0.853 1.000 0.857 CB 0.948 8 residues pruned to eliminate duplicates Z: 50 29.719 2.089 0.514 0.598 0.959 0.633 CB 1.274 50 residues pruned to eliminate duplicates Z: 17 15.723 1.830 0.369 0.860 0.875 0.562 CB 1.319 16 residues pruned to eliminate duplicates Z: 12 10.114 1.590 0.335 0.856 1.000 0.545 CB 1.060 12 residues pruned to eliminate duplicates Z: 21 32.126 2.039 0.762 0.904 1.000 0.700 CB 1.425 21 residues pruned to eliminate duplicates Z: 12 13.332 1.998 0.345 0.854 1.000 0.545 CB 1.105 12 residues pruned to eliminate duplicates Z: 79 40.834 2.088 0.614 0.601 0.949 0.628 CB 1.313 78 residues pruned to eliminate duplicates Z: 102 46.150 2.130 0.548 0.565 0.911 0.653 CB 1.435 102 residues pruned to eliminate duplicates Z: 8 10.185 1.880 0.565 0.808 0.857 0.429 CB 1.167 8 residues pruned to eliminate duplicates Z: 27 14.810 1.788 0.554 0.493 0.923 0.577 CB 1.140 27 residues pruned to eliminate duplicates Z: 48 32.966 2.195 0.408 0.602 0.936 0.660 CA 1.508 48 residues pruned to eliminate duplicates Z: 94 47.842 2.158 0.587 0.576 0.925 0.581 CB 1.455 94 residues pruned to eliminate duplicates Z: 66 36.763 2.136 0.526 0.579 0.938 0.600 CB 1.381 66 residues pruned to eliminate duplicates Z: 17 21.081 2.063 0.617 0.847 0.875 0.625 CB 1.340 17 residues pruned to eliminate duplicates Z: 16 13.627 1.862 0.351 0.815 0.800 0.667 CB 1.330 16 residues pruned to eliminate duplicates Z: 21 31.329 2.029 0.754 0.912 0.900 0.500 CB 1.549 21 residues pruned to eliminate duplicates Z: 12 14.556 2.017 0.468 0.610 1.000 0.727 CB 1.336 12 residues pruned to eliminate duplicates Z: 8 7.927 1.990 0.132 0.657 0.857 0.714 CB 1.340 8 residues pruned to eliminate duplicates Z: 8 11.051 2.115 0.336 0.881 1.000 1.000 CB 1.070 8 residues pruned to eliminate duplicates Z: 23 14.344 1.750 0.599 0.520 0.955 0.500 CB 1.123 23 residues pruned to eliminate duplicates Z: 8 12.801 2.096 0.477 0.874 0.857 0.714 CB 1.328 8 residues pruned to eliminate duplicates Z: 25 13.816 1.823 0.520 0.523 0.875 0.625 CB 1.137 23 residues pruned to eliminate duplicates Z: 59 43.382 2.164 0.684 0.628 0.966 0.672 CB 1.435 60 residues pruned to eliminate duplicates Z: 8 6.514 1.602 0.328 0.631 0.857 0.714 CB 1.194 Z: 7 11.250 1.904 0.436 0.803 1.000 0.833 CB 1.289 7 residues pruned to eliminate duplicates Z: 20 30.689 2.047 0.660 0.901 1.000 0.474 CB 1.480 20 residues pruned to eliminate duplicates Z: 6 9.385 1.947 0.707 0.558 0.800 0.800 CB 1.491 6 residues pruned to eliminate duplicates Z: 17 26.411 2.109 0.630 0.889 0.938 0.625 CB 1.475 17 residues pruned to eliminate duplicates Z: 17 17.570 1.838 0.463 0.904 0.938 0.562 CB 1.240 17 residues pruned to eliminate duplicates Z: 25 32.676 2.189 0.904 0.594 1.000 0.542 CA 1.463 25 residues pruned to eliminate duplicates Z: 23 13.770 1.776 0.463 0.550 0.909 0.591 CB 1.184 23 residues pruned to eliminate duplicates Z: 9 8.815 1.954 0.054 0.841 1.000 0.875 CB 1.129 9 residues pruned to eliminate duplicates 7 1.654 1.702 -0.037 0.147 0.667 0.500 CB 0.955 ? Z: 34 32.524 2.112 0.510 0.722 0.939 0.697 CB 1.546 34 residues pruned to eliminate duplicates Z: 11 7.629 1.861 0.139 0.767 0.800 0.600 CB 1.123 5 residues pruned to eliminate duplicates Z: 9 15.407 2.041 0.646 0.890 1.000 0.750 CA 1.166 9 residues pruned to eliminate duplicates Z: 17 22.241 1.873 0.684 0.909 0.938 0.688 CB 1.334 17 residues pruned to eliminate duplicates Z: 7 6.424 1.690 0.391 0.733 1.000 0.833 CB 0.904 Z: 11 10.111 2.043 0.443 0.816 0.800 0.500 CB 1.030 11 residues pruned to eliminate duplicates Z: 7 9.005 2.057 0.137 0.798 1.000 0.667 CB 1.211 7 residues pruned to eliminate duplicates Z: 41 29.521 2.086 0.529 0.661 0.950 0.600 CB 1.328 41 residues pruned to eliminate duplicates Z: 23 32.982 2.047 0.733 0.832 1.000 0.500 CA 1.488 21 residues pruned to eliminate duplicates Z: 27 16.354 1.875 0.510 0.589 0.846 0.346 CB 1.230 27 residues pruned to eliminate duplicates Z: 12 20.810 1.868 0.939 0.878 1.000 0.909 CB 1.257 12 residues pruned to eliminate duplicates Z: 8 6.797 1.828 0.251 0.862 0.857 0.571 CB 0.962 8 residues pruned to eliminate duplicates Z: 28 25.563 1.906 0.978 0.719 0.889 0.296 CB 1.205 28 residues pruned to eliminate duplicates Z: 27 12.674 1.797 0.587 0.424 0.846 0.577 CB 1.115 27 residues pruned to eliminate duplicates Z: 7 3.334 1.995 -0.301 0.701 0.833 0.500 CB 0.975 7 residues pruned to eliminate duplicates Z: 9 14.637 1.991 0.684 0.891 1.000 0.875 CB 1.110 9 residues pruned to eliminate duplicates Z: 20 14.391 1.854 0.418 0.585 0.895 0.421 CA 1.293 20 residues pruned to eliminate duplicates Z: 9 19.769 1.964 0.852 0.863 1.000 0.625 CB 1.410 9 residues pruned to eliminate duplicates Z: 17 22.031 1.871 0.587 0.890 1.000 0.750 CB 1.334 17 residues pruned to eliminate duplicates Z: 9 18.290 2.078 0.693 0.848 1.000 0.625 CA 1.363 9 residues pruned to eliminate duplicates Z: 20 33.736 2.088 0.841 0.919 1.000 0.421 CB 1.418 20 residues pruned to eliminate duplicates Z: 28 15.800 1.920 0.568 0.525 0.889 0.481 CB 1.109 28 residues pruned to eliminate duplicates Z: 80 42.946 2.173 0.576 0.582 0.911 0.671 CB 1.432 80 residues pruned to eliminate duplicates Z: 10 13.685 1.850 0.736 0.831 1.000 0.889 CB 1.066 10 residues pruned to eliminate duplicates Z: 6 9.998 2.033 0.452 0.493 1.000 0.800 CA 1.526 6 residues pruned to eliminate duplicates Z: 7 13.519 1.912 0.810 0.610 1.000 0.667 CA 1.437 8 residues pruned to eliminate duplicates Z: 32 25.514 2.121 0.499 0.618 0.935 0.548 CB 1.378 32 residues pruned to eliminate duplicates Z: 107 48.632 2.171 0.526 0.533 0.925 0.613 CB 1.492 107 residues pruned to eliminate duplicates Z: 49 30.943 2.134 0.524 0.605 0.896 0.604 CB 1.388 49 residues pruned to eliminate duplicates Z: 39 29.838 2.153 0.583 0.655 0.842 0.605 CB 1.460 39 residues pruned to eliminate duplicates Z: 48 34.387 2.116 0.586 0.605 0.957 0.638 CB 1.413 48 residues pruned to eliminate duplicates Z: 102 50.731 2.151 0.685 0.560 0.901 0.624 CB 1.458 102 residues pruned to eliminate duplicates Z: 17 22.106 2.079 0.754 0.856 0.875 0.688 CB 1.277 17 residues pruned to eliminate duplicates Z: 7 6.081 1.971 0.322 0.649 0.833 0.500 CB 0.995 7 residues pruned to eliminate duplicates Z: 19 17.605 1.889 0.412 0.897 1.000 0.944 CB 1.113 19 residues pruned to eliminate duplicates Z: 16 18.355 1.927 0.313 0.904 1.000 0.667 CB 1.335 16 residues pruned to eliminate duplicates Z: 34 32.432 2.212 0.653 0.494 0.970 0.606 CA 1.602 34 residues pruned to eliminate duplicates Z: 6 5.200 1.769 0.449 0.602 1.000 0.800 CA 0.823 6 residues pruned to eliminate duplicates Z: 27 13.429 1.806 0.615 0.464 0.769 0.462 CB 1.217 27 residues pruned to eliminate duplicates Z: 9 9.539 1.936 0.544 0.796 0.750 0.625 CA 1.161 9 residues pruned to eliminate duplicates Z: 13 16.364 1.995 0.467 0.859 1.000 0.750 CB 1.188 13 residues pruned to eliminate duplicates Z: 11 14.811 2.130 0.514 0.638 0.900 0.900 CB 1.418 11 residues pruned to eliminate duplicates Z: 6 8.132 2.078 0.012 0.749 1.000 0.800 CB 1.384 6 residues pruned to eliminate duplicates Z: 11 15.663 2.091 0.369 0.720 1.000 0.800 CB 1.418 11 residues pruned to eliminate duplicates Z: 10 14.662 1.979 0.496 0.773 0.889 0.889 CB 1.459 10 residues pruned to eliminate duplicates Z: 10 15.053 1.889 0.834 0.817 0.889 0.778 CA 1.237 10 residues pruned to eliminate duplicates Z: 8 10.573 2.046 0.798 0.822 0.714 0.714 CB 1.150 8 residues pruned to eliminate duplicates Z: 14 11.222 1.958 0.427 0.615 0.846 0.769 CB 1.180 14 residues pruned to eliminate duplicates Z: 19 35.092 2.133 0.887 0.950 0.944 0.444 CB 1.501 19 residues pruned to eliminate duplicates Z: 81 42.763 2.156 0.563 0.570 0.938 0.600 CB 1.415 81 residues pruned to eliminate duplicates Z: 10 21.400 2.091 0.651 0.895 1.000 0.889 CA 1.481 10 residues pruned to eliminate duplicates Z: 23 13.250 1.763 0.522 0.515 0.909 0.545 CB 1.140 23 residues pruned to eliminate duplicates Z: 6 6.117 1.622 0.347 0.749 1.000 1.000 CB 1.003 6 residues pruned to eliminate duplicates Z: 9 12.576 1.944 0.358 0.856 1.000 0.875 CB 1.242 9 residues pruned to eliminate duplicates Z: 22 20.348 2.122 0.412 0.702 0.905 0.524 CB 1.363 22 residues pruned to eliminate duplicates Z: 24 11.382 1.725 0.519 0.532 0.913 0.652 CB 0.962 24 residues pruned to eliminate duplicates Z: 16 20.321 1.838 0.508 0.942 1.000 0.667 CB 1.312 17 residues pruned to eliminate duplicates Z: 48 32.330 2.101 0.553 0.624 0.979 0.617 CB 1.313 48 residues pruned to eliminate duplicates Z: 118 53.812 2.197 0.585 0.563 0.949 0.650 CB 1.416 118 residues pruned to eliminate duplicates Z: 6 8.201 2.078 0.404 0.822 0.800 0.400 CB 1.189 6 residues pruned to eliminate duplicates Z: 23 13.453 1.774 0.512 0.546 0.909 0.682 CB 1.125 23 residues pruned to eliminate duplicates Z: 8 9.699 2.037 0.328 0.768 1.000 0.714 CA 1.069 8 residues pruned to eliminate duplicates Z: 8 7.122 1.884 0.327 0.772 0.714 0.429 CA 1.185 8 residues pruned to eliminate duplicates Z: 6 5.563 1.746 0.335 0.547 0.800 0.800 C 1.275 6 residues pruned to eliminate duplicates Z: 11 13.094 1.784 0.468 0.847 1.000 0.900 CA 1.174 11 residues pruned to eliminate duplicates Z: 9 10.090 1.894 0.263 0.862 1.000 0.875 CB 1.095 9 residues pruned to eliminate duplicates Z: 17 26.740 2.196 0.659 0.878 0.875 0.750 CB 1.521 17 residues pruned to eliminate duplicates Z: 65 38.271 2.143 0.553 0.513 0.984 0.656 CB 1.441 65 residues pruned to eliminate duplicates Z: 9 16.548 2.102 0.229 0.883 1.000 0.625 CB 1.637 9 residues pruned to eliminate duplicates Z: 11 15.831 2.172 0.415 0.665 0.900 0.800 CB 1.554 11 residues pruned to eliminate duplicates Z: 80 44.038 2.178 0.597 0.569 0.911 0.646 CB 1.462 80 residues pruned to eliminate duplicates Z: 15 19.415 1.844 0.533 0.943 0.929 0.857 CB 1.371 15 residues pruned to eliminate duplicates Z: 10 14.071 2.022 0.425 0.888 0.889 0.667 CB 1.319 10 residues pruned to eliminate duplicates Z: 8 21.555 2.224 0.537 0.876 1.000 0.857 CB 1.733 8 residues pruned to eliminate duplicates Z: 8 9.419 1.846 0.431 0.829 1.000 0.571 CB 1.014 8 residues pruned to eliminate duplicates Z: 9 6.983 2.044 0.288 0.484 0.875 0.625 CB 1.089 9 residues pruned to eliminate duplicates Z: 11 11.757 2.210 0.305 0.814 0.800 0.700 CB 1.226 11 residues pruned to eliminate duplicates Z: 13 6.715 1.501 0.303 0.744 0.833 0.417 CB 0.957 13 residues pruned to eliminate duplicates Z: 13 9.330 1.799 0.517 0.498 0.750 0.583 CB 1.318 13 residues pruned to eliminate duplicates Z: 7 9.949 2.066 0.205 0.703 0.833 0.667 CB 1.627 7 residues pruned to eliminate duplicates Z: 8 6.656 1.822 0.146 0.791 0.714 0.571 CB 1.307 7 residues pruned to eliminate duplicates Z: 7 3.880 1.717 0.072 0.367 0.833 0.667 CA 1.192 7 residues pruned to eliminate duplicates Z: 16 28.622 2.131 0.846 0.917 1.000 0.667 CB 1.325 16 residues pruned to eliminate duplicates Z: 9 18.670 1.995 1.102 0.866 0.875 0.500 CB 1.317 9 residues pruned to eliminate duplicates Z: 20 32.907 2.038 0.878 0.908 0.947 0.526 CB 1.479 20 residues pruned to eliminate duplicates Z: 10 5.684 1.690 0.229 0.667 0.889 0.667 CB 0.879 10 residues pruned to eliminate duplicates Z: 22 8.322 1.704 0.480 0.397 0.857 0.524 CB 0.936 22 residues pruned to eliminate duplicates Z: 16 13.548 1.808 0.085 0.882 0.933 0.800 CB 1.382 16 residues pruned to eliminate duplicates Z: 80 40.635 2.146 0.585 0.547 0.937 0.658 CB 1.370 80 residues pruned to eliminate duplicates Z: 20 21.598 1.860 0.625 0.919 1.000 0.895 CB 1.156 20 residues pruned to eliminate duplicates Z: 7 10.775 1.924 0.577 0.839 1.000 0.333 CB 1.083 7 residues pruned to eliminate duplicates Z: 39 23.121 2.046 0.381 0.651 0.842 0.553 CB 1.370 39 residues pruned to eliminate duplicates Z: 11 12.056 2.106 0.253 0.855 1.000 0.700 CB 1.067 11 residues pruned to eliminate duplicates Z: 10 10.188 1.846 0.510 0.761 0.778 0.444 CB 1.242 10 residues pruned to eliminate duplicates Z: 12 16.450 2.102 0.718 0.701 0.909 0.727 CB 1.258 12 residues pruned to eliminate duplicates Z: 8 13.461 2.043 0.675 0.916 1.000 0.714 CB 1.050 8 residues pruned to eliminate duplicates Z: 11 12.703 1.892 0.364 0.839 0.900 0.600 CA 1.291 11 residues pruned to eliminate duplicates Z: 24 19.373 1.914 0.654 0.647 0.913 0.609 CB 1.218 24 residues pruned to eliminate duplicates Z: 110 48.336 2.099 0.566 0.583 0.917 0.569 CB 1.417 110 residues pruned to eliminate duplicates Z: 34 17.843 1.947 0.430 0.570 0.909 0.636 CB 1.147 33 residues pruned to eliminate duplicates Z: 27 17.780 2.091 0.385 0.613 0.808 0.500 CB 1.339 27 residues pruned to eliminate duplicates Z: 79 42.669 2.113 0.729 0.535 0.949 0.692 CB 1.348 79 residues pruned to eliminate duplicates Z: 33 30.007 1.981 0.867 0.735 0.875 0.469 CB 1.328 32 residues pruned to eliminate duplicates Z: 23 31.676 2.068 0.861 0.836 0.955 0.545 CB 1.376 23 residues pruned to eliminate duplicates Z: 8 6.355 1.902 0.275 0.607 0.714 0.429 CA 1.252 8 residues pruned to eliminate duplicates Z: 6 4.794 1.892 -0.034 0.717 1.000 0.800 CB 0.964 6 residues pruned to eliminate duplicates Z: 11 13.173 2.130 0.269 0.626 0.900 0.700 CB 1.520 11 residues pruned to eliminate duplicates Z: 45 30.118 2.088 0.577 0.627 0.932 0.636 CB 1.313 45 residues pruned to eliminate duplicates Z: 89 46.276 2.160 0.596 0.551 0.932 0.670 CB 1.461 89 residues pruned to eliminate duplicates Z: 15 14.402 1.866 0.344 0.873 0.786 0.786 CB 1.422 15 residues pruned to eliminate duplicates Z: 9 12.611 2.029 0.645 0.736 0.875 0.750 CB 1.235 8 residues pruned to eliminate duplicates Z: 6 5.454 1.954 -0.099 0.829 0.800 0.800 CB 1.303 6 residues pruned to eliminate duplicates Z: 11 8.812 1.878 0.105 0.790 0.900 0.400 CB 1.157 11 residues pruned to eliminate duplicates Z: 9 21.781 2.075 0.502 0.918 1.000 0.500 CB 1.743 9 residues pruned to eliminate duplicates Z: 21 33.080 1.997 0.946 0.921 1.000 0.650 CB 1.340 21 residues pruned to eliminate duplicates Z: 15 16.133 2.112 0.356 0.805 1.000 0.571 CB 1.154 15 residues pruned to eliminate duplicates Z: 62 38.638 2.138 0.602 0.606 0.951 0.656 CB 1.373 62 residues pruned to eliminate duplicates Z: 15 23.205 2.180 0.377 0.909 1.000 0.929 CA 1.466 15 residues pruned to eliminate duplicates Z: 20 34.122 2.071 0.793 0.906 1.000 0.684 CB 1.499 20 residues pruned to eliminate duplicates Z: 9 23.396 2.136 0.662 0.901 1.000 0.750 CB 1.664 9 residues pruned to eliminate duplicates Z: 20 34.581 2.142 0.703 0.926 1.000 0.684 CB 1.524 20 residues pruned to eliminate duplicates Z: 61 31.384 2.084 0.550 0.501 0.867 0.550 CA 1.445 61 residues pruned to eliminate duplicates Z: 9 4.091 1.663 0.363 0.248 0.750 0.750 CB 1.137 Z: 102 43.674 2.113 0.521 0.537 0.931 0.604 CB 1.401 109 residues pruned to eliminate duplicates Z: 13 14.010 1.921 0.137 0.899 1.000 0.750 CB 1.323 13 residues pruned to eliminate duplicates Z: 8 2.113 1.303 0.230 0.482 0.714 0.571 CB 0.711 Z: 6 3.461 1.601 -0.016 0.741 0.800 0.800 CB 0.990 Z: 78 41.671 2.166 0.630 0.496 0.935 0.597 CB 1.444 78 residues pruned to eliminate duplicates Z: 9 8.709 1.738 0.726 0.768 0.750 0.375 CB 1.079 9 residues pruned to eliminate duplicates Z: 58 36.830 2.090 0.452 0.666 0.912 0.667 CB 1.511 58 residues pruned to eliminate duplicates Z: 18 20.499 1.927 0.481 0.925 1.000 0.824 CB 1.222 18 residues pruned to eliminate duplicates Z: 7 2.317 1.299 0.509 0.331 0.833 0.667 CA 0.696 Z: 10 11.115 1.772 0.549 0.651 0.889 0.667 CA 1.320 10 residues pruned to eliminate duplicates Z: 31 21.528 2.065 0.506 0.444 0.900 0.533 CB 1.488 31 residues pruned to eliminate duplicates Z: 12 12.891 2.039 0.402 0.605 0.909 0.727 CB 1.353 12 residues pruned to eliminate duplicates Z: 6 6.807 1.940 0.360 0.835 0.800 0.800 CB 1.080 6 residues pruned to eliminate duplicates Z: 42 25.760 2.101 0.502 0.469 0.927 0.561 CA 1.419 42 residues pruned to eliminate duplicates Z: 47 32.432 2.145 0.576 0.609 0.957 0.630 CB 1.333 47 residues pruned to eliminate duplicates Z: 13 18.041 1.899 0.667 0.908 0.917 0.500 CB 1.275 13 residues pruned to eliminate duplicates Z: 7 2.820 1.431 -0.180 0.423 1.000 0.667 C 1.063 Z: 9 11.398 1.933 0.952 0.705 0.875 0.625 CB 1.012 9 residues pruned to eliminate duplicates Z: 15 14.514 1.827 0.313 0.893 0.929 0.929 CB 1.250 15 residues pruned to eliminate duplicates Z: 26 22.322 1.984 0.703 0.587 0.880 0.520 CB 1.382 26 residues pruned to eliminate duplicates Z: 17 14.554 1.843 0.232 0.866 0.938 0.688 CB 1.252 17 residues pruned to eliminate duplicates Z: 9 9.614 1.967 0.240 0.831 0.875 0.625 CA 1.197 9 residues pruned to eliminate duplicates Z: 30 21.066 1.955 0.348 0.635 0.931 0.586 CB 1.405 30 residues pruned to eliminate duplicates Z: 21 30.639 2.000 0.725 0.905 1.000 0.600 CB 1.414 21 residues pruned to eliminate duplicates Z: 20 28.160 2.088 0.707 0.909 0.895 0.632 CB 1.437 20 residues pruned to eliminate duplicates Z: 13 17.508 1.859 0.508 0.930 1.000 0.917 CB 1.261 13 residues pruned to eliminate duplicates Z: 10 15.146 1.892 0.649 0.808 1.000 0.778 CB 1.237 9 residues pruned to eliminate duplicates Z: 8 18.223 2.186 0.643 0.893 1.000 1.000 CB 1.377 8 residues pruned to eliminate duplicates Z: 11 7.678 1.926 0.187 0.688 0.800 0.500 CB 1.118 11 residues pruned to eliminate duplicates Z: 13 12.837 1.993 0.133 0.904 0.917 0.833 CB 1.275 13 residues pruned to eliminate duplicates Z: 6 5.767 1.508 0.516 0.749 1.000 0.400 CB 0.903 6 residues pruned to eliminate duplicates Z: 19 26.702 2.135 0.410 0.911 1.000 0.833 CB 1.482 19 residues pruned to eliminate duplicates Z: 9 13.314 1.993 0.481 0.762 1.000 0.625 CA 1.264 9 residues pruned to eliminate duplicates Z: 10 11.142 1.918 0.546 0.795 0.889 0.778 CB 1.089 10 residues pruned to eliminate duplicates Z: 7 3.022 1.650 -0.058 0.523 0.833 0.833 CB 0.931 Z: 20 24.867 1.961 0.758 0.911 0.895 0.316 CB 1.311 20 residues pruned to eliminate duplicates Z: 15 17.203 2.214 0.137 0.924 0.929 0.929 CB 1.381 15 residues pruned to eliminate duplicates Z: 17 16.864 1.946 0.460 0.857 1.000 0.562 CB 1.094 17 residues pruned to eliminate duplicates Z: 21 29.926 2.019 0.759 0.910 0.950 0.500 CB 1.407 20 residues pruned to eliminate duplicates Z: 9 21.007 1.986 0.653 0.903 1.000 0.875 CB 1.612 9 residues pruned to eliminate duplicates Z: 14 24.776 2.130 0.565 0.923 1.000 1.000 CB 1.449 14 residues pruned to eliminate duplicates Z: 8 12.236 1.792 0.489 0.875 1.000 0.571 CB 1.260 8 residues pruned to eliminate duplicates Z: 43 25.712 2.114 0.417 0.622 0.976 0.643 CB 1.209 43 residues pruned to eliminate duplicates Z: 9 17.450 2.242 0.415 0.880 1.000 1.000 CA 1.409 9 residues pruned to eliminate duplicates Z: 15 23.205 2.141 0.524 0.898 1.000 0.857 CB 1.360 15 residues pruned to eliminate duplicates Z: 11 14.974 1.799 0.314 0.849 1.000 0.600 CB 1.485 11 residues pruned to eliminate duplicates Z: 14 14.471 2.150 0.385 0.765 0.923 0.615 CB 1.154 14 residues pruned to eliminate duplicates Z: 9 8.830 1.918 0.290 0.777 0.875 0.625 CA 1.129 9 residues pruned to eliminate duplicates Z: 16 22.495 1.927 0.555 0.904 1.000 0.800 CB 1.381 16 residues pruned to eliminate duplicates Z: 8 4.554 1.745 0.551 0.471 0.857 0.571 CB 0.764 Z: 8 4.178 1.450 0.236 0.518 0.857 0.571 CB 1.010 Z: 16 16.924 2.113 0.090 0.885 1.000 0.800 CB 1.370 16 residues pruned to eliminate duplicates Z: 15 16.387 2.083 0.290 0.852 0.929 0.857 CB 1.298 15 residues pruned to eliminate duplicates Z: 11 10.412 1.891 0.246 0.798 0.900 0.800 CB 1.197 11 residues pruned to eliminate duplicates Z: 13 12.028 1.928 0.479 0.556 0.917 0.750 CB 1.258 13 residues pruned to eliminate duplicates Z: 17 12.742 1.994 0.294 0.596 0.938 0.500 CB 1.201 17 residues pruned to eliminate duplicates Z: 10 12.734 1.927 0.308 0.855 1.000 0.444 CA 1.242 10 residues pruned to eliminate duplicates Z: 45 35.367 2.144 0.660 0.637 0.977 0.614 CB 1.348 45 residues pruned to eliminate duplicates Z: 9 11.255 1.746 0.725 0.868 0.875 0.500 CB 1.104 9 residues pruned to eliminate duplicates Z: 24 18.767 2.045 0.494 0.634 0.870 0.435 CB 1.299 24 residues pruned to eliminate duplicates Z: 9 12.896 1.736 0.555 0.874 1.000 0.750 CB 1.228 9 residues pruned to eliminate duplicates Z: 7 13.251 1.960 0.708 0.730 0.833 0.667 CA 1.576 7 residues pruned to eliminate duplicates Z: 16 16.675 2.012 0.247 0.904 1.000 0.733 CB 1.223 16 residues pruned to eliminate duplicates Z: 78 39.183 2.070 0.610 0.597 0.948 0.610 CB 1.288 78 residues pruned to eliminate duplicates Z: 7 7.474 1.648 0.433 0.822 0.833 0.667 CA 1.173 Z: 9 3.291 1.673 0.288 0.315 0.750 0.625 N 0.884 Z: 73 42.286 2.129 0.579 0.593 0.972 0.625 CB 1.395 73 residues pruned to eliminate duplicates Z: 19 29.588 2.070 0.620 0.923 1.000 0.556 CB 1.461 19 residues pruned to eliminate duplicates Z: 6 6.982 1.706 0.540 0.578 0.800 0.800 CB 1.377 6 residues pruned to eliminate duplicates Z: 14 10.301 1.766 0.295 0.765 1.000 0.462 CB 0.988 11 residues pruned to eliminate duplicates Z: 8 13.249 1.851 0.617 0.875 1.000 0.286 CB 1.216 8 residues pruned to eliminate duplicates Z: 10 5.505 1.880 0.160 0.815 0.556 0.444 CB 1.151 10 residues pruned to eliminate duplicates Z: 9 10.162 1.838 0.186 0.826 0.875 0.625 CA 1.421 9 residues pruned to eliminate duplicates Z: 17 22.488 2.004 0.649 0.865 0.938 0.500 CB 1.329 17 residues pruned to eliminate duplicates Z: 7 4.618 1.431 0.452 0.839 0.833 0.667 CB 0.813 7 residues pruned to eliminate duplicates Z: 6 5.259 1.824 0.050 0.853 1.000 0.800 CB 0.908 6 residues pruned to eliminate duplicates Z: 30 25.926 2.063 0.670 0.552 0.931 0.621 CB 1.427 30 residues pruned to eliminate duplicates Z: 17 20.672 2.079 0.468 0.875 0.938 0.688 CB 1.314 17 residues pruned to eliminate duplicates Z: 12 13.790 1.885 0.422 0.606 1.000 0.727 CA 1.402 12 residues pruned to eliminate duplicates Z: 16 25.594 2.251 0.652 0.708 1.000 0.600 CA 1.472 16 residues pruned to eliminate duplicates Z: 16 18.367 2.152 0.556 0.641 0.867 0.733 CB 1.433 16 residues pruned to eliminate duplicates Z: 16 15.927 2.012 0.341 0.752 0.933 0.533 CB 1.304 16 residues pruned to eliminate duplicates Z: 9 8.615 1.775 0.210 0.874 0.875 0.875 CB 1.180 9 residues pruned to eliminate duplicates Z: 8 6.293 1.906 0.033 0.791 0.714 0.429 CA 1.310 8 residues pruned to eliminate duplicates Z: 23 17.965 1.983 0.464 0.512 0.955 0.727 CB 1.366 23 residues pruned to eliminate duplicates Z: 10 14.673 1.923 0.799 0.735 1.000 0.667 CA 1.146 10 residues pruned to eliminate duplicates Z: 13 22.672 1.904 0.768 0.938 1.000 0.417 CB 1.352 13 residues pruned to eliminate duplicates Z: 50 33.073 2.147 0.655 0.519 0.939 0.551 CB 1.390 50 residues pruned to eliminate duplicates Z: 7 11.123 2.107 0.172 0.849 1.000 1.000 CB 1.364 7 residues pruned to eliminate duplicates Z: 9 19.765 2.110 0.462 0.877 1.000 0.875 CB 1.645 9 residues pruned to eliminate duplicates Z: 19 32.299 2.116 0.911 0.935 0.944 0.444 CB 1.389 19 residues pruned to eliminate duplicates Z: 113 57.836 2.212 0.623 0.563 0.982 0.607 CB 1.459 113 residues pruned to eliminate duplicates Z: 10 14.404 2.233 0.351 0.808 1.000 0.778 CA 1.216 10 residues pruned to eliminate duplicates Z: 17 33.313 2.122 0.975 0.929 1.000 0.500 CB 1.390 17 residues pruned to eliminate duplicates Z: 26 32.436 2.050 0.633 0.788 0.960 0.480 CB 1.567 26 residues pruned to eliminate duplicates Z: 15 19.748 1.945 0.462 0.911 1.000 0.857 CB 1.314 15 residues pruned to eliminate duplicates Z: 7 13.850 1.887 0.594 0.880 1.000 0.833 CB 1.362 7 residues pruned to eliminate duplicates Z: 28 14.058 1.918 0.247 0.598 0.889 0.667 CB 1.159 28 residues pruned to eliminate duplicates Z: 102 47.256 2.121 0.536 0.585 0.941 0.653 CB 1.415 102 residues pruned to eliminate duplicates Z: 12 8.987 1.750 0.223 0.821 0.909 0.545 CB 1.054 12 residues pruned to eliminate duplicates Z: 13 12.919 1.925 0.570 0.580 0.917 0.667 CB 1.246 13 residues pruned to eliminate duplicates Z: 7 3.697 1.406 0.737 0.419 0.833 0.500 CB 0.807 7 residues pruned to eliminate duplicates Z: 19 15.964 1.803 0.467 0.884 1.000 0.833 CB 1.028 19 residues pruned to eliminate duplicates Z: 6 6.051 1.654 0.338 0.618 0.800 0.600 CB 1.367 Z: 8 10.695 1.788 0.400 0.826 1.000 0.571 CA 1.219 Z: 92 47.636 2.172 0.559 0.596 0.923 0.648 CB 1.458 92 residues pruned to eliminate duplicates Z: 22 37.671 2.083 0.938 0.868 0.952 0.810 CB 1.562 22 residues pruned to eliminate duplicates Z: 17 17.846 2.022 0.350 0.850 0.938 0.750 CB 1.292 17 residues pruned to eliminate duplicates Z: 7 3.854 1.650 0.104 0.639 0.667 0.333 C 1.137 7 residues pruned to eliminate duplicates Z: 14 20.059 1.781 0.819 0.886 1.000 0.538 CB 1.239 14 residues pruned to eliminate duplicates Z: 7 7.638 1.638 0.341 0.674 1.000 0.333 CA 1.209 8 residues pruned to eliminate duplicates Z: 7 10.926 1.749 0.804 0.836 0.833 0.500 CA 1.269 22 residues pruned to eliminate duplicates Z: 10 24.926 1.989 0.898 0.881 1.000 0.667 CB 1.594 12 residues pruned to eliminate duplicates Z: 17 18.341 1.839 0.468 0.835 0.938 0.562 CB 1.358 17 residues pruned to eliminate duplicates Z: 92 43.955 2.167 0.582 0.530 0.934 0.626 CB 1.398 92 residues pruned to eliminate duplicates Z: 49 41.352 2.174 0.794 0.704 0.896 0.583 CB 1.419 49 residues pruned to eliminate duplicates Z: 10 11.692 1.881 0.503 0.823 1.000 0.889 CA 1.042 10 residues pruned to eliminate duplicates Z: 16 18.667 1.852 0.409 0.917 1.000 0.867 CB 1.303 15 residues pruned to eliminate duplicates Z: 8 9.594 1.808 0.233 0.872 1.000 0.714 CA 1.186 8 residues pruned to eliminate duplicates Z: 6 5.983 1.535 0.607 0.428 1.000 0.600 CB 1.170 Z: 16 11.394 1.671 0.682 0.764 0.933 0.267 CB 0.887 14 residues pruned to eliminate duplicates Z: 28 18.834 1.993 0.402 0.670 0.926 0.481 CB 1.198 28 residues pruned to eliminate duplicates Z: 14 19.439 1.818 0.775 0.921 0.923 0.846 CB 1.274 14 residues pruned to eliminate duplicates Z: 9 12.360 2.098 1.080 0.543 0.750 0.500 CB 1.281 9 residues pruned to eliminate duplicates Z: 9 15.446 2.213 0.308 0.836 1.000 0.625 CA 1.413 9 residues pruned to eliminate duplicates Z: 6 6.774 1.686 0.162 0.840 1.000 0.800 CB 1.153 6 residues pruned to eliminate duplicates Z: 13 29.278 2.149 0.717 0.884 1.000 0.833 CB 1.655 13 residues pruned to eliminate duplicates Z: 9 10.808 1.684 1.114 0.627 1.000 0.750 N 0.952 Z: 7 7.264 2.048 0.677 0.612 0.833 0.500 CB 0.931 7 residues pruned to eliminate duplicates Z: 12 16.733 1.806 0.834 0.851 1.000 0.727 CB 1.127 12 residues pruned to eliminate duplicates Z: 9 11.035 1.913 0.522 0.662 0.875 0.750 CB 1.318 9 residues pruned to eliminate duplicates Z: 28 24.182 2.127 0.482 0.653 0.926 0.741 CB 1.383 28 residues pruned to eliminate duplicates Z: 36 26.166 2.104 0.530 0.486 0.943 0.514 CB 1.479 36 residues pruned to eliminate duplicates Z: 11 9.621 1.731 0.429 0.774 0.900 0.500 CB 1.073 11 residues pruned to eliminate duplicates Z: 11 8.568 1.850 0.229 0.758 0.800 0.500 CB 1.184 11 residues pruned to eliminate duplicates Z: 8 10.863 2.098 0.250 0.808 1.000 0.857 CB 1.197 8 residues pruned to eliminate duplicates Z: 12 9.002 1.984 0.068 0.756 1.000 0.273 CB 1.020 12 residues pruned to eliminate duplicates Z: 47 39.178 2.148 0.786 0.736 0.957 0.652 CB 1.274 55 residues pruned to eliminate duplicates Z: 6 2.781 1.532 0.110 0.292 0.800 0.800 CA 1.154 6 residues pruned to eliminate duplicates Z: 96 42.025 2.095 0.532 0.585 0.926 0.589 CB 1.337 96 residues pruned to eliminate duplicates Z: 99 59.257 2.168 0.732 0.583 0.980 0.602 CB 1.503 99 residues pruned to eliminate duplicates Z: 19 26.250 2.074 0.389 0.933 1.000 0.833 CB 1.499 19 residues pruned to eliminate duplicates Z: 32 26.950 2.151 0.599 0.571 0.903 0.581 CB 1.455 32 residues pruned to eliminate duplicates Z: 8 14.660 2.153 0.437 0.744 1.000 0.571 CB 1.440 8 residues pruned to eliminate duplicates Z: 64 43.189 2.170 0.609 0.519 0.968 0.556 CB 1.580 64 residues pruned to eliminate duplicates Z: 10 6.899 1.522 0.787 0.830 0.778 0.556 CB 0.818 10 residues pruned to eliminate duplicates Z: 8 13.518 1.882 0.549 0.872 1.000 0.857 CA 1.278 8 residues pruned to eliminate duplicates Z: 6 5.725 1.762 0.218 0.751 1.000 0.600 CB 0.954 6 residues pruned to eliminate duplicates Z: 8 7.209 1.923 0.224 0.858 0.714 0.714 CB 1.193 8 residues pruned to eliminate duplicates Z: 13 16.716 1.849 0.520 0.717 1.000 0.583 CB 1.411 21 residues pruned to eliminate duplicates Z: 16 16.216 1.868 0.204 0.904 1.000 1.000 CB 1.325 16 residues pruned to eliminate duplicates Z: 115 52.448 2.169 0.641 0.567 0.947 0.632 CB 1.365 115 residues pruned to eliminate duplicates Z: 15 10.672 1.686 0.240 0.668 0.929 0.571 CB 1.258 15 residues pruned to eliminate duplicates Z: 17 18.863 2.049 0.428 0.868 0.938 0.750 CB 1.257 17 residues pruned to eliminate duplicates Z: 10 7.548 2.005 0.349 0.777 0.667 0.444 CB 1.093 10 residues pruned to eliminate duplicates Z: 67 38.366 2.162 0.642 0.527 0.939 0.576 CB 1.378 67 residues pruned to eliminate duplicates Z: 16 21.046 1.843 0.490 0.920 1.000 1.000 CB 1.394 16 residues pruned to eliminate duplicates Z: 11 5.388 1.664 0.234 0.291 0.900 0.300 CB 1.165 11 residues pruned to eliminate duplicates Z: 47 36.737 2.169 0.651 0.545 0.935 0.587 CA 1.548 47 residues pruned to eliminate duplicates Z: 80 41.046 2.146 0.476 0.586 0.924 0.633 CB 1.453 80 residues pruned to eliminate duplicates Z: 11 7.596 1.717 0.163 0.515 1.000 0.300 CB 1.186 11 residues pruned to eliminate duplicates Z: 17 20.500 2.075 0.513 0.842 0.938 0.625 CB 1.298 17 residues pruned to eliminate duplicates Z: 8 20.507 2.092 0.918 0.869 1.000 1.000 CA 1.411 9 residues pruned to eliminate duplicates Z: 13 12.780 2.225 0.144 0.810 0.833 0.750 CB 1.327 13 residues pruned to eliminate duplicates Z: 17 17.475 2.081 0.550 0.489 0.938 0.500 CA 1.461 17 residues pruned to eliminate duplicates Z: 70 27.680 1.995 0.522 0.543 0.870 0.594 CB 1.210 70 residues pruned to eliminate duplicates Z: 8 13.400 2.137 0.496 0.850 1.000 0.571 CB 1.173 8 residues pruned to eliminate duplicates Z: 9 7.331 1.757 0.619 0.765 0.875 0.625 CB 0.823 9 residues pruned to eliminate duplicates Z: 10 9.040 2.029 0.307 0.774 0.889 0.667 CB 1.003 10 residues pruned to eliminate duplicates Z: 19 18.404 1.896 0.439 0.896 1.000 0.722 CB 1.139 19 residues pruned to eliminate duplicates Z: 8 9.140 2.000 0.303 0.753 1.000 0.286 CA 1.058 8 residues pruned to eliminate duplicates Z: 12 13.068 1.989 0.387 0.649 0.909 0.636 CB 1.367 12 residues pruned to eliminate duplicates Z: 11 8.972 1.665 0.552 0.729 0.900 0.600 CA 0.993 11 residues pruned to eliminate duplicates Z: 9 12.458 1.961 0.402 0.903 1.000 0.750 CB 1.142 9 residues pruned to eliminate duplicates Z: 6 5.675 1.522 0.422 0.474 1.000 0.600 N 1.204 6 residues pruned to eliminate duplicates Z: 17 19.664 2.052 0.508 0.860 0.938 0.375 CB 1.246 17 residues pruned to eliminate duplicates Z: 12 10.564 2.048 0.321 0.603 0.909 0.636 CB 1.175 12 residues pruned to eliminate duplicates Z: 10 13.286 1.997 0.624 0.803 1.000 0.667 CA 1.048 10 residues pruned to eliminate duplicates Z: 6 7.597 1.859 0.900 0.857 1.000 0.800 CB 0.709 6 residues pruned to eliminate duplicates Z: 20 31.763 2.085 0.740 0.907 0.895 0.474 CB 1.595 20 residues pruned to eliminate duplicates Z: 10 17.993 2.022 0.745 0.809 0.889 0.667 CA 1.460 10 residues pruned to eliminate duplicates Z: 27 33.543 2.025 0.706 0.796 0.923 0.577 CB 1.592 27 residues pruned to eliminate duplicates Z: 6 7.189 1.786 0.155 0.821 1.000 0.600 CB 1.180 6 residues pruned to eliminate duplicates Z: 9 22.180 2.075 0.918 0.872 0.875 0.625 CB 1.641 9 residues pruned to eliminate duplicates Z: 17 19.061 1.827 0.385 0.899 1.000 0.688 CB 1.346 17 residues pruned to eliminate duplicates Z: 17 11.888 1.646 0.384 0.850 0.875 0.312 CB 1.105 17 residues pruned to eliminate duplicates Z: 6 9.409 2.204 0.246 0.833 0.800 0.400 CA 1.437 6 residues pruned to eliminate duplicates Z: 12 7.204 1.726 0.279 0.687 0.909 0.455 CB 0.912 12 residues pruned to eliminate duplicates Z: 8 11.699 1.957 0.450 0.771 0.857 0.571 CB 1.430 8 residues pruned to eliminate duplicates Z: 32 29.603 2.163 0.742 0.527 0.935 0.645 CA 1.468 32 residues pruned to eliminate duplicates Z: 8 6.680 1.730 0.534 0.485 0.857 0.714 CB 1.126 8 residues pruned to eliminate duplicates Z: 9 18.849 2.037 0.834 0.851 1.000 0.875 CB 1.321 9 residues pruned to eliminate duplicates Z: 6 3.343 1.600 0.201 0.557 0.600 0.400 CB 1.227 6 residues pruned to eliminate duplicates Z: 28 17.852 2.035 0.266 0.670 0.926 0.667 CB 1.232 28 residues pruned to eliminate duplicates Z: 16 12.664 1.667 0.178 0.910 1.000 0.733 CB 1.180 16 residues pruned to eliminate duplicates Z: 11 8.907 1.833 0.332 0.557 0.900 0.900 CB 1.213 11 residues pruned to eliminate duplicates Z: 17 16.493 2.186 0.459 0.559 0.875 0.688 CB 1.394 17 residues pruned to eliminate duplicates Z: 14 17.551 2.111 0.459 0.858 0.846 0.615 CA 1.375 14 residues pruned to eliminate duplicates Z: 121 47.111 2.137 0.559 0.512 0.900 0.667 CB 1.417 121 residues pruned to eliminate duplicates Z: 15 12.935 1.851 0.437 0.751 0.857 0.429 CB 1.212 14 residues pruned to eliminate duplicates Z: 35 32.173 2.199 0.482 0.643 0.941 0.529 CA 1.574 35 residues pruned to eliminate duplicates Z: 10 15.293 2.170 0.517 0.618 0.889 0.667 CB 1.559 10 residues pruned to eliminate duplicates Z: 15 10.600 1.956 0.403 0.349 0.929 0.500 CA 1.310 15 residues pruned to eliminate duplicates Z: 19 21.184 2.001 0.233 0.918 0.944 0.944 CA 1.512 19 residues pruned to eliminate duplicates Z: 6 6.810 1.876 0.118 0.754 1.000 0.600 CB 1.159 6 residues pruned to eliminate duplicates Z: 12 10.906 1.670 0.467 0.659 1.000 0.545 CB 1.157 12 residues pruned to eliminate duplicates Z: 21 25.765 1.990 0.454 0.872 1.000 0.800 CA 1.451 21 residues pruned to eliminate duplicates Z: 15 8.550 1.937 0.312 0.377 0.643 0.429 CB 1.594 15 residues pruned to eliminate duplicates Z: 6 8.278 2.047 0.145 0.738 1.000 0.600 CB 1.275 6 residues pruned to eliminate duplicates Z: 6 11.965 2.010 0.363 0.779 1.000 0.600 CB 1.527 6 residues pruned to eliminate duplicates Z: 109 48.357 2.137 0.530 0.563 0.944 0.537 CB 1.418 109 residues pruned to eliminate duplicates Z: 9 10.998 1.770 0.512 0.879 1.000 0.375 CB 1.053 9 residues pruned to eliminate duplicates Z: 13 17.376 1.840 0.776 0.920 0.917 0.583 CB 1.179 13 residues pruned to eliminate duplicates Z: 10 9.236 1.881 0.334 0.591 0.778 0.444 CA 1.447 10 residues pruned to eliminate duplicates Z: 28 19.338 2.035 0.512 0.648 0.852 0.556 CB 1.237 28 residues pruned to eliminate duplicates Z: 9 8.457 1.727 0.227 0.830 0.875 0.625 CA 1.212 9 residues pruned to eliminate duplicates Z: 17 22.959 2.072 0.529 0.858 1.000 0.375 CB 1.335 17 residues pruned to eliminate duplicates 7 1.462 1.384 0.199 0.322 0.500 0.333 CB 0.875 ? Z: 10 10.933 1.700 0.435 0.875 1.000 0.556 CB 1.086 10 residues pruned to eliminate duplicates Z: 83 46.483 2.174 0.613 0.536 0.963 0.695 CB 1.466 83 residues pruned to eliminate duplicates Z: 31 16.957 1.894 0.390 0.602 0.867 0.633 CB 1.231 31 residues pruned to eliminate duplicates 6 1.356 1.311 0.530 0.277 0.800 0.400 CB 0.486 ? Z: 9 10.414 1.912 0.268 0.877 1.000 0.750 CA 1.102 9 residues pruned to eliminate duplicates Z: 24 11.631 1.730 0.481 0.503 0.870 0.652 CB 1.085 23 residues pruned to eliminate duplicates Z: 29 27.093 2.091 0.690 0.542 0.964 0.714 CB 1.441 29 residues pruned to eliminate duplicates Z: 8 13.985 2.078 0.753 0.770 1.000 0.714 CA 1.142 8 residues pruned to eliminate duplicates Z: 9 11.450 2.005 0.591 0.618 0.875 0.875 CA 1.298 9 residues pruned to eliminate duplicates Z: 9 4.564 1.455 0.396 0.824 0.875 0.750 CB 0.686 9 residues pruned to eliminate duplicates Z: 53 34.511 2.073 0.548 0.685 0.865 0.519 CB 1.454 53 residues pruned to eliminate duplicates Z: 9 18.183 2.101 0.453 0.863 1.000 1.000 CA 1.545 9 residues pruned to eliminate duplicates Z: 19 25.385 2.123 0.254 0.927 1.000 0.944 CB 1.575 19 residues pruned to eliminate duplicates Z: 7 2.759 1.565 -0.253 0.787 0.833 0.667 CB 0.898 7 residues pruned to eliminate duplicates Z: 8 12.403 1.880 0.767 0.796 1.000 1.000 CB 1.089 8 residues pruned to eliminate duplicates Z: 11 5.969 1.877 0.487 0.459 0.800 0.500 CB 0.882 11 residues pruned to eliminate duplicates Z: 9 4.877 1.613 0.453 0.718 0.750 0.500 CB 0.805 9 residues pruned to eliminate duplicates Z: 20 28.284 2.048 0.614 0.908 1.000 0.737 CB 1.394 20 residues pruned to eliminate duplicates Z: 13 10.234 1.673 0.401 0.536 1.000 0.667 CA 1.217 13 residues pruned to eliminate duplicates Z: 21 29.402 1.959 0.741 0.908 1.000 0.300 CB 1.369 21 residues pruned to eliminate duplicates Z: 9 10.885 1.896 0.447 0.885 1.000 0.875 CA 1.012 9 residues pruned to eliminate duplicates Z: 21 28.724 1.999 0.752 0.883 0.950 0.700 CB 1.395 21 residues pruned to eliminate duplicates Z: 60 41.442 2.162 0.599 0.641 0.949 0.695 CB 1.440 60 residues pruned to eliminate duplicates Z: 8 14.118 1.937 0.630 0.865 1.000 0.714 CB 1.239 8 residues pruned to eliminate duplicates Z: 16 8.541 1.579 0.457 0.538 0.933 0.467 CB 0.989 17 residues pruned to eliminate duplicates Z: 10 10.982 1.925 0.435 0.582 1.000 0.667 CB 1.225 10 residues pruned to eliminate duplicates Z: 26 14.924 1.881 0.446 0.606 0.920 0.560 CB 1.078 26 residues pruned to eliminate duplicates Z: 13 20.465 1.860 0.687 0.918 1.000 0.667 CB 1.327 13 residues pruned to eliminate duplicates Z: 22 16.051 1.869 0.643 0.558 0.952 0.762 CB 1.131 24 residues pruned to eliminate duplicates Z: 27 20.069 1.986 0.503 0.482 0.923 0.577 CA 1.454 27 residues pruned to eliminate duplicates Z: 26 23.865 2.169 0.726 0.556 0.840 0.640 CA 1.437 26 residues pruned to eliminate duplicates Z: 6 3.880 1.542 -0.119 0.578 1.000 0.800 C 1.185 Z: 10 18.526 2.266 0.331 0.866 1.000 0.778 CA 1.499 10 residues pruned to eliminate duplicates Z: 10 14.135 1.936 0.753 0.791 0.889 0.778 CA 1.210 10 residues pruned to eliminate duplicates Z: 12 7.810 1.800 0.298 0.527 0.727 0.455 CB 1.350 12 residues pruned to eliminate duplicates Z: 10 7.033 1.845 0.032 0.844 0.889 0.667 CB 1.031 10 residues pruned to eliminate duplicates Z: 29 18.887 1.968 0.426 0.647 0.857 0.679 CB 1.293 29 residues pruned to eliminate duplicates Z: 125 58.649 2.149 0.646 0.601 0.927 0.589 CB 1.459 125 residues pruned to eliminate duplicates Z: 6 6.557 1.846 0.360 0.840 1.000 1.000 CB 0.872 6 residues pruned to eliminate duplicates Z: 9 17.630 1.968 0.726 0.891 1.000 0.875 CA 1.319 9 residues pruned to eliminate duplicates Z: 15 18.344 2.130 0.318 0.907 0.929 0.929 CB 1.337 15 residues pruned to eliminate duplicates Z: 8 10.816 1.863 0.371 0.842 1.000 0.571 CA 1.192 8 residues pruned to eliminate duplicates Z: 28 17.830 2.026 0.300 0.640 0.926 0.630 CB 1.235 28 residues pruned to eliminate duplicates Z: 12 13.866 1.893 0.479 0.622 0.909 0.636 CA 1.465 12 residues pruned to eliminate duplicates Z: 17 24.868 2.066 0.662 0.895 1.000 0.562 CB 1.298 17 residues pruned to eliminate duplicates Z: 9 6.031 1.679 0.681 0.795 0.875 0.375 CB 0.667 9 residues pruned to eliminate duplicates Z: 13 10.657 1.648 0.634 0.591 1.000 0.500 CB 1.048 13 residues pruned to eliminate duplicates Z: 8 10.047 1.987 0.452 0.843 0.857 0.571 CB 1.144 8 residues pruned to eliminate duplicates Z: 9 18.495 2.001 0.570 0.884 1.000 0.625 CA 1.504 9 residues pruned to eliminate duplicates Z: 27 13.667 1.787 0.698 0.467 0.846 0.538 CB 1.079 27 residues pruned to eliminate duplicates Z: 32 18.577 1.942 0.451 0.423 0.903 0.484 CB 1.419 32 residues pruned to eliminate duplicates Z: 19 20.081 2.082 0.141 0.937 0.944 0.833 CB 1.468 19 residues pruned to eliminate duplicates Z: 14 22.893 2.288 0.681 0.688 1.000 0.615 CA 1.389 14 residues pruned to eliminate duplicates Z: 13 9.923 1.877 0.301 0.433 0.833 0.583 CB 1.509 13 residues pruned to eliminate duplicates Z: 19 19.660 2.204 0.569 0.541 0.944 0.444 CA 1.363 19 residues pruned to eliminate duplicates 6 0.992 1.494 0.661 0.121 0.400 0.200 N 0.720 ? Z: 6 3.199 1.362 0.238 0.543 0.800 0.600 N 1.017 Z: 53 37.464 2.124 0.676 0.617 0.962 0.577 CB 1.359 53 residues pruned to eliminate duplicates Z: 38 25.435 2.113 0.490 0.484 0.919 0.459 CA 1.469 38 residues pruned to eliminate duplicates Z: 47 32.503 2.112 0.583 0.616 0.935 0.696 CB 1.375 47 residues pruned to eliminate duplicates Z: 107 52.113 2.193 0.542 0.562 0.934 0.566 CB 1.508 107 residues pruned to eliminate duplicates Z: 12 8.200 1.748 0.122 0.606 0.909 0.727 CA 1.254 12 residues pruned to eliminate duplicates Z: 14 14.856 1.772 0.688 0.607 1.000 0.538 CB 1.244 14 residues pruned to eliminate duplicates Z: 13 22.139 2.086 0.674 0.622 1.000 0.833 CA 1.631 13 residues pruned to eliminate duplicates Z: 12 16.803 1.923 0.686 0.664 1.000 0.727 CA 1.342 12 residues pruned to eliminate duplicates Z: 25 15.339 1.988 0.373 0.464 0.833 0.625 CA 1.428 25 residues pruned to eliminate duplicates Z: 6 6.135 1.797 0.639 0.787 1.000 1.000 CB 0.724 Z: 8 13.888 1.860 0.868 0.842 0.857 0.571 CA 1.314 8 residues pruned to eliminate duplicates Z: 8 8.793 2.019 0.280 0.781 0.857 0.714 CB 1.171 8 residues pruned to eliminate duplicates Z: 11 9.232 1.907 0.115 0.812 0.900 0.400 CB 1.163 11 residues pruned to eliminate duplicates Z: 6 3.969 1.719 0.174 0.715 0.600 0.400 CB 1.207 7 residues pruned to eliminate duplicates Z: 47 35.194 2.193 0.595 0.535 0.957 0.652 CB 1.498 47 residues pruned to eliminate duplicates Z: 14 2.640 1.447 -0.009 0.264 0.769 0.308 CB 0.868 14 residues pruned to eliminate duplicates Z: 8 5.908 1.608 0.199 0.612 0.857 0.571 CA 1.216 8 residues pruned to eliminate duplicates Z: 9 3.774 1.590 0.422 0.351 0.750 0.375 N 0.924 Z: 47 37.785 2.193 0.629 0.550 0.978 0.457 CB 1.518 47 residues pruned to eliminate duplicates Z: 28 17.175 1.900 0.473 0.582 0.926 0.444 CB 1.179 28 residues pruned to eliminate duplicates Z: 15 13.530 1.726 0.508 0.593 1.000 0.786 CB 1.271 14 residues pruned to eliminate duplicates Z: 23 10.481 1.702 0.356 0.532 0.909 0.636 CB 1.032 23 residues pruned to eliminate duplicates Z: 13 13.948 1.931 0.080 0.874 1.000 0.833 CB 1.405 13 residues pruned to eliminate duplicates Z: 8 6.710 1.688 0.592 0.705 1.000 0.571 CB 0.783 7 residues pruned to eliminate duplicates 6 1.448 1.288 -0.212 0.286 1.000 0.400 CB 0.812 ? Z: 14 21.196 2.150 0.553 0.921 0.923 0.769 CA 1.342 14 residues pruned to eliminate duplicates Z: 10 16.031 1.902 0.906 0.831 0.889 0.889 CA 1.246 10 residues pruned to eliminate duplicates Z: 122 52.706 2.115 0.584 0.575 0.959 0.595 CB 1.388 122 residues pruned to eliminate duplicates Z: 9 14.531 2.115 0.225 0.796 1.000 0.375 CB 1.530 9 residues pruned to eliminate duplicates Z: 53 32.152 2.131 0.503 0.470 0.981 0.596 CB 1.463 53 residues pruned to eliminate duplicates Z: 20 7.761 1.600 0.263 0.494 0.842 0.421 CB 1.053 20 residues pruned to eliminate duplicates Z: 10 15.387 2.004 0.765 0.747 0.889 0.556 CA 1.309 10 residues pruned to eliminate duplicates Z: 6 7.969 1.806 0.670 0.649 1.000 0.800 CA 1.028 6 residues pruned to eliminate duplicates Z: 13 6.957 1.655 0.611 0.290 0.917 0.500 CB 1.041 13 residues pruned to eliminate duplicates Z: 19 17.876 1.875 0.573 0.913 0.944 0.556 CB 1.071 19 residues pruned to eliminate duplicates Z: 25 16.923 1.998 0.496 0.386 0.917 0.625 CA 1.424 25 residues pruned to eliminate duplicates Z: 12 12.334 1.839 0.697 0.626 1.000 0.636 CB 1.058 12 residues pruned to eliminate duplicates Z: 8 7.875 1.672 0.657 0.848 0.857 0.857 CB 0.930 8 residues pruned to eliminate duplicates Z: 10 16.165 2.038 0.639 0.800 1.000 0.667 CA 1.241 10 residues pruned to eliminate duplicates Z: 64 35.652 2.098 0.548 0.609 0.952 0.619 CB 1.309 64 residues pruned to eliminate duplicates Z: 12 12.624 2.060 0.371 0.915 0.909 0.818 CB 1.048 12 residues pruned to eliminate duplicates Z: 16 17.669 1.959 0.637 0.786 0.867 0.533 CB 1.276 16 residues pruned to eliminate duplicates Z: 18 17.149 2.101 0.471 0.540 0.941 0.647 CB 1.374 18 residues pruned to eliminate duplicates Z: 17 20.068 1.865 0.566 0.899 0.938 0.688 CB 1.310 17 residues pruned to eliminate duplicates Z: 64 36.082 2.085 0.584 0.604 0.968 0.683 CB 1.288 64 residues pruned to eliminate duplicates Z: 11 9.944 1.747 0.396 0.857 0.900 0.600 CB 1.056 11 residues pruned to eliminate duplicates Z: 18 17.482 1.863 0.445 0.920 1.000 0.824 CB 1.109 18 residues pruned to eliminate duplicates Z: 6 6.426 1.837 0.170 0.835 0.800 0.600 CB 1.252 6 residues pruned to eliminate duplicates Z: 10 7.894 1.744 0.231 0.785 0.778 0.444 CB 1.227 10 residues pruned to eliminate duplicates Z: 6 5.837 1.672 0.218 0.854 1.000 1.000 CA 0.947 6 residues pruned to eliminate duplicates Z: 79 34.274 2.051 0.524 0.602 0.936 0.615 CB 1.204 79 residues pruned to eliminate duplicates Z: 12 9.281 1.768 0.669 0.563 0.818 0.636 CB 1.090 12 residues pruned to eliminate duplicates Z: 26 20.131 2.015 0.551 0.596 0.880 0.640 CB 1.336 26 residues pruned to eliminate duplicates Z: 45 30.552 2.088 0.609 0.467 0.977 0.568 CA 1.451 45 residues pruned to eliminate duplicates Z: 9 6.700 1.834 0.052 0.798 0.875 0.500 CA 1.082 9 residues pruned to eliminate duplicates Z: 6 3.179 1.598 0.247 0.297 0.800 0.600 CA 1.118 Z: 34 29.047 2.131 0.601 0.515 0.970 0.606 CA 1.505 34 residues pruned to eliminate duplicates Z: 33 33.930 2.121 0.615 0.691 0.969 0.500 CB 1.517 33 residues pruned to eliminate duplicates Z: 10 20.090 1.980 0.969 0.708 1.000 0.778 CB 1.422 11 residues pruned to eliminate duplicates Z: 9 11.455 1.691 0.575 0.863 1.000 0.875 CA 1.116 9 residues pruned to eliminate duplicates Z: 28 25.803 2.120 0.671 0.561 0.926 0.778 CB 1.427 28 residues pruned to eliminate duplicates Z: 8 13.875 1.991 0.764 0.590 1.000 1.000 CA 1.370 8 residues pruned to eliminate duplicates Z: 8 15.224 1.935 0.689 0.848 1.000 0.429 CB 1.306 8 residues pruned to eliminate duplicates Z: 15 22.642 2.183 0.556 0.916 0.929 0.786 CB 1.355 15 residues pruned to eliminate duplicates Z: 11 12.870 1.940 0.397 0.797 0.900 0.800 CB 1.287 11 residues pruned to eliminate duplicates Z: 9 14.402 2.079 0.540 0.767 0.875 0.875 CB 1.435 9 residues pruned to eliminate duplicates Z: 8 6.416 1.991 0.273 0.810 0.857 0.571 CB 0.852 8 residues pruned to eliminate duplicates Z: 27 28.682 2.123 0.851 0.548 0.923 0.692 CA 1.481 27 residues pruned to eliminate duplicates Z: 6 2.223 1.434 0.205 0.411 1.000 0.800 CB 0.632 Z: 15 9.886 1.943 0.198 0.563 0.929 0.357 CB 1.150 15 residues pruned to eliminate duplicates Z: 50 37.034 2.195 0.493 0.654 0.939 0.694 CB 1.490 50 residues pruned to eliminate duplicates Z: 17 17.154 1.920 0.373 0.838 1.000 0.750 CB 1.216 17 residues pruned to eliminate duplicates Z: 52 36.550 2.156 0.541 0.620 0.941 0.647 CB 1.462 52 residues pruned to eliminate duplicates Z: 19 30.968 2.191 0.549 0.937 0.944 0.944 CB 1.585 19 residues pruned to eliminate duplicates Z: 41 25.847 2.067 0.509 0.457 0.950 0.625 CB 1.441 41 residues pruned to eliminate duplicates Z: 8 10.432 1.877 0.438 0.597 1.000 0.857 CB 1.332 8 residues pruned to eliminate duplicates Z: 58 30.659 2.100 0.468 0.567 0.895 0.614 CB 1.380 58 residues pruned to eliminate duplicates Z: 28 20.917 2.019 0.458 0.633 0.926 0.630 CB 1.303 28 residues pruned to eliminate duplicates Z: 25 21.479 2.175 0.297 0.599 0.958 0.583 CB 1.476 25 residues pruned to eliminate duplicates Z: 19 30.018 2.092 0.768 0.899 0.944 0.667 CB 1.447 19 residues pruned to eliminate duplicates Z: 28 17.573 1.940 0.652 0.376 0.926 0.444 CA 1.301 28 residues pruned to eliminate duplicates Z: 24 18.452 2.050 0.462 0.588 0.913 0.696 CB 1.293 24 residues pruned to eliminate duplicates Z: 14 12.819 1.727 0.566 0.892 0.846 0.462 CB 1.116 14 residues pruned to eliminate duplicates Z: 19 20.416 1.904 0.619 0.874 1.000 0.444 CB 1.136 19 residues pruned to eliminate duplicates Z: 9 8.739 1.708 0.333 0.871 1.000 0.625 CB 0.989 9 residues pruned to eliminate duplicates Z: 8 5.281 1.691 0.179 0.587 1.000 0.571 CB 0.921 8 residues pruned to eliminate duplicates Z: 27 36.851 2.025 0.813 0.795 0.962 0.538 CB 1.580 27 residues pruned to eliminate duplicates Z: 39 27.287 2.115 0.566 0.453 0.974 0.605 CA 1.440 39 residues pruned to eliminate duplicates Z: 9 8.713 1.772 0.367 0.808 0.875 0.625 CA 1.111 9 residues pruned to eliminate duplicates Z: 8 16.306 2.268 0.383 0.837 1.000 0.571 CB 1.470 8 residues pruned to eliminate duplicates Z: 8 3.372 1.438 0.459 0.406 0.714 0.429 CB 0.938 Z: 11 6.669 1.811 0.145 0.377 0.900 0.300 CB 1.289 11 residues pruned to eliminate duplicates Z: 58 35.964 2.158 0.530 0.530 0.947 0.579 CB 1.477 58 residues pruned to eliminate duplicates Z: 47 33.704 2.202 0.528 0.542 0.935 0.630 CB 1.516 47 residues pruned to eliminate duplicates Z: 23 18.112 2.079 0.392 0.682 0.864 0.591 CB 1.308 23 residues pruned to eliminate duplicates Z: 41 24.012 2.015 0.407 0.643 0.900 0.475 CB 1.301 41 residues pruned to eliminate duplicates Z: 10 8.204 1.575 0.346 0.843 1.000 0.556 CB 0.960 10 residues pruned to eliminate duplicates Z: 107 48.213 2.139 0.505 0.577 0.943 0.623 CB 1.431 107 residues pruned to eliminate duplicates Z: 17 8.955 1.642 0.413 0.530 0.812 0.500 CB 1.153 17 residues pruned to eliminate duplicates Z: 8 9.723 1.722 0.302 0.857 1.000 0.714 CB 1.208 8 residues pruned to eliminate duplicates Z: 40 33.286 2.245 0.617 0.532 0.923 0.641 CB 1.542 40 residues pruned to eliminate duplicates Z: 14 6.719 1.668 0.198 0.607 0.846 0.692 CB 0.996 14 residues pruned to eliminate duplicates Z: 15 18.706 1.864 0.606 0.840 0.929 0.643 N 1.343 15 residues pruned to eliminate duplicates Z: 6 8.078 1.687 0.278 0.714 1.000 0.800 CB 1.381 5 residues pruned to eliminate duplicates 6 1.404 1.369 0.016 0.511 0.600 0.600 CB 0.744 ? Z: 14 21.389 2.132 0.691 0.872 0.846 0.231 CA 1.417 14 residues pruned to eliminate duplicates Z: 47 28.974 2.087 0.545 0.514 0.935 0.565 CA 1.398 47 residues pruned to eliminate duplicates Z: 6 2.434 1.419 0.261 0.378 0.800 0.200 CB 0.865 Using tripeptides from previous cycle as seeds Z: 6 3.134 1.386 0.890 0.481 1.000 1.000 CA 0.545 Z: 6 3.205 1.482 0.421 0.371 0.800 0.600 CA 0.977 Z: 10 7.374 1.658 0.398 0.696 0.889 0.444 CB 0.997 6 residues pruned to eliminate duplicates Z: 9 8.137 1.721 0.376 0.677 0.875 0.500 CB 1.180 9 residues pruned to eliminate duplicates Z: 6 4.718 1.776 0.268 0.697 0.800 0.400 CB 0.979 6 residues pruned to eliminate duplicates Z: 9 4.250 1.648 0.654 0.521 0.875 0.500 CB 0.617 9 residues pruned to eliminate duplicates Z: 7 5.767 1.748 0.421 0.668 0.833 0.500 CB 0.974 8 residues pruned to eliminate duplicates Z: 9 8.921 1.683 0.625 0.723 0.875 0.750 CB 1.077 9 residues pruned to eliminate duplicates Z: 7 6.404 1.747 -0.010 0.706 1.000 0.833 CB 1.253 7 residues pruned to eliminate duplicates Z: 9 9.626 1.581 0.285 0.756 1.000 0.625 CB 1.335 7 residues pruned to eliminate duplicates Z: 6 6.688 1.878 0.177 0.665 0.800 0.600 CB 1.452 6 residues pruned to eliminate duplicates Z: 7 7.407 1.765 0.388 0.601 0.833 0.833 CA 1.345 7 residues pruned to eliminate duplicates Z: 8 7.025 1.685 0.156 0.538 1.000 0.571 CA 1.312 7 residues pruned to eliminate duplicates Z: 9 6.283 1.560 0.214 0.560 0.875 0.500 CB 1.265 9 residues pruned to eliminate duplicates Z: 49 31.837 2.079 0.504 0.525 0.979 0.646 CB 1.465 49 residues pruned to eliminate duplicates Z: 12 17.221 2.036 0.577 0.556 1.000 0.727 CB 1.531 12 residues pruned to eliminate duplicates Z: 7 5.937 1.788 0.346 0.370 0.833 0.500 CB 1.389 8 residues pruned to eliminate duplicates Z: 7 7.860 2.094 0.486 0.396 0.833 0.500 CB 1.382 7 residues pruned to eliminate duplicates Z: 12 12.914 2.010 0.547 0.643 0.818 0.727 CB 1.339 12 residues pruned to eliminate duplicates Z: 12 14.493 2.025 0.527 0.558 0.909 0.909 CB 1.470 12 residues pruned to eliminate duplicates Z: 17 14.537 1.998 0.551 0.689 0.875 0.375 CB 1.127 17 residues pruned to eliminate duplicates Z: 30 14.086 1.951 0.361 0.579 0.759 0.345 CB 1.203 30 residues pruned to eliminate duplicates Z: 28 16.775 2.010 0.322 0.631 0.815 0.407 CB 1.319 28 residues pruned to eliminate duplicates Z: 29 17.764 2.040 0.406 0.619 0.821 0.429 CB 1.273 29 residues pruned to eliminate duplicates Z: 30 18.291 2.014 0.362 0.633 0.828 0.483 CB 1.321 30 residues pruned to eliminate duplicates Z: 28 19.804 2.049 0.479 0.626 0.852 0.481 CB 1.312 28 residues pruned to eliminate duplicates Z: 16 13.670 2.071 0.272 0.671 0.867 0.200 CB 1.320 16 residues pruned to eliminate duplicates Z: 29 18.996 1.993 0.431 0.641 0.857 0.321 CB 1.287 29 residues pruned to eliminate duplicates Z: 29 18.752 2.054 0.294 0.647 0.893 0.393 CB 1.302 29 residues pruned to eliminate duplicates Z: 28 22.154 2.084 0.504 0.660 0.889 0.444 CB 1.320 27 residues pruned to eliminate duplicates Z: 13 13.319 1.897 0.655 0.823 0.917 0.583 CB 1.010 13 residues pruned to eliminate duplicates Z: 29 21.158 2.048 0.428 0.624 0.929 0.500 CB 1.310 29 residues pruned to eliminate duplicates Z: 21 13.775 2.047 0.313 0.543 0.800 0.400 CB 1.373 21 residues pruned to eliminate duplicates Z: 29 17.195 2.041 0.384 0.615 0.821 0.500 CB 1.255 29 residues pruned to eliminate duplicates Z: 29 21.210 2.030 0.486 0.621 0.893 0.500 CB 1.327 29 residues pruned to eliminate duplicates Z: 28 23.151 2.064 0.501 0.653 0.926 0.519 CB 1.347 28 residues pruned to eliminate duplicates 6 1.264 1.114 0.920 0.239 0.600 0.600 N 0.596 ? Z: 6 3.856 1.537 0.581 0.214 1.000 0.200 CB 0.994 6 residues pruned to eliminate duplicates Z: 42 28.450 2.094 0.571 0.600 0.805 0.585 CB 1.526 42 residues pruned to eliminate duplicates Z: 16 15.111 2.041 0.370 0.557 0.867 0.467 CB 1.523 16 residues pruned to eliminate duplicates Z: 58 31.682 2.095 0.439 0.635 0.877 0.596 CB 1.398 58 residues pruned to eliminate duplicates Z: 32 34.205 2.161 0.602 0.711 0.903 0.613 CB 1.622 32 residues pruned to eliminate duplicates Z: 13 18.132 2.160 0.327 0.672 1.000 0.417 CB 1.559 13 residues pruned to eliminate duplicates Z: 20 13.065 1.928 0.324 0.517 0.842 0.579 CB 1.370 20 residues pruned to eliminate duplicates Z: 111 47.263 2.139 0.494 0.591 0.909 0.618 CB 1.422 111 residues pruned to eliminate duplicates Z: 16 17.245 1.976 0.478 0.599 0.933 0.400 CB 1.486 16 residues pruned to eliminate duplicates Z: 159 63.997 2.175 0.551 0.591 0.943 0.633 CB 1.467 159 residues pruned to eliminate duplicates Z: 43 26.301 1.988 0.507 0.637 0.905 0.452 CB 1.316 43 residues pruned to eliminate duplicates Z: 157 60.888 2.156 0.562 0.577 0.949 0.622 CB 1.416 157 residues pruned to eliminate duplicates Z: 83 49.115 2.175 0.594 0.616 0.963 0.683 CB 1.456 83 residues pruned to eliminate duplicates Z: 29 33.482 2.133 0.738 0.724 0.893 0.607 CA 1.562 29 residues pruned to eliminate duplicates Z: 27 32.306 2.070 0.701 0.742 0.962 0.538 CB 1.507 27 residues pruned to eliminate duplicates Z: 25 34.750 2.151 0.700 0.762 0.958 0.625 CB 1.604 25 residues pruned to eliminate duplicates Z: 25 30.665 2.060 0.798 0.739 0.875 0.583 CB 1.560 25 residues pruned to eliminate duplicates Z: 183 63.296 2.135 0.622 0.563 0.896 0.588 CB 1.423 183 residues pruned to eliminate duplicates Z: 26 34.969 2.109 0.827 0.735 0.920 0.480 CB 1.597 26 residues pruned to eliminate duplicates Z: 86 46.850 2.136 0.649 0.597 0.906 0.576 CB 1.452 86 residues pruned to eliminate duplicates Z: 58 35.618 2.108 0.566 0.647 0.877 0.526 CB 1.421 58 residues pruned to eliminate duplicates Z: 19 35.466 2.204 0.799 0.932 0.944 0.444 CB 1.559 19 residues pruned to eliminate duplicates Z: 31 33.100 2.002 0.780 0.728 0.900 0.433 CB 1.535 31 residues pruned to eliminate duplicates Z: 35 31.066 2.097 0.603 0.680 0.912 0.559 CB 1.474 35 residues pruned to eliminate duplicates Z: 88 45.099 2.136 0.605 0.566 0.920 0.529 CB 1.440 88 residues pruned to eliminate duplicates Z: 36 34.225 2.064 0.712 0.667 0.914 0.543 CB 1.535 36 residues pruned to eliminate duplicates Z: 29 39.373 2.170 0.826 0.719 0.964 0.607 CB 1.598 29 residues pruned to eliminate duplicates Z: 85 48.133 2.162 0.645 0.589 0.917 0.571 CB 1.479 85 residues pruned to eliminate duplicates Z: 155 63.781 2.182 0.562 0.565 0.961 0.682 CB 1.473 155 residues pruned to eliminate duplicates Z: 32 35.567 2.130 0.801 0.707 0.935 0.484 CB 1.475 32 residues pruned to eliminate duplicates Z: 61 30.560 2.076 0.577 0.492 0.900 0.650 CB 1.350 61 residues pruned to eliminate duplicates Z: 28 24.198 2.145 0.762 0.504 0.889 0.481 CB 1.380 28 residues pruned to eliminate duplicates Z: 86 44.905 2.136 0.635 0.575 0.918 0.553 CB 1.414 86 residues pruned to eliminate duplicates Z: 82 48.638 2.174 0.629 0.626 0.914 0.580 CB 1.483 82 residues pruned to eliminate duplicates Z: 8 8.719 2.133 0.568 0.583 0.857 0.714 CB 1.062 8 residues pruned to eliminate duplicates Z: 155 68.162 2.183 0.668 0.579 0.948 0.643 CB 1.474 155 residues pruned to eliminate duplicates Z: 11 7.500 2.100 0.168 0.616 0.900 0.800 CB 0.963 11 residues pruned to eliminate duplicates Z: 8 9.496 2.182 0.367 0.498 0.857 0.714 CB 1.406 8 residues pruned to eliminate duplicates Z: 11 9.592 2.130 0.478 0.480 0.800 0.600 CB 1.229 11 residues pruned to eliminate duplicates Z: 23 25.282 2.225 0.462 0.626 0.955 0.773 CA 1.541 23 residues pruned to eliminate duplicates Z: 48 33.457 2.197 0.558 0.510 0.936 0.596 CB 1.507 48 residues pruned to eliminate duplicates Z: 48 33.909 2.194 0.568 0.523 0.936 0.617 CB 1.501 48 residues pruned to eliminate duplicates Z: 49 30.071 2.162 0.515 0.549 0.938 0.646 CB 1.346 49 residues pruned to eliminate duplicates Z: 49 34.940 2.192 0.587 0.516 0.938 0.625 CB 1.522 49 residues pruned to eliminate duplicates Z: 25 21.685 2.188 0.421 0.643 0.917 0.708 CB 1.358 25 residues pruned to eliminate duplicates Z: 63 30.756 2.102 0.505 0.499 0.903 0.581 CB 1.368 63 residues pruned to eliminate duplicates Z: 51 34.821 2.176 0.623 0.564 0.960 0.640 CB 1.365 51 residues pruned to eliminate duplicates Z: 23 26.786 2.242 0.635 0.626 0.955 0.682 CA 1.450 23 residues pruned to eliminate duplicates Z: 49 37.823 2.206 0.696 0.522 0.938 0.562 CB 1.523 49 residues pruned to eliminate duplicates Z: 56 34.137 2.169 0.542 0.541 0.945 0.545 CB 1.398 56 residues pruned to eliminate duplicates Z: 29 33.283 2.288 0.708 0.607 0.964 0.679 CB 1.508 29 residues pruned to eliminate duplicates Z: 48 35.771 2.199 0.692 0.570 0.936 0.702 CB 1.399 48 residues pruned to eliminate duplicates Z: 65 47.716 2.220 0.678 0.645 0.938 0.688 CB 1.492 65 residues pruned to eliminate duplicates Z: 23 27.375 2.294 0.704 0.608 0.909 0.727 CA 1.482 23 residues pruned to eliminate duplicates Z: 106 51.239 2.209 0.573 0.538 0.952 0.657 CB 1.456 106 residues pruned to eliminate duplicates Z: 48 33.830 2.214 0.492 0.506 0.957 0.553 CA 1.551 48 residues pruned to eliminate duplicates Z: 124 56.268 2.175 0.588 0.566 0.959 0.545 CB 1.436 124 residues pruned to eliminate duplicates Z: 30 27.570 2.283 0.523 0.570 0.931 0.655 CB 1.477 30 residues pruned to eliminate duplicates Z: 48 37.435 2.215 0.632 0.523 0.957 0.574 CB 1.542 48 residues pruned to eliminate duplicates Z: 44 26.560 2.156 0.494 0.434 0.884 0.512 CB 1.524 44 residues pruned to eliminate duplicates Z: 48 35.114 2.213 0.513 0.513 0.979 0.638 CA 1.543 48 residues pruned to eliminate duplicates Z: 132 56.031 2.176 0.603 0.557 0.924 0.656 CB 1.437 132 residues pruned to eliminate duplicates Z: 51 31.815 2.179 0.505 0.515 0.940 0.540 CB 1.438 51 residues pruned to eliminate duplicates Z: 51 30.552 2.161 0.483 0.518 0.940 0.540 CB 1.409 51 residues pruned to eliminate duplicates Z: 84 43.863 2.160 0.610 0.538 0.940 0.627 CB 1.419 84 residues pruned to eliminate duplicates Z: 48 34.935 2.210 0.572 0.491 0.957 0.638 CA 1.546 48 residues pruned to eliminate duplicates Z: 121 55.580 2.183 0.611 0.530 0.942 0.633 CB 1.487 121 residues pruned to eliminate duplicates Z: 48 37.614 2.227 0.581 0.509 0.979 0.596 CB 1.579 48 residues pruned to eliminate duplicates Z: 49 32.300 2.174 0.565 0.488 0.917 0.604 CB 1.514 49 residues pruned to eliminate duplicates Z: 50 31.461 2.200 0.472 0.518 0.939 0.571 CB 1.453 50 residues pruned to eliminate duplicates Z: 49 34.313 2.209 0.608 0.493 0.917 0.583 CB 1.533 49 residues pruned to eliminate duplicates Z: 19 17.210 2.052 0.508 0.499 0.889 0.556 CB 1.477 19 residues pruned to eliminate duplicates Z: 17 17.124 2.001 0.548 0.565 0.938 0.688 CB 1.384 17 residues pruned to eliminate duplicates Z: 50 36.048 2.169 0.624 0.517 1.000 0.571 CB 1.437 50 residues pruned to eliminate duplicates Z: 108 51.619 2.210 0.593 0.532 0.935 0.626 CB 1.470 108 residues pruned to eliminate duplicates Z: 49 31.663 2.180 0.600 0.497 0.875 0.646 CB 1.501 49 residues pruned to eliminate duplicates Z: 20 16.913 2.025 0.644 0.474 0.842 0.579 CB 1.421 20 residues pruned to eliminate duplicates Z: 86 47.477 2.155 0.677 0.565 0.929 0.612 CB 1.439 86 residues pruned to eliminate duplicates Z: 90 45.982 2.213 0.520 0.519 0.933 0.607 CB 1.526 90 residues pruned to eliminate duplicates Z: 49 33.960 2.197 0.576 0.502 0.917 0.583 CA 1.541 49 residues pruned to eliminate duplicates Z: 57 34.320 2.179 0.573 0.532 0.911 0.625 CB 1.424 57 residues pruned to eliminate duplicates Z: 101 45.600 2.143 0.559 0.524 0.930 0.630 CB 1.432 101 residues pruned to eliminate duplicates Z: 72 43.665 2.164 0.644 0.569 0.972 0.592 CB 1.402 72 residues pruned to eliminate duplicates Z: 63 38.024 2.176 0.568 0.549 0.952 0.629 CB 1.418 63 residues pruned to eliminate duplicates Z: 61 34.734 2.177 0.516 0.491 0.933 0.683 CB 1.468 61 residues pruned to eliminate duplicates Z: 123 57.876 2.212 0.589 0.578 0.934 0.713 CB 1.480 123 residues pruned to eliminate duplicates Z: 20 17.760 2.039 0.468 0.520 1.000 0.579 CB 1.334 20 residues pruned to eliminate duplicates Z: 123 56.160 2.196 0.620 0.568 0.934 0.656 CB 1.433 123 residues pruned to eliminate duplicates Z: 77 37.566 2.157 0.551 0.546 0.895 0.618 CB 1.376 77 residues pruned to eliminate duplicates Z: 123 61.813 2.206 0.617 0.577 0.984 0.623 CB 1.481 123 residues pruned to eliminate duplicates Z: 65 42.748 2.187 0.659 0.588 0.953 0.641 CB 1.420 65 residues pruned to eliminate duplicates Z: 81 46.456 2.160 0.651 0.583 0.925 0.688 CB 1.453 81 residues pruned to eliminate duplicates Z: 62 39.126 2.196 0.585 0.583 0.934 0.721 CB 1.422 62 residues pruned to eliminate duplicates Z: 124 55.193 2.200 0.576 0.572 0.935 0.699 CB 1.432 124 residues pruned to eliminate duplicates Z: 123 60.479 2.215 0.642 0.578 0.951 0.631 CB 1.469 123 residues pruned to eliminate duplicates Z: 65 41.885 2.198 0.535 0.596 0.984 0.734 CB 1.439 65 residues pruned to eliminate duplicates Z: 80 47.104 2.181 0.634 0.589 0.962 0.734 CB 1.419 80 residues pruned to eliminate duplicates Z: 103 47.124 2.134 0.608 0.531 0.931 0.676 CB 1.416 74 residues pruned to eliminate duplicates Z: 7 6.176 1.802 0.829 0.377 0.833 0.667 CA 1.047 7 residues pruned to eliminate duplicates Z: 106 54.533 2.216 0.591 0.569 0.962 0.686 CB 1.469 106 residues pruned to eliminate duplicates Z: 80 43.039 2.189 0.562 0.571 0.949 0.633 CB 1.394 80 residues pruned to eliminate duplicates Z: 81 43.218 2.160 0.551 0.561 0.963 0.637 CB 1.412 81 residues pruned to eliminate duplicates Z: 55 41.576 2.214 0.614 0.616 0.963 0.685 CB 1.473 55 residues pruned to eliminate duplicates Z: 124 59.679 2.202 0.628 0.562 0.951 0.683 CB 1.486 124 residues pruned to eliminate duplicates Z: 126 58.309 2.188 0.645 0.561 0.952 0.608 CB 1.434 126 residues pruned to eliminate duplicates Z: 107 52.137 2.200 0.599 0.553 0.943 0.651 CB 1.449 107 residues pruned to eliminate duplicates Z: 94 49.851 2.199 0.576 0.570 0.957 0.699 CB 1.456 94 residues pruned to eliminate duplicates Z: 125 57.038 2.205 0.613 0.572 0.944 0.685 CB 1.423 125 residues pruned to eliminate duplicates Z: 64 41.616 2.220 0.562 0.578 0.968 0.635 CB 1.449 64 residues pruned to eliminate duplicates Z: 64 39.557 2.206 0.581 0.575 0.905 0.667 CB 1.469 64 residues pruned to eliminate duplicates Z: 123 59.176 2.215 0.614 0.571 0.967 0.680 CB 1.446 123 residues pruned to eliminate duplicates Z: 80 42.545 2.176 0.540 0.545 0.949 0.570 CB 1.440 80 residues pruned to eliminate duplicates Z: 95 49.750 2.184 0.601 0.571 0.947 0.681 CB 1.447 95 residues pruned to eliminate duplicates Z: 79 45.818 2.196 0.621 0.585 0.949 0.654 CB 1.415 79 residues pruned to eliminate duplicates Z: 82 42.684 2.148 0.572 0.558 0.938 0.617 CB 1.414 82 residues pruned to eliminate duplicates Z: 90 47.815 2.206 0.563 0.565 0.933 0.640 CB 1.480 90 residues pruned to eliminate duplicates Z: 122 53.999 2.171 0.620 0.569 0.926 0.669 CB 1.411 122 residues pruned to eliminate duplicates Z: 109 53.469 2.205 0.625 0.568 0.926 0.685 CB 1.453 109 residues pruned to eliminate duplicates Z: 33 32.488 2.240 0.539 0.684 0.969 0.656 CB 1.452 33 residues pruned to eliminate duplicates Z: 123 60.830 2.218 0.659 0.573 0.959 0.680 CB 1.455 123 residues pruned to eliminate duplicates Z: 124 58.876 2.198 0.617 0.564 0.967 0.618 CB 1.451 124 residues pruned to eliminate duplicates Z: 93 49.955 2.204 0.653 0.569 0.935 0.685 CB 1.431 93 residues pruned to eliminate duplicates Z: 57 42.289 2.214 0.650 0.590 0.982 0.679 CB 1.445 57 residues pruned to eliminate duplicates Z: 81 44.437 2.168 0.634 0.570 0.925 0.625 CB 1.417 81 residues pruned to eliminate duplicates Z: 65 35.331 2.144 0.508 0.566 0.891 0.609 CB 1.439 65 residues pruned to eliminate duplicates Z: 106 50.704 2.206 0.613 0.548 0.905 0.629 CB 1.466 106 residues pruned to eliminate duplicates Z: 48 39.921 2.204 0.662 0.648 0.936 0.596 CB 1.479 48 residues pruned to eliminate duplicates Z: 125 59.822 2.215 0.627 0.573 0.960 0.661 CB 1.448 125 residues pruned to eliminate duplicates Z: 64 42.229 2.224 0.576 0.597 0.968 0.603 CB 1.429 64 residues pruned to eliminate duplicates Z: 65 42.346 2.208 0.623 0.570 0.969 0.641 CB 1.426 65 residues pruned to eliminate duplicates Z: 49 38.185 2.169 0.647 0.628 0.938 0.583 CB 1.459 49 residues pruned to eliminate duplicates Z: 64 44.956 2.212 0.622 0.582 0.984 0.603 CB 1.483 64 residues pruned to eliminate duplicates Z: 80 45.162 2.181 0.657 0.570 0.937 0.620 CB 1.403 80 residues pruned to eliminate duplicates Z: 50 33.592 2.159 0.490 0.598 0.939 0.571 CB 1.447 50 residues pruned to eliminate duplicates Z: 48 35.818 2.195 0.592 0.631 0.957 0.617 CB 1.380 48 residues pruned to eliminate duplicates Z: 65 40.573 2.199 0.569 0.575 0.953 0.656 CB 1.434 65 residues pruned to eliminate duplicates Z: 34 32.222 2.208 0.562 0.653 0.939 0.636 CB 1.501 34 residues pruned to eliminate duplicates Z: 125 61.801 2.211 0.677 0.589 0.960 0.677 CB 1.433 125 residues pruned to eliminate duplicates Z: 124 57.022 2.194 0.645 0.564 0.935 0.626 CB 1.433 124 residues pruned to eliminate duplicates Z: 80 45.495 2.181 0.647 0.583 0.924 0.608 CB 1.424 80 residues pruned to eliminate duplicates Z: 83 43.543 2.137 0.658 0.570 0.939 0.573 CB 1.351 83 residues pruned to eliminate duplicates Z: 25 23.979 2.053 0.719 0.583 0.958 0.583 CB 1.336 25 residues pruned to eliminate duplicates Z: 80 46.866 2.184 0.594 0.581 0.987 0.658 CB 1.419 80 residues pruned to eliminate duplicates Z: 124 56.128 2.195 0.622 0.555 0.927 0.642 CB 1.454 124 residues pruned to eliminate duplicates Z: 124 55.798 2.199 0.575 0.553 0.951 0.659 CB 1.451 124 residues pruned to eliminate duplicates Z: 123 57.572 2.204 0.641 0.570 0.934 0.656 CB 1.441 123 residues pruned to eliminate duplicates Z: 126 57.249 2.184 0.660 0.566 0.920 0.624 CB 1.440 126 residues pruned to eliminate duplicates Z: 80 47.640 2.180 0.645 0.587 0.949 0.658 CB 1.447 80 residues pruned to eliminate duplicates Z: 49 34.347 2.196 0.488 0.646 0.917 0.604 CB 1.445 49 residues pruned to eliminate duplicates Z: 35 27.896 2.134 0.681 0.553 0.882 0.500 CB 1.435 35 residues pruned to eliminate duplicates Z: 81 44.206 2.169 0.609 0.559 0.938 0.613 CB 1.427 81 residues pruned to eliminate duplicates Z: 80 48.420 2.185 0.648 0.594 0.962 0.646 CB 1.437 80 residues pruned to eliminate duplicates Z: 132 59.421 2.198 0.611 0.577 0.954 0.656 CB 1.427 132 residues pruned to eliminate duplicates Z: 33 21.997 2.015 0.695 0.518 0.875 0.500 CB 1.278 33 residues pruned to eliminate duplicates Z: 59 45.058 2.210 0.694 0.613 0.966 0.534 CB 1.471 59 residues pruned to eliminate duplicates Z: 81 44.357 2.153 0.657 0.578 0.913 0.650 CB 1.413 81 residues pruned to eliminate duplicates Z: 24 23.702 2.108 0.764 0.561 0.913 0.565 CB 1.372 24 residues pruned to eliminate duplicates Z: 50 36.075 2.132 0.612 0.611 0.939 0.531 CB 1.438 50 residues pruned to eliminate duplicates Z: 77 45.943 2.204 0.635 0.576 0.961 0.553 CB 1.415 77 residues pruned to eliminate duplicates Z: 81 45.950 2.196 0.644 0.568 0.938 0.575 CB 1.422 81 residues pruned to eliminate duplicates Z: 79 50.485 2.196 0.672 0.590 0.987 0.628 CB 1.447 79 residues pruned to eliminate duplicates Z: 11 14.589 2.099 0.539 0.563 0.900 0.800 CB 1.492 13 residues pruned to eliminate duplicates Z: 7 6.796 1.806 0.466 0.289 1.000 0.333 CA 1.329 6 residues pruned to eliminate duplicates Z: 6 8.309 1.606 0.959 0.361 1.000 0.600 C 1.371 6 residues pruned to eliminate duplicates Z: 11 19.028 2.193 0.546 0.621 1.000 0.700 CB 1.583 11 residues pruned to eliminate duplicates 6 1.108 1.395 0.609 0.279 0.800 0.600 CA 0.354 ? Z: 6 2.303 1.677 0.771 0.297 0.600 0.600 CA 0.725 6 residues pruned to eliminate duplicates Z: 9 16.874 1.986 0.945 0.770 1.000 0.625 CB 1.216 9 residues pruned to eliminate duplicates Z: 9 14.075 2.030 0.981 0.747 0.875 0.625 CB 1.134 9 residues pruned to eliminate duplicates Z: 9 13.137 1.963 1.052 0.661 0.750 0.750 CA 1.324 9 residues pruned to eliminate duplicates Z: 15 21.290 1.955 0.551 0.874 1.000 0.714 CB 1.366 16 residues pruned to eliminate duplicates Z: 15 21.460 1.930 0.619 0.915 1.000 0.786 CB 1.297 15 residues pruned to eliminate duplicates Z: 17 20.117 1.854 0.512 0.886 1.000 0.688 CB 1.294 16 residues pruned to eliminate duplicates Z: 17 17.848 1.872 0.295 0.881 1.000 0.812 CB 1.332 17 residues pruned to eliminate duplicates Z: 17 17.467 1.829 0.429 0.846 0.938 0.750 CB 1.324 17 residues pruned to eliminate duplicates Z: 16 18.095 1.880 0.552 0.868 0.867 0.600 CB 1.351 16 residues pruned to eliminate duplicates Z: 16 22.876 1.942 0.656 0.898 1.000 0.667 CB 1.314 16 residues pruned to eliminate duplicates Z: 16 22.145 1.949 0.537 0.912 1.000 0.733 CB 1.351 16 residues pruned to eliminate duplicates Z: 16 20.119 1.921 0.528 0.827 1.000 0.667 CB 1.334 16 residues pruned to eliminate duplicates Z: 16 23.383 1.939 0.613 0.911 1.000 0.467 CB 1.368 16 residues pruned to eliminate duplicates Z: 17 20.448 1.868 0.508 0.885 1.000 0.438 CB 1.310 17 residues pruned to eliminate duplicates Z: 16 22.029 1.859 0.655 0.844 1.000 0.400 CB 1.375 16 residues pruned to eliminate duplicates Z: 17 18.369 1.866 0.648 0.836 0.875 0.625 CB 1.277 17 residues pruned to eliminate duplicates Z: 17 20.836 1.873 0.606 0.864 0.938 0.812 CB 1.354 17 residues pruned to eliminate duplicates Z: 17 23.181 1.858 0.685 0.889 1.000 0.625 CB 1.332 16 residues pruned to eliminate duplicates Z: 6 8.516 1.813 0.309 0.672 1.000 0.600 CB 1.369 12 residues pruned to eliminate duplicates Z: 6 8.002 1.929 0.224 0.669 1.000 0.800 CB 1.296 6 residues pruned to eliminate duplicates Z: 6 4.675 1.777 0.264 0.325 0.800 0.400 CA 1.411 6 residues pruned to eliminate duplicates Z: 12 12.560 1.861 0.532 0.671 0.909 0.273 CB 1.248 12 residues pruned to eliminate duplicates Z: 11 7.778 1.963 0.276 0.702 0.800 0.300 CB 1.021 11 residues pruned to eliminate duplicates Z: 23 17.650 1.910 0.637 0.587 0.864 0.591 CB 1.283 24 residues pruned to eliminate duplicates Z: 13 8.850 1.742 0.538 0.720 0.917 0.167 CB 0.852 13 residues pruned to eliminate duplicates Z: 17 12.710 1.784 0.718 0.733 0.938 0.375 CB 0.896 17 residues pruned to eliminate duplicates Z: 10 9.046 1.857 0.483 0.807 0.889 0.222 CB 0.943 10 residues pruned to eliminate duplicates Z: 26 15.373 1.830 0.507 0.675 0.880 0.440 CB 1.078 26 residues pruned to eliminate duplicates Z: 12 11.699 1.681 0.573 0.834 1.000 0.636 CB 1.000 12 residues pruned to eliminate duplicates Z: 14 8.045 1.882 0.334 0.647 0.692 0.308 CB 1.120 14 residues pruned to eliminate duplicates Z: 19 10.940 1.847 0.191 0.556 0.833 0.444 CB 1.332 19 residues pruned to eliminate duplicates Z: 25 14.515 1.848 0.399 0.589 0.875 0.542 CB 1.203 25 residues pruned to eliminate duplicates Z: 16 14.500 1.771 0.739 0.536 0.867 0.467 CB 1.353 16 residues pruned to eliminate duplicates Z: 14 16.821 1.879 0.934 0.587 0.923 0.538 CA 1.280 14 residues pruned to eliminate duplicates Z: 28 19.346 1.847 0.598 0.594 0.963 0.407 CB 1.197 28 residues pruned to eliminate duplicates Z: 13 14.149 1.912 0.812 0.529 0.917 0.583 CA 1.250 13 residues pruned to eliminate duplicates Z: 15 9.421 1.799 0.651 0.452 0.643 0.429 CB 1.385 15 residues pruned to eliminate duplicates Z: 26 19.106 1.909 0.544 0.633 0.880 0.520 CB 1.300 26 residues pruned to eliminate duplicates Z: 15 12.049 1.806 0.585 0.555 0.786 0.643 CA 1.356 15 residues pruned to eliminate duplicates Z: 52 26.160 1.914 0.569 0.639 0.824 0.588 CB 1.300 57 residues pruned to eliminate duplicates Z: 20 23.053 1.997 0.415 0.841 1.000 0.737 CB 1.396 20 residues pruned to eliminate duplicates Z: 24 16.226 1.945 0.485 0.516 0.870 0.435 CB 1.326 24 residues pruned to eliminate duplicates Z: 44 27.169 1.957 0.518 0.622 0.884 0.628 CB 1.406 44 residues pruned to eliminate duplicates Z: 23 25.815 2.084 0.457 0.835 0.955 0.773 CB 1.422 23 residues pruned to eliminate duplicates Z: 22 27.987 2.135 0.506 0.840 1.000 0.905 CB 1.418 22 residues pruned to eliminate duplicates Z: 23 31.738 2.067 0.762 0.839 1.000 0.591 CB 1.388 23 residues pruned to eliminate duplicates Z: 23 28.183 2.046 0.772 0.807 0.955 0.591 CB 1.328 23 residues pruned to eliminate duplicates Z: 23 25.564 2.028 0.623 0.804 0.955 0.545 CB 1.330 23 residues pruned to eliminate duplicates Z: 24 31.826 2.055 0.795 0.819 1.000 0.652 CB 1.365 24 residues pruned to eliminate duplicates Z: 34 27.623 2.081 0.743 0.705 0.879 0.576 CB 1.252 34 residues pruned to eliminate duplicates Z: 35 25.538 2.086 0.561 0.728 0.912 0.706 CB 1.202 35 residues pruned to eliminate duplicates Z: 29 28.565 2.120 0.743 0.746 0.893 0.643 CB 1.313 29 residues pruned to eliminate duplicates Z: 57 38.213 2.111 0.658 0.693 0.964 0.607 CB 1.268 57 residues pruned to eliminate duplicates Z: 26 28.961 2.114 0.654 0.770 0.960 0.640 CB 1.358 26 residues pruned to eliminate duplicates Z: 22 37.110 2.133 0.898 0.848 1.000 0.714 CB 1.483 22 residues pruned to eliminate duplicates Z: 24 30.981 2.033 0.794 0.804 1.000 0.522 CB 1.359 24 residues pruned to eliminate duplicates Z: 25 25.171 2.000 0.712 0.770 0.917 0.583 CB 1.289 25 residues pruned to eliminate duplicates Z: 24 26.474 2.053 0.809 0.773 0.913 0.391 CB 1.278 24 residues pruned to eliminate duplicates Z: 126 55.613 2.153 0.608 0.604 0.928 0.544 CB 1.402 126 residues pruned to eliminate duplicates Z: 23 25.082 2.050 0.662 0.805 0.864 0.455 CB 1.393 23 residues pruned to eliminate duplicates Z: 25 24.994 1.947 0.647 0.771 0.958 0.583 CB 1.306 25 residues pruned to eliminate duplicates Z: 32 26.630 2.011 0.783 0.707 0.968 0.452 CB 1.142 32 residues pruned to eliminate duplicates Z: 51 35.369 2.139 0.586 0.690 0.940 0.540 CB 1.318 51 residues pruned to eliminate duplicates Z: 6 6.773 2.077 0.372 0.636 1.000 0.400 CB 0.935 6 residues pruned to eliminate duplicates Z: 56 35.066 2.105 0.527 0.682 0.964 0.600 CB 1.291 56 residues pruned to eliminate duplicates Z: 6 8.324 1.957 0.555 0.526 0.800 0.600 CB 1.489 6 residues pruned to eliminate duplicates Z: 24 17.999 2.126 0.488 0.610 0.870 0.696 CB 1.229 24 residues pruned to eliminate duplicates Z: 11 12.778 2.071 0.942 0.571 0.900 0.500 CB 1.042 11 residues pruned to eliminate duplicates Z: 58 37.675 2.176 0.540 0.572 0.930 0.579 CA 1.494 58 residues pruned to eliminate duplicates Z: 98 54.272 2.148 0.667 0.614 0.948 0.505 CB 1.457 98 residues pruned to eliminate duplicates Z: 103 51.711 2.159 0.607 0.582 0.951 0.608 CB 1.435 103 residues pruned to eliminate duplicates Z: 36 26.406 2.018 0.907 0.690 0.914 0.457 CB 1.066 36 residues pruned to eliminate duplicates Z: 101 51.331 2.156 0.594 0.578 0.970 0.550 CB 1.429 101 residues pruned to eliminate duplicates Z: 65 48.379 2.202 0.659 0.560 0.984 0.594 CA 1.587 65 residues pruned to eliminate duplicates Z: 45 37.930 2.237 0.552 0.574 1.000 0.636 CA 1.534 45 residues pruned to eliminate duplicates Z: 13 21.391 2.254 0.734 0.598 0.917 0.667 CA 1.569 13 residues pruned to eliminate duplicates Z: 15 19.479 2.154 0.712 0.651 0.929 0.643 CB 1.321 15 residues pruned to eliminate duplicates Z: 92 50.528 2.177 0.566 0.598 0.945 0.582 CB 1.498 92 residues pruned to eliminate duplicates Z: 44 35.436 2.213 0.601 0.554 0.953 0.558 CA 1.519 44 residues pruned to eliminate duplicates Z: 44 35.028 2.217 0.607 0.540 0.930 0.535 CA 1.550 44 residues pruned to eliminate duplicates Z: 94 48.288 2.172 0.536 0.575 0.946 0.527 CB 1.476 94 residues pruned to eliminate duplicates Z: 30 28.824 2.171 0.707 0.528 0.931 0.621 CB 1.510 30 residues pruned to eliminate duplicates Z: 22 25.211 2.262 0.584 0.702 0.952 0.619 CB 1.341 22 residues pruned to eliminate duplicates Z: 50 35.339 2.173 0.535 0.580 0.939 0.633 CA 1.493 50 residues pruned to eliminate duplicates Z: 44 35.021 2.192 0.592 0.540 0.953 0.488 CA 1.543 44 residues pruned to eliminate duplicates Z: 44 34.670 2.191 0.570 0.569 0.953 0.628 CA 1.507 44 residues pruned to eliminate duplicates Z: 123 51.098 2.145 0.497 0.572 0.943 0.566 CB 1.426 123 residues pruned to eliminate duplicates Z: 122 54.829 2.144 0.561 0.580 0.942 0.595 CB 1.463 121 residues pruned to eliminate duplicates Z: 8 9.118 2.111 0.292 0.818 0.857 0.429 CB 1.119 8 residues pruned to eliminate duplicates Z: 26 31.290 2.263 0.666 0.596 1.000 0.520 CA 1.515 26 residues pruned to eliminate duplicates Z: 30 33.870 2.218 0.814 0.618 0.966 0.552 CA 1.448 30 residues pruned to eliminate duplicates Z: 45 36.892 2.229 0.556 0.552 1.000 0.568 CA 1.523 45 residues pruned to eliminate duplicates Z: 49 37.913 2.189 0.603 0.569 0.979 0.646 CA 1.490 49 residues pruned to eliminate duplicates Z: 49 34.713 2.205 0.457 0.569 0.958 0.604 CA 1.522 49 residues pruned to eliminate duplicates Z: 21 18.844 1.986 0.728 0.422 0.950 0.550 CA 1.402 21 residues pruned to eliminate duplicates Z: 51 34.813 2.148 0.552 0.532 0.960 0.560 CA 1.491 51 residues pruned to eliminate duplicates Z: 40 23.154 2.040 0.521 0.467 0.897 0.564 CA 1.377 40 residues pruned to eliminate duplicates Z: 93 52.659 2.176 0.567 0.587 0.978 0.609 CB 1.514 93 residues pruned to eliminate duplicates Z: 67 41.973 2.141 0.608 0.564 0.939 0.500 CA 1.502 67 residues pruned to eliminate duplicates Z: 91 48.608 2.174 0.584 0.572 0.933 0.533 CB 1.487 91 residues pruned to eliminate duplicates Z: 47 36.855 2.189 0.605 0.527 1.000 0.587 CA 1.506 47 residues pruned to eliminate duplicates Z: 48 38.842 2.203 0.679 0.534 0.979 0.617 CA 1.514 48 residues pruned to eliminate duplicates Z: 106 51.392 2.163 0.549 0.578 0.962 0.543 CB 1.444 106 residues pruned to eliminate duplicates Z: 92 50.133 2.173 0.580 0.578 0.934 0.527 CB 1.521 92 residues pruned to eliminate duplicates Z: 64 41.585 2.179 0.556 0.511 0.968 0.556 CA 1.578 64 residues pruned to eliminate duplicates Z: 103 53.869 2.187 0.596 0.568 0.951 0.588 CB 1.506 103 residues pruned to eliminate duplicates Z: 44 35.524 2.210 0.656 0.489 0.977 0.651 CA 1.532 44 residues pruned to eliminate duplicates Z: 48 36.067 2.207 0.590 0.528 0.979 0.532 CA 1.490 48 residues pruned to eliminate duplicates Z: 46 38.598 2.219 0.654 0.558 0.978 0.689 CA 1.515 46 residues pruned to eliminate duplicates Z: 101 54.740 2.176 0.621 0.610 0.960 0.590 CB 1.456 101 residues pruned to eliminate duplicates Z: 48 38.476 2.204 0.636 0.560 0.979 0.638 CA 1.500 48 residues pruned to eliminate duplicates Z: 66 42.818 2.168 0.652 0.530 0.923 0.446 CA 1.559 66 residues pruned to eliminate duplicates Z: 93 50.708 2.182 0.573 0.572 0.946 0.522 CB 1.519 93 residues pruned to eliminate duplicates Z: 92 51.572 2.176 0.661 0.556 0.934 0.593 CB 1.517 92 residues pruned to eliminate duplicates Z: 17 18.306 2.170 0.480 0.505 0.938 0.500 CA 1.512 17 residues pruned to eliminate duplicates Z: 93 51.484 2.178 0.660 0.575 0.935 0.609 CB 1.477 93 residues pruned to eliminate duplicates Z: 10 6.669 1.869 0.079 0.461 0.889 0.444 CB 1.290 10 residues pruned to eliminate duplicates Z: 51 40.838 2.191 0.674 0.557 0.980 0.540 CB 1.520 51 residues pruned to eliminate duplicates Z: 93 51.384 2.168 0.680 0.567 0.946 0.576 CB 1.457 93 residues pruned to eliminate duplicates Z: 54 36.101 2.163 0.561 0.503 0.925 0.547 CB 1.583 54 residues pruned to eliminate duplicates Z: 95 49.501 2.168 0.583 0.571 0.947 0.606 CB 1.467 95 residues pruned to eliminate duplicates Z: 65 48.569 2.190 0.726 0.550 0.969 0.516 CA 1.580 65 residues pruned to eliminate duplicates Z: 65 45.496 2.185 0.660 0.528 0.969 0.531 CB 1.575 65 residues pruned to eliminate duplicates Z: 125 54.723 2.126 0.583 0.575 0.968 0.613 CB 1.404 125 residues pruned to eliminate duplicates Z: 48 30.928 2.125 0.447 0.594 0.979 0.511 CB 1.370 48 residues pruned to eliminate duplicates Z: 20 17.959 2.082 0.616 0.511 0.895 0.421 CB 1.354 20 residues pruned to eliminate duplicates Z: 88 48.380 2.164 0.654 0.548 0.966 0.552 CB 1.432 88 residues pruned to eliminate duplicates Z: 91 49.473 2.172 0.622 0.548 0.933 0.622 CB 1.513 91 residues pruned to eliminate duplicates Z: 47 32.776 2.134 0.533 0.609 1.000 0.630 CB 1.332 47 residues pruned to eliminate duplicates Z: 46 30.633 2.154 0.539 0.598 0.911 0.667 CB 1.377 46 residues pruned to eliminate duplicates Z: 47 32.491 2.117 0.583 0.597 0.978 0.630 CB 1.332 47 residues pruned to eliminate duplicates Z: 65 33.847 2.099 0.488 0.606 0.938 0.594 CB 1.306 65 residues pruned to eliminate duplicates Z: 21 18.004 2.000 0.557 0.484 0.950 0.700 CB 1.383 21 residues pruned to eliminate duplicates Z: 73 39.932 2.149 0.593 0.539 0.944 0.583 CB 1.401 73 residues pruned to eliminate duplicates Z: 24 18.806 1.964 0.490 0.494 1.000 0.522 CB 1.348 24 residues pruned to eliminate duplicates Z: 48 32.731 2.103 0.584 0.621 0.957 0.596 CB 1.336 48 residues pruned to eliminate duplicates Z: 93 52.650 2.181 0.643 0.574 0.935 0.641 CB 1.526 93 residues pruned to eliminate duplicates Z: 47 36.229 2.125 0.622 0.643 0.978 0.717 CB 1.386 47 residues pruned to eliminate duplicates Z: 102 53.225 2.170 0.695 0.594 0.931 0.624 CB 1.414 102 residues pruned to eliminate duplicates Z: 30 26.466 2.105 0.625 0.652 0.931 0.655 CB 1.339 30 residues pruned to eliminate duplicates Z: 78 36.731 2.083 0.526 0.569 0.935 0.584 CB 1.318 78 residues pruned to eliminate duplicates Z: 61 35.700 2.122 0.555 0.594 0.967 0.650 CB 1.320 61 residues pruned to eliminate duplicates Z: 48 32.471 2.118 0.575 0.603 0.936 0.681 CB 1.375 48 residues pruned to eliminate duplicates Z: 47 36.620 2.133 0.682 0.611 0.957 0.674 CB 1.416 47 residues pruned to eliminate duplicates Z: 49 34.239 2.110 0.694 0.599 0.938 0.625 CB 1.343 49 residues pruned to eliminate duplicates Z: 64 30.898 2.101 0.429 0.618 0.937 0.635 CB 1.239 64 residues pruned to eliminate duplicates Z: 56 32.761 2.049 0.635 0.562 0.927 0.564 CB 1.338 55 residues pruned to eliminate duplicates Z: 6 2.717 1.776 0.305 0.346 0.800 0.600 CB 0.775 6 residues pruned to eliminate duplicates Z: 81 45.967 2.145 0.564 0.582 0.963 0.625 CB 1.471 81 residues pruned to eliminate duplicates Z: 92 52.924 2.187 0.606 0.590 0.967 0.670 CB 1.499 92 residues pruned to eliminate duplicates Z: 28 14.762 1.929 0.408 0.529 0.889 0.519 CB 1.144 28 residues pruned to eliminate duplicates Z: 47 33.940 2.129 0.613 0.637 0.957 0.674 CB 1.339 47 residues pruned to eliminate duplicates Z: 28 18.065 1.962 0.490 0.543 0.963 0.593 CB 1.185 28 residues pruned to eliminate duplicates Z: 27 19.526 1.935 0.548 0.569 0.923 0.654 CB 1.296 27 residues pruned to eliminate duplicates Z: 48 32.703 2.121 0.548 0.616 0.957 0.681 CB 1.359 48 residues pruned to eliminate duplicates Z: 78 35.501 2.084 0.559 0.593 0.909 0.688 CB 1.253 78 residues pruned to eliminate duplicates Z: 51 33.758 2.101 0.732 0.556 0.900 0.540 CB 1.381 51 residues pruned to eliminate duplicates Z: 104 45.549 2.083 0.602 0.571 0.922 0.583 CB 1.362 104 residues pruned to eliminate duplicates Z: 92 52.962 2.162 0.682 0.576 0.945 0.670 CB 1.501 92 residues pruned to eliminate duplicates Z: 48 35.736 2.136 0.636 0.605 0.979 0.723 CB 1.380 48 residues pruned to eliminate duplicates Z: 45 35.327 2.133 0.743 0.602 0.932 0.591 CB 1.396 45 residues pruned to eliminate duplicates Z: 48 31.126 2.088 0.670 0.605 0.936 0.596 CB 1.260 48 residues pruned to eliminate duplicates Z: 103 50.486 2.145 0.645 0.568 0.961 0.569 CB 1.380 103 residues pruned to eliminate duplicates Z: 122 50.360 2.119 0.616 0.562 0.917 0.636 CB 1.372 122 residues pruned to eliminate duplicates Z: 79 40.294 2.094 0.585 0.607 0.962 0.628 CB 1.291 79 residues pruned to eliminate duplicates Z: 60 38.554 2.160 0.580 0.610 0.983 0.559 CB 1.348 60 residues pruned to eliminate duplicates Z: 36 20.703 2.000 0.478 0.582 0.943 0.600 CB 1.161 36 residues pruned to eliminate duplicates Z: 65 34.153 2.082 0.593 0.606 0.938 0.609 CB 1.242 65 residues pruned to eliminate duplicates Z: 35 18.263 1.970 0.497 0.548 0.882 0.559 CB 1.149 Z: 14 7.958 1.814 0.129 0.619 0.769 0.462 CB 1.253 14 residues pruned to eliminate duplicates Z: 59 24.875 1.986 0.563 0.480 0.897 0.552 CB 1.197 59 residues pruned to eliminate duplicates Z: 55 28.395 2.016 0.544 0.550 0.944 0.574 CB 1.252 90 residues pruned to eliminate duplicates Z: 36 18.831 1.962 0.564 0.557 0.857 0.571 CB 1.146 36 residues pruned to eliminate duplicates Z: 25 17.822 2.024 0.460 0.606 0.958 0.583 CB 1.162 Z: 11 11.555 1.906 0.349 0.789 1.000 0.700 CB 1.103 11 residues pruned to eliminate duplicates Z: 124 59.277 2.143 0.644 0.581 1.000 0.642 CB 1.403 149 residues pruned to eliminate duplicates Z: 25 14.954 2.014 0.418 0.580 0.875 0.500 CB 1.130 Z: 11 9.599 1.959 0.286 0.766 0.900 0.600 CB 1.058 11 residues pruned to eliminate duplicates Z: 79 38.014 2.055 0.600 0.587 0.962 0.487 CB 1.253 104 residues pruned to eliminate duplicates Z: 79 40.761 2.086 0.581 0.606 1.000 0.641 CB 1.266 79 residues pruned to eliminate duplicates Z: 78 41.600 2.089 0.648 0.587 0.974 0.584 CB 1.301 78 residues pruned to eliminate duplicates Z: 124 57.515 2.139 0.639 0.592 0.951 0.650 CB 1.424 124 residues pruned to eliminate duplicates Z: 34 20.113 2.000 0.502 0.573 0.909 0.636 CB 1.196 Z: 11 13.969 2.088 0.718 0.620 0.900 0.700 CB 1.222 13 residues pruned to eliminate duplicates Z: 10 16.445 1.920 0.842 0.812 1.000 0.889 CB 1.181 9 residues pruned to eliminate duplicates Z: 9 23.522 2.070 1.113 0.845 1.000 0.750 CA 1.414 10 residues pruned to eliminate duplicates Z: 9 23.102 2.084 0.977 0.851 1.000 0.625 CB 1.468 9 residues pruned to eliminate duplicates Z: 34 17.374 1.948 0.606 0.510 0.879 0.455 CB 1.089 34 residues pruned to eliminate duplicates Z: 38 21.074 1.957 0.608 0.539 0.865 0.568 CB 1.225 70 residues pruned to eliminate duplicates Z: 46 21.592 1.902 0.602 0.506 0.844 0.489 CB 1.243 46 residues pruned to eliminate duplicates Z: 14 7.269 1.722 0.417 0.515 0.846 0.385 CB 0.961 14 residues pruned to eliminate duplicates Z: 13 10.831 1.712 0.363 0.608 1.000 0.500 CB 1.209 9 residues pruned to eliminate duplicates Z: 15 14.677 1.854 0.561 0.800 0.929 0.357 CB 1.123 19 residues pruned to eliminate duplicates Z: 13 14.652 1.811 0.637 0.816 1.000 0.250 CB 1.084 13 residues pruned to eliminate duplicates Z: 18 9.903 1.789 0.534 0.677 0.706 0.235 CB 1.054 15 residues pruned to eliminate duplicates Z: 13 10.935 1.747 0.445 0.795 0.917 0.417 CB 1.054 13 residues pruned to eliminate duplicates Z: 16 11.846 1.872 0.427 0.677 0.867 0.267 CB 1.122 16 residues pruned to eliminate duplicates Z: 15 11.891 1.885 0.401 0.706 0.929 0.286 CB 1.075 15 residues pruned to eliminate duplicates Z: 15 11.729 1.913 0.253 0.713 0.929 0.500 CB 1.161 15 residues pruned to eliminate duplicates Z: 30 15.634 1.762 0.387 0.583 0.931 0.483 CB 1.179 30 residues pruned to eliminate duplicates Z: 21 12.669 1.864 0.244 0.602 0.950 0.550 CB 1.167 21 residues pruned to eliminate duplicates Z: 27 17.736 1.872 0.527 0.581 0.885 0.385 CB 1.273 28 residues pruned to eliminate duplicates Z: 21 25.699 2.036 0.579 0.873 0.900 0.850 CB 1.446 21 residues pruned to eliminate duplicates Z: 124 60.914 2.182 0.626 0.628 0.935 0.602 CB 1.468 124 residues pruned to eliminate duplicates Z: 24 30.438 2.052 0.810 0.782 0.957 0.609 CB 1.394 24 residues pruned to eliminate duplicates Z: 73 49.022 2.173 0.640 0.634 0.958 0.556 CA 1.492 73 residues pruned to eliminate duplicates Z: 24 27.166 2.046 0.672 0.784 0.913 0.609 CB 1.412 24 residues pruned to eliminate duplicates Z: 29 32.765 2.061 0.790 0.738 0.929 0.643 CB 1.460 29 residues pruned to eliminate duplicates Z: 22 34.042 2.137 0.730 0.823 1.000 0.714 CB 1.518 22 residues pruned to eliminate duplicates Z: 45 38.933 2.147 0.677 0.747 0.932 0.682 CB 1.403 43 residues pruned to eliminate duplicates Z: 20 37.327 2.118 0.864 0.918 1.000 0.632 CB 1.530 22 residues pruned to eliminate duplicates Z: 20 36.380 2.106 0.999 0.925 0.895 0.526 CB 1.555 20 residues pruned to eliminate duplicates Z: 97 51.215 2.123 0.659 0.578 0.938 0.583 CB 1.468 97 residues pruned to eliminate duplicates Z: 22 33.501 2.148 0.823 0.848 0.952 0.667 CB 1.454 22 residues pruned to eliminate duplicates Z: 23 33.662 2.076 0.816 0.792 0.955 0.500 CB 1.544 23 residues pruned to eliminate duplicates Z: 124 62.162 2.178 0.613 0.633 0.967 0.593 CB 1.456 124 residues pruned to eliminate duplicates Z: 25 30.318 2.065 0.787 0.759 0.958 0.292 CB 1.390 25 residues pruned to eliminate duplicates Z: 24 33.968 2.069 0.939 0.812 1.000 0.478 CB 1.346 24 residues pruned to eliminate duplicates Z: 130 57.278 2.118 0.563 0.617 0.961 0.589 CB 1.419 130 residues pruned to eliminate duplicates Z: 45 40.846 2.166 0.714 0.723 0.955 0.500 CB 1.421 45 residues pruned to eliminate duplicates Z: 80 49.896 2.137 0.628 0.637 0.962 0.532 CB 1.475 80 residues pruned to eliminate duplicates Z: 39 32.914 2.107 0.650 0.725 0.947 0.500 CB 1.323 39 residues pruned to eliminate duplicates Z: 29 33.551 2.063 0.803 0.746 0.929 0.464 CB 1.473 29 residues pruned to eliminate duplicates Z: 27 40.820 2.132 1.026 0.785 0.923 0.577 CB 1.562 27 residues pruned to eliminate duplicates Z: 6 2.698 1.429 0.764 0.402 0.600 0.600 N 0.885 6 residues pruned to eliminate duplicates Z: 78 52.631 2.183 0.671 0.643 0.948 0.506 CB 1.518 78 residues pruned to eliminate duplicates Z: 59 33.825 2.166 0.411 0.579 0.914 0.517 CB 1.474 59 residues pruned to eliminate duplicates Z: 104 51.004 2.158 0.581 0.590 0.932 0.621 CB 1.449 104 residues pruned to eliminate duplicates Z: 48 36.576 2.122 0.703 0.671 0.915 0.617 CB 1.377 48 residues pruned to eliminate duplicates Z: 57 36.205 2.172 0.415 0.586 0.946 0.464 CA 1.532 57 residues pruned to eliminate duplicates Z: 45 28.771 2.132 0.477 0.467 0.955 0.477 CA 1.493 45 residues pruned to eliminate duplicates Z: 42 38.892 2.194 0.735 0.769 0.902 0.488 CB 1.393 42 residues pruned to eliminate duplicates Z: 22 27.755 2.250 0.667 0.652 1.000 0.524 CA 1.403 22 residues pruned to eliminate duplicates Z: 51 39.047 2.192 0.621 0.561 0.980 0.540 CB 1.495 51 residues pruned to eliminate duplicates Z: 90 44.182 2.137 0.538 0.526 0.955 0.573 CB 1.454 90 residues pruned to eliminate duplicates Z: 93 51.087 2.184 0.567 0.575 0.957 0.576 CB 1.514 93 residues pruned to eliminate duplicates Z: 124 60.112 2.173 0.659 0.622 0.935 0.577 CB 1.434 124 residues pruned to eliminate duplicates Z: 94 47.963 2.154 0.579 0.552 0.957 0.591 CB 1.452 94 residues pruned to eliminate duplicates Z: 25 27.215 2.210 0.704 0.629 0.958 0.625 CB 1.364 25 residues pruned to eliminate duplicates Z: 23 28.044 2.232 0.716 0.607 0.955 0.591 CA 1.477 23 residues pruned to eliminate duplicates Z: 36 28.378 2.224 0.496 0.506 0.971 0.514 CA 1.475 36 residues pruned to eliminate duplicates Z: 94 47.194 2.165 0.542 0.568 0.946 0.538 CB 1.450 94 residues pruned to eliminate duplicates Z: 100 51.374 2.139 0.595 0.598 0.949 0.485 CB 1.452 100 residues pruned to eliminate duplicates Z: 20 19.579 2.210 0.545 0.587 0.842 0.474 CA 1.437 20 residues pruned to eliminate duplicates Z: 41 33.430 2.209 0.617 0.545 0.975 0.525 CA 1.453 41 residues pruned to eliminate duplicates Z: 122 54.392 2.132 0.606 0.581 0.934 0.554 CB 1.430 122 residues pruned to eliminate duplicates Z: 92 50.648 2.194 0.595 0.575 0.945 0.571 CB 1.493 92 residues pruned to eliminate duplicates Z: 94 49.194 2.164 0.604 0.569 0.946 0.495 CB 1.452 94 residues pruned to eliminate duplicates Z: 47 37.874 2.214 0.616 0.568 0.957 0.500 CA 1.528 47 residues pruned to eliminate duplicates Z: 93 53.038 2.184 0.612 0.584 0.978 0.543 CB 1.482 93 residues pruned to eliminate duplicates Z: 94 52.340 2.194 0.641 0.579 0.946 0.559 CB 1.476 94 residues pruned to eliminate duplicates Z: 93 51.009 2.169 0.669 0.539 0.924 0.543 CB 1.530 93 residues pruned to eliminate duplicates Z: 80 46.821 2.133 0.624 0.631 0.924 0.456 CB 1.455 80 residues pruned to eliminate duplicates Z: 94 52.083 2.192 0.601 0.564 0.957 0.602 CB 1.511 94 residues pruned to eliminate duplicates Z: 65 40.361 2.154 0.609 0.497 0.953 0.594 CB 1.532 65 residues pruned to eliminate duplicates Z: 30 19.486 2.019 0.438 0.400 1.000 0.483 CA 1.386 30 residues pruned to eliminate duplicates Z: 70 45.991 2.161 0.653 0.582 0.957 0.681 CB 1.498 70 residues pruned to eliminate duplicates Z: 36 27.177 2.195 0.736 0.476 0.857 0.514 CA 1.441 36 residues pruned to eliminate duplicates Z: 58 37.171 2.178 0.616 0.536 0.895 0.561 CA 1.509 58 residues pruned to eliminate duplicates Z: 49 35.834 2.197 0.602 0.545 0.958 0.521 CA 1.467 49 residues pruned to eliminate duplicates Z: 46 40.525 2.223 0.791 0.535 0.978 0.578 CA 1.499 46 residues pruned to eliminate duplicates Z: 46 27.474 2.084 0.511 0.435 0.933 0.533 CA 1.490 46 residues pruned to eliminate duplicates Z: 23 24.164 2.144 0.643 0.494 0.955 0.591 CA 1.541 23 residues pruned to eliminate duplicates Z: 92 52.305 2.180 0.653 0.570 0.956 0.560 CB 1.487 92 residues pruned to eliminate duplicates Z: 45 32.923 2.138 0.602 0.493 0.955 0.500 CA 1.528 45 residues pruned to eliminate duplicates Z: 47 34.510 2.173 0.619 0.506 1.000 0.500 CA 1.438 47 residues pruned to eliminate duplicates Z: 68 38.449 2.129 0.585 0.499 0.940 0.582 CB 1.482 68 residues pruned to eliminate duplicates Z: 97 52.530 2.173 0.664 0.588 0.917 0.531 CB 1.487 97 residues pruned to eliminate duplicates Z: 80 50.440 2.157 0.706 0.615 0.949 0.557 CB 1.457 80 residues pruned to eliminate duplicates Z: 50 32.716 2.187 0.532 0.524 0.939 0.612 CA 1.450 50 residues pruned to eliminate duplicates Z: 107 50.845 2.157 0.638 0.560 0.906 0.585 CB 1.456 107 residues pruned to eliminate duplicates Z: 66 39.263 2.122 0.605 0.517 0.938 0.538 CA 1.499 66 residues pruned to eliminate duplicates Z: 108 51.569 2.156 0.561 0.571 0.963 0.523 CB 1.437 108 residues pruned to eliminate duplicates Z: 41 22.888 2.016 0.518 0.380 0.925 0.450 CA 1.452 41 residues pruned to eliminate duplicates Z: 46 30.000 2.095 0.549 0.467 0.911 0.489 CA 1.565 46 residues pruned to eliminate duplicates Z: 65 39.775 2.133 0.631 0.493 0.953 0.594 CB 1.510 65 residues pruned to eliminate duplicates Z: 101 50.898 2.164 0.614 0.575 0.940 0.630 CB 1.442 101 residues pruned to eliminate duplicates Z: 92 56.054 2.196 0.637 0.569 0.989 0.582 CB 1.545 92 residues pruned to eliminate duplicates Z: 46 35.518 2.169 0.635 0.636 0.956 0.667 CB 1.376 46 residues pruned to eliminate duplicates Z: 62 37.080 2.130 0.542 0.601 0.984 0.672 CB 1.334 62 residues pruned to eliminate duplicates Z: 46 35.744 2.172 0.646 0.613 0.933 0.644 CB 1.434 46 residues pruned to eliminate duplicates Z: 92 51.865 2.173 0.680 0.570 0.967 0.615 CB 1.439 92 residues pruned to eliminate duplicates Z: 92 48.242 2.148 0.590 0.550 0.945 0.516 CB 1.493 92 residues pruned to eliminate duplicates Z: 126 52.959 2.138 0.589 0.570 0.936 0.560 CB 1.392 125 residues pruned to eliminate duplicates Z: 13 23.862 2.247 0.643 0.683 1.000 0.750 CB 1.578 13 residues pruned to eliminate duplicates Z: 21 21.217 2.078 0.564 0.530 1.000 0.700 CB 1.417 21 residues pruned to eliminate duplicates Z: 43 33.482 2.135 0.591 0.495 0.976 0.619 CA 1.566 43 residues pruned to eliminate duplicates Z: 22 21.119 2.065 0.529 0.512 1.000 0.619 CB 1.442 22 residues pruned to eliminate duplicates Z: 92 57.869 2.201 0.689 0.590 0.989 0.670 CB 1.513 92 residues pruned to eliminate duplicates Z: 106 48.316 2.156 0.541 0.553 0.933 0.629 CB 1.444 106 residues pruned to eliminate duplicates Z: 100 57.873 2.185 0.677 0.592 0.970 0.636 CB 1.500 100 residues pruned to eliminate duplicates Z: 92 54.281 2.185 0.684 0.576 0.956 0.615 CB 1.503 92 residues pruned to eliminate duplicates Z: 92 48.732 2.167 0.588 0.575 0.945 0.615 CB 1.461 92 residues pruned to eliminate duplicates Z: 90 56.439 2.192 0.681 0.572 0.989 0.618 CB 1.532 90 residues pruned to eliminate duplicates Z: 78 37.173 2.070 0.532 0.597 0.922 0.688 CB 1.320 78 residues pruned to eliminate duplicates Z: 94 53.189 2.176 0.606 0.581 0.978 0.656 CB 1.492 94 residues pruned to eliminate duplicates Z: 93 50.745 2.171 0.644 0.580 0.935 0.652 CB 1.468 93 residues pruned to eliminate duplicates Z: 155 60.329 2.107 0.643 0.586 0.942 0.591 CB 1.372 155 residues pruned to eliminate duplicates Z: 93 53.159 2.185 0.624 0.577 0.957 0.609 CB 1.516 93 residues pruned to eliminate duplicates Z: 79 39.737 2.091 0.584 0.622 0.936 0.641 CB 1.294 79 residues pruned to eliminate duplicates Z: 124 53.669 2.141 0.604 0.570 0.935 0.569 CB 1.408 124 residues pruned to eliminate duplicates Z: 72 36.212 2.089 0.551 0.582 0.958 0.577 CB 1.279 72 residues pruned to eliminate duplicates Z: 26 20.550 2.038 0.615 0.599 0.880 0.520 CB 1.291 26 residues pruned to eliminate duplicates Z: 26 19.928 2.025 0.520 0.637 0.880 0.600 CB 1.295 26 residues pruned to eliminate duplicates Z: 96 46.048 2.126 0.603 0.551 0.926 0.579 CB 1.423 96 residues pruned to eliminate duplicates Z: 47 35.579 2.144 0.582 0.609 1.000 0.674 CB 1.395 47 residues pruned to eliminate duplicates Z: 45 32.833 2.173 0.581 0.615 0.886 0.614 CB 1.458 45 residues pruned to eliminate duplicates Z: 91 48.611 2.164 0.652 0.555 0.922 0.589 CB 1.473 91 residues pruned to eliminate duplicates Z: 63 33.229 2.109 0.465 0.613 0.919 0.597 CB 1.335 63 residues pruned to eliminate duplicates Z: 46 30.587 2.126 0.593 0.603 0.911 0.733 CB 1.339 46 residues pruned to eliminate duplicates Z: 48 33.115 2.121 0.696 0.610 0.894 0.660 CB 1.354 48 residues pruned to eliminate duplicates Z: 26 22.448 2.094 0.473 0.651 0.960 0.680 CB 1.318 26 residues pruned to eliminate duplicates Z: 57 27.779 2.048 0.619 0.539 0.821 0.554 CB 1.312 57 residues pruned to eliminate duplicates Z: 59 29.147 2.051 0.513 0.624 0.897 0.603 CB 1.224 59 residues pruned to eliminate duplicates Z: 104 51.216 2.174 0.627 0.576 0.903 0.563 CB 1.469 104 residues pruned to eliminate duplicates Z: 26 21.797 2.053 0.545 0.655 0.920 0.680 CB 1.293 26 residues pruned to eliminate duplicates Z: 79 36.388 2.072 0.512 0.602 0.962 0.577 CB 1.241 79 residues pruned to eliminate duplicates Z: 79 38.614 2.085 0.587 0.612 0.949 0.628 CB 1.252 79 residues pruned to eliminate duplicates Z: 79 36.807 2.083 0.601 0.596 0.897 0.590 CB 1.271 79 residues pruned to eliminate duplicates Z: 50 36.796 2.129 0.641 0.593 0.980 0.673 CB 1.406 50 residues pruned to eliminate duplicates Z: 78 37.104 2.076 0.568 0.579 0.935 0.649 CB 1.287 78 residues pruned to eliminate duplicates Z: 79 43.297 2.112 0.615 0.540 0.974 0.603 CB 1.418 79 residues pruned to eliminate duplicates Z: 125 56.405 2.142 0.700 0.567 0.919 0.532 CB 1.417 125 residues pruned to eliminate duplicates Z: 33 19.214 1.992 0.478 0.556 0.906 0.562 CB 1.205 33 residues pruned to eliminate duplicates Z: 6 4.194 1.549 0.791 0.184 1.000 0.400 N 0.989 6 residues pruned to eliminate duplicates Z: 28 16.788 1.935 0.540 0.549 0.926 0.556 CB 1.116 28 residues pruned to eliminate duplicates Z: 123 51.739 2.141 0.611 0.549 0.902 0.541 CB 1.436 123 residues pruned to eliminate duplicates Z: 24 17.066 2.004 0.541 0.583 0.957 0.565 CB 1.112 24 residues pruned to eliminate duplicates Z: 17 10.048 1.943 0.336 0.530 0.875 0.500 CB 1.074 17 residues pruned to eliminate duplicates Z: 25 17.336 1.974 0.600 0.587 0.917 0.583 CB 1.124 25 residues pruned to eliminate duplicates Z: 123 52.335 2.127 0.633 0.554 0.943 0.574 CB 1.374 123 residues pruned to eliminate duplicates Z: 79 40.961 2.097 0.619 0.594 0.923 0.538 CB 1.353 79 residues pruned to eliminate duplicates Z: 32 18.173 1.960 0.504 0.581 0.935 0.484 CB 1.095 32 residues pruned to eliminate duplicates Z: 27 14.415 1.926 0.396 0.515 0.923 0.462 CB 1.123 27 residues pruned to eliminate duplicates Z: 27 13.859 1.903 0.492 0.546 0.885 0.462 CB 1.035 27 residues pruned to eliminate duplicates Z: 114 52.166 2.097 0.620 0.550 0.973 0.504 CB 1.413 114 residues pruned to eliminate duplicates Z: 25 14.326 1.956 0.326 0.592 0.917 0.458 CB 1.127 25 residues pruned to eliminate duplicates Z: 26 16.408 1.949 0.573 0.548 0.880 0.480 CB 1.161 26 residues pruned to eliminate duplicates Z: 103 44.755 2.089 0.608 0.559 0.922 0.618 CB 1.351 103 residues pruned to eliminate duplicates Z: 78 40.547 2.089 0.658 0.583 0.948 0.571 CB 1.299 78 residues pruned to eliminate duplicates Z: 124 55.896 2.132 0.693 0.570 0.943 0.585 CB 1.384 124 residues pruned to eliminate duplicates Z: 16 11.915 1.909 0.571 0.540 0.933 0.667 CB 1.057 16 residues pruned to eliminate duplicates Z: 124 51.000 2.126 0.570 0.551 0.943 0.569 CB 1.390 124 residues pruned to eliminate duplicates Z: 28 18.202 1.952 0.634 0.537 0.926 0.407 CB 1.144 28 residues pruned to eliminate duplicates Z: 101 45.815 2.109 0.619 0.552 0.930 0.600 CB 1.371 101 residues pruned to eliminate duplicates Z: 11 15.579 1.921 1.073 0.569 1.000 0.700 CB 1.157 11 residues pruned to eliminate duplicates Z: 31 18.770 1.946 0.607 0.528 0.933 0.400 CB 1.142 31 residues pruned to eliminate duplicates Z: 16 19.238 1.942 0.420 0.840 1.000 0.733 CB 1.344 16 residues pruned to eliminate duplicates Z: 16 20.216 1.959 0.381 0.931 1.000 0.867 CB 1.349 16 residues pruned to eliminate duplicates Z: 16 17.863 1.932 0.329 0.830 1.000 0.933 CB 1.351 16 residues pruned to eliminate duplicates Z: 16 21.204 1.940 0.573 0.848 1.000 0.733 CB 1.331 16 residues pruned to eliminate duplicates Z: 11 17.624 2.012 0.347 0.849 1.000 0.600 CB 1.524 11 residues pruned to eliminate duplicates Z: 17 22.403 1.887 0.593 0.922 1.000 0.812 CB 1.310 17 residues pruned to eliminate duplicates Z: 16 23.350 1.949 0.569 0.884 1.000 0.600 CB 1.424 16 residues pruned to eliminate duplicates Z: 17 20.656 1.875 0.497 0.898 1.000 0.562 CB 1.316 17 residues pruned to eliminate duplicates Z: 12 14.451 1.940 0.534 0.790 0.818 0.091 CB 1.387 12 residues pruned to eliminate duplicates Z: 11 13.788 1.713 0.706 0.809 0.900 0.300 CB 1.266 11 residues pruned to eliminate duplicates Z: 13 20.536 1.962 0.701 0.886 0.917 0.167 CB 1.398 13 residues pruned to eliminate duplicates Z: 16 19.985 1.794 0.736 0.916 0.933 0.267 CB 1.254 16 residues pruned to eliminate duplicates Z: 14 24.583 1.960 0.791 0.928 1.000 0.154 CB 1.360 14 residues pruned to eliminate duplicates Z: 18 22.181 1.787 0.714 0.895 0.941 0.235 CB 1.338 18 residues pruned to eliminate duplicates Z: 7 3.245 1.590 0.383 0.468 1.000 0.667 CB 0.623 5 residues pruned to eliminate duplicates Z: 19 23.194 1.912 0.719 0.910 1.000 0.556 CB 1.180 19 residues pruned to eliminate duplicates Z: 19 23.669 1.942 0.722 0.914 1.000 0.611 CB 1.180 21 residues pruned to eliminate duplicates Z: 19 22.037 1.946 0.590 0.906 1.000 0.778 CB 1.193 19 residues pruned to eliminate duplicates Z: 19 22.232 1.956 0.701 0.914 0.944 0.722 CB 1.180 20 residues pruned to eliminate duplicates Z: 20 20.545 1.850 0.551 0.911 1.000 0.737 CB 1.164 20 residues pruned to eliminate duplicates Z: 20 19.438 1.883 0.659 0.874 0.947 0.579 CB 1.096 20 residues pruned to eliminate duplicates Z: 19 23.226 1.956 0.704 0.909 1.000 0.611 CB 1.166 19 residues pruned to eliminate duplicates Z: 21 20.334 1.816 0.745 0.825 1.000 0.750 CB 1.082 21 residues pruned to eliminate duplicates Z: 21 20.897 1.828 0.677 0.821 1.000 0.600 CB 1.155 21 residues pruned to eliminate duplicates Z: 19 22.279 1.903 0.648 0.917 1.000 0.889 CB 1.182 19 residues pruned to eliminate duplicates Z: 19 23.840 1.937 0.689 0.909 1.000 0.778 CB 1.220 19 residues pruned to eliminate duplicates Z: 21 20.254 1.828 0.674 0.815 1.000 0.750 CB 1.126 21 residues pruned to eliminate duplicates Z: 13 24.123 1.917 0.890 0.928 1.000 0.417 CB 1.346 13 residues pruned to eliminate duplicates Z: 20 21.199 1.840 0.823 0.821 1.000 0.632 CB 1.098 20 residues pruned to eliminate duplicates Z: 22 17.948 1.753 0.691 0.779 1.000 0.381 CB 1.033 22 residues pruned to eliminate duplicates Z: 15 19.690 1.794 0.809 0.799 1.000 0.357 CB 1.249 15 residues pruned to eliminate duplicates Z: 24 8.216 1.666 0.494 0.318 0.783 0.435 CB 1.075 24 residues pruned to eliminate duplicates Z: 45 19.167 1.745 0.665 0.540 0.841 0.432 CB 1.138 49 residues pruned to eliminate duplicates Z: 6 2.321 1.305 0.818 0.287 0.800 0.400 CB 0.695 6 residues pruned to eliminate duplicates Z: 23 15.604 1.854 0.632 0.530 0.909 0.591 CB 1.174 23 residues pruned to eliminate duplicates Z: 9 6.460 1.696 0.543 0.612 0.875 0.750 CB 0.897 9 residues pruned to eliminate duplicates Z: 8 7.769 1.754 0.577 0.594 1.000 0.714 CB 0.971 7 residues pruned to eliminate duplicates Z: 9 5.013 1.602 0.407 0.639 0.875 0.500 CB 0.789 9 residues pruned to eliminate duplicates Z: 8 5.394 1.745 0.545 0.435 0.857 0.286 CB 0.944 8 residues pruned to eliminate duplicates Z: 10 4.279 1.553 0.334 0.567 0.889 0.444 CB 0.726 10 residues pruned to eliminate duplicates Z: 47 35.062 2.140 0.612 0.539 1.000 0.522 CA 1.443 47 residues pruned to eliminate duplicates Z: 8 4.559 1.691 0.193 0.488 0.714 0.429 CB 1.210 8 residues pruned to eliminate duplicates Z: 9 5.522 1.539 0.244 0.515 0.875 0.500 CB 1.149 9 residues pruned to eliminate duplicates Z: 8 5.733 1.628 0.147 0.663 0.857 0.429 CB 1.164 7 residues pruned to eliminate duplicates Z: 6 4.719 1.638 0.084 0.733 0.800 0.600 CB 1.205 6 residues pruned to eliminate duplicates Z: 46 30.998 2.104 0.601 0.521 0.911 0.511 CA 1.475 46 residues pruned to eliminate duplicates Z: 8 5.859 1.516 0.207 0.739 1.000 0.857 CA 0.977 8 residues pruned to eliminate duplicates Z: 30 17.417 1.950 0.521 0.576 0.862 0.552 CB 1.175 30 residues pruned to eliminate duplicates Z: 9 8.623 1.906 0.389 0.531 0.750 0.250 CA 1.489 9 residues pruned to eliminate duplicates Z: 29 18.169 2.003 0.470 0.614 0.857 0.464 CB 1.221 29 residues pruned to eliminate duplicates Z: 13 9.705 1.826 0.278 0.578 0.833 0.417 CB 1.337 13 residues pruned to eliminate duplicates Z: 27 18.302 2.043 0.480 0.669 0.846 0.462 CB 1.201 27 residues pruned to eliminate duplicates Z: 30 19.722 1.937 0.482 0.635 0.862 0.448 CB 1.304 30 residues pruned to eliminate duplicates Z: 27 20.455 2.040 0.453 0.666 0.962 0.577 CB 1.208 27 residues pruned to eliminate duplicates Z: 16 11.927 2.101 0.303 0.700 0.800 0.467 CB 1.171 16 residues pruned to eliminate duplicates Z: 23 17.154 2.096 0.398 0.667 0.818 0.500 CB 1.307 23 residues pruned to eliminate duplicates Z: 29 17.795 2.008 0.465 0.593 0.821 0.536 CB 1.274 29 residues pruned to eliminate duplicates Z: 28 19.965 2.011 0.404 0.649 0.926 0.481 CB 1.279 28 residues pruned to eliminate duplicates Z: 29 18.135 2.025 0.359 0.623 0.893 0.393 CB 1.242 29 residues pruned to eliminate duplicates Z: 29 21.579 2.027 0.530 0.623 0.929 0.571 CB 1.261 29 residues pruned to eliminate duplicates Z: 42 25.711 2.025 0.415 0.651 0.878 0.561 CB 1.387 42 residues pruned to eliminate duplicates Z: 28 18.137 2.035 0.385 0.625 0.889 0.370 CB 1.239 28 residues pruned to eliminate duplicates Z: 39 21.765 2.037 0.497 0.556 0.789 0.421 CB 1.389 39 residues pruned to eliminate duplicates Z: 21 15.949 2.087 0.417 0.635 0.850 0.700 CB 1.250 21 residues pruned to eliminate duplicates Z: 27 21.645 2.079 0.582 0.647 0.885 0.500 CB 1.272 27 residues pruned to eliminate duplicates Z: 27 15.563 2.034 0.340 0.612 0.808 0.462 CB 1.247 27 residues pruned to eliminate duplicates Z: 29 21.685 2.015 0.446 0.665 0.893 0.500 CB 1.351 28 residues pruned to eliminate duplicates Z: 6 4.548 1.454 0.432 0.488 1.000 0.800 CA 0.989 6 residues pruned to eliminate duplicates Z: 28 19.523 2.059 0.399 0.650 0.889 0.630 CB 1.276 28 residues pruned to eliminate duplicates Z: 28 18.507 2.050 0.438 0.656 0.815 0.444 CB 1.283 28 residues pruned to eliminate duplicates Z: 62 34.678 2.098 0.433 0.648 0.902 0.672 CB 1.426 62 residues pruned to eliminate duplicates Z: 28 20.859 2.032 0.392 0.651 0.963 0.556 CB 1.281 29 residues pruned to eliminate duplicates Z: 6 4.614 1.673 0.258 0.475 0.800 0.800 C 1.257 6 residues pruned to eliminate duplicates Z: 17 17.422 1.936 0.543 0.557 0.875 0.688 CA 1.576 17 residues pruned to eliminate duplicates Z: 25 29.990 2.089 0.344 0.810 1.000 0.792 CA 1.665 25 residues pruned to eliminate duplicates Z: 31 34.919 2.157 0.492 0.728 0.967 0.833 CB 1.669 31 residues pruned to eliminate duplicates Z: 13 23.751 2.145 0.665 0.588 1.000 0.667 CB 1.765 13 residues pruned to eliminate duplicates Z: 35 33.046 2.082 0.516 0.707 0.941 0.794 CA 1.580 35 residues pruned to eliminate duplicates Z: 15 20.917 2.017 0.638 0.578 0.929 0.571 C 1.691 15 residues pruned to eliminate duplicates Z: 71 47.605 2.159 0.639 0.661 0.943 0.729 CB 1.469 71 residues pruned to eliminate duplicates Z: 14 21.367 2.111 0.653 0.614 0.846 0.231 CB 1.802 14 residues pruned to eliminate duplicates Z: 33 35.310 2.144 0.728 0.712 0.906 0.656 CB 1.534 33 residues pruned to eliminate duplicates Z: 92 53.767 2.168 0.651 0.659 0.956 0.637 CB 1.422 92 residues pruned to eliminate duplicates Z: 17 37.873 2.183 0.973 0.948 1.000 0.562 CB 1.519 17 residues pruned to eliminate duplicates Z: 33 33.628 2.117 0.604 0.753 0.906 0.500 CB 1.542 33 residues pruned to eliminate duplicates Z: 159 71.650 2.176 0.642 0.624 0.962 0.614 CB 1.475 159 residues pruned to eliminate duplicates Z: 19 37.122 2.152 0.872 0.932 1.000 0.444 CB 1.517 19 residues pruned to eliminate duplicates Z: 24 39.291 2.139 0.764 0.802 1.000 0.652 CB 1.667 24 residues pruned to eliminate duplicates Z: 57 41.192 2.083 0.538 0.722 0.946 0.607 CB 1.486 57 residues pruned to eliminate duplicates Z: 20 33.655 2.138 0.769 0.922 0.947 0.368 CB 1.515 20 residues pruned to eliminate duplicates Z: 36 32.525 2.136 0.579 0.695 0.914 0.457 CB 1.491 36 residues pruned to eliminate duplicates Z: 64 34.357 1.974 0.604 0.683 0.841 0.476 CB 1.374 64 residues pruned to eliminate duplicates Z: 62 37.481 2.036 0.569 0.691 0.934 0.508 CB 1.350 62 residues pruned to eliminate duplicates Z: 26 38.237 2.119 0.752 0.793 0.960 0.680 CB 1.659 26 residues pruned to eliminate duplicates Z: 38 32.812 2.084 0.625 0.705 0.919 0.622 CB 1.439 38 residues pruned to eliminate duplicates Z: 35 39.134 2.170 0.733 0.716 0.941 0.559 CB 1.560 35 residues pruned to eliminate duplicates Z: 34 36.045 2.166 0.733 0.704 0.909 0.576 CB 1.528 34 residues pruned to eliminate duplicates Z: 48 37.481 2.042 0.731 0.683 0.936 0.596 CB 1.397 48 residues pruned to eliminate duplicates Z: 9 13.187 2.154 0.533 0.687 0.875 0.625 CB 1.359 9 residues pruned to eliminate duplicates Z: 36 37.157 2.106 0.625 0.675 0.971 0.629 CB 1.607 36 residues pruned to eliminate duplicates Z: 127 58.302 2.161 0.564 0.605 0.937 0.643 CB 1.485 127 residues pruned to eliminate duplicates Z: 10 11.457 2.044 0.493 0.535 0.889 0.667 CB 1.361 10 residues pruned to eliminate duplicates Z: 63 49.091 2.214 0.702 0.668 0.935 0.677 CB 1.514 63 residues pruned to eliminate duplicates Z: 38 34.604 2.112 0.683 0.712 0.946 0.595 CB 1.397 38 residues pruned to eliminate duplicates Z: 27 21.350 2.115 0.674 0.537 0.885 0.538 CB 1.289 27 residues pruned to eliminate duplicates Z: 27 35.185 2.352 0.744 0.589 0.962 0.731 CB 1.607 27 residues pruned to eliminate duplicates Z: 44 33.720 2.177 0.597 0.540 0.953 0.512 CB 1.491 44 residues pruned to eliminate duplicates Z: 21 32.304 2.333 0.780 0.618 1.000 0.600 CA 1.557 21 residues pruned to eliminate duplicates Z: 44 34.979 2.191 0.611 0.540 0.977 0.558 CB 1.487 44 residues pruned to eliminate duplicates Z: 49 37.892 2.181 0.685 0.518 0.979 0.646 CB 1.493 49 residues pruned to eliminate duplicates Z: 29 30.865 2.278 0.550 0.627 1.000 0.679 CB 1.466 29 residues pruned to eliminate duplicates Z: 30 30.318 2.333 0.522 0.584 0.966 0.552 CB 1.514 30 residues pruned to eliminate duplicates Z: 47 34.547 2.191 0.577 0.555 0.957 0.630 CB 1.462 47 residues pruned to eliminate duplicates Z: 45 35.180 2.189 0.658 0.540 0.955 0.523 CB 1.472 45 residues pruned to eliminate duplicates Z: 28 31.985 2.307 0.704 0.628 0.963 0.593 CB 1.442 28 residues pruned to eliminate duplicates Z: 50 35.508 2.179 0.623 0.555 0.959 0.592 CB 1.418 50 residues pruned to eliminate duplicates Z: 21 28.342 2.331 0.716 0.613 1.000 0.600 CA 1.422 21 residues pruned to eliminate duplicates Z: 27 33.253 2.336 0.661 0.595 0.962 0.615 CA 1.597 27 residues pruned to eliminate duplicates Z: 23 27.959 2.303 0.664 0.611 0.955 0.682 CA 1.467 23 residues pruned to eliminate duplicates Z: 29 35.098 2.300 0.703 0.553 1.000 0.429 CA 1.609 29 residues pruned to eliminate duplicates Z: 47 35.480 2.187 0.636 0.515 0.978 0.587 CA 1.472 47 residues pruned to eliminate duplicates Z: 63 35.855 2.111 0.636 0.482 0.952 0.581 CB 1.411 63 residues pruned to eliminate duplicates Z: 90 46.453 2.161 0.638 0.530 0.944 0.663 CB 1.431 90 residues pruned to eliminate duplicates Z: 48 34.330 2.190 0.655 0.517 0.915 0.532 CA 1.484 48 residues pruned to eliminate duplicates Z: 45 35.594 2.201 0.623 0.535 0.955 0.523 CA 1.521 45 residues pruned to eliminate duplicates Z: 48 35.619 2.169 0.628 0.523 0.957 0.574 CB 1.502 48 residues pruned to eliminate duplicates Z: 51 32.910 2.157 0.557 0.532 0.940 0.580 CB 1.428 51 residues pruned to eliminate duplicates Z: 26 37.257 2.347 0.867 0.552 1.000 0.640 CA 1.617 26 residues pruned to eliminate duplicates Z: 46 36.785 2.211 0.616 0.536 0.978 0.578 CB 1.514 46 residues pruned to eliminate duplicates Z: 48 35.605 2.184 0.658 0.489 0.936 0.489 CA 1.549 48 residues pruned to eliminate duplicates Z: 38 32.465 2.233 0.676 0.477 0.946 0.541 CA 1.543 38 residues pruned to eliminate duplicates Z: 53 33.997 2.153 0.633 0.513 0.942 0.538 CB 1.405 53 residues pruned to eliminate duplicates Z: 46 33.959 2.158 0.653 0.513 0.933 0.533 CB 1.501 46 residues pruned to eliminate duplicates Z: 52 29.808 2.125 0.618 0.491 0.922 0.490 CB 1.329 52 residues pruned to eliminate duplicates Z: 49 35.373 2.196 0.621 0.530 0.938 0.583 CB 1.485 49 residues pruned to eliminate duplicates Z: 46 36.100 2.179 0.672 0.504 0.956 0.533 CA 1.541 46 residues pruned to eliminate duplicates Z: 48 32.400 2.162 0.600 0.525 0.957 0.532 CB 1.392 48 residues pruned to eliminate duplicates Z: 104 51.758 2.192 0.586 0.533 0.942 0.612 CB 1.507 104 residues pruned to eliminate duplicates Z: 109 50.260 2.175 0.551 0.549 0.944 0.611 CB 1.447 109 residues pruned to eliminate duplicates Z: 20 15.590 1.968 0.638 0.466 0.842 0.368 CB 1.364 20 residues pruned to eliminate duplicates Z: 122 55.337 2.177 0.600 0.561 0.926 0.554 CB 1.470 122 residues pruned to eliminate duplicates Z: 46 38.218 2.231 0.665 0.503 0.978 0.600 CB 1.563 46 residues pruned to eliminate duplicates Z: 48 34.428 2.190 0.672 0.478 0.936 0.596 CB 1.499 48 residues pruned to eliminate duplicates Z: 47 36.060 2.216 0.587 0.503 0.978 0.543 CB 1.541 47 residues pruned to eliminate duplicates Z: 49 36.750 2.202 0.640 0.528 1.000 0.688 CB 1.428 49 residues pruned to eliminate duplicates Z: 49 34.746 2.195 0.566 0.503 0.958 0.542 CB 1.517 49 residues pruned to eliminate duplicates Z: 17 15.210 1.958 0.587 0.502 0.938 0.562 CB 1.303 17 residues pruned to eliminate duplicates Z: 48 33.335 2.190 0.645 0.507 0.936 0.511 CB 1.431 48 residues pruned to eliminate duplicates Z: 95 49.709 2.155 0.646 0.573 0.947 0.681 CB 1.423 95 residues pruned to eliminate duplicates Z: 106 56.865 2.212 0.589 0.562 0.981 0.657 CB 1.516 106 residues pruned to eliminate duplicates Z: 106 55.516 2.210 0.643 0.563 0.933 0.648 CB 1.503 106 residues pruned to eliminate duplicates Z: 102 52.394 2.183 0.630 0.569 0.960 0.653 CB 1.427 102 residues pruned to eliminate duplicates Z: 94 47.585 2.135 0.598 0.586 0.935 0.602 CB 1.424 94 residues pruned to eliminate duplicates Z: 108 57.316 2.212 0.628 0.575 0.963 0.589 CB 1.488 108 residues pruned to eliminate duplicates Z: 108 56.620 2.201 0.592 0.587 0.981 0.636 CB 1.464 108 residues pruned to eliminate duplicates Z: 108 54.253 2.194 0.597 0.573 0.944 0.692 CB 1.477 108 residues pruned to eliminate duplicates Z: 66 40.320 2.166 0.576 0.536 0.985 0.692 CB 1.436 66 residues pruned to eliminate duplicates Z: 46 28.574 2.058 0.600 0.517 0.933 0.667 CB 1.363 46 residues pruned to eliminate duplicates Z: 66 40.465 2.173 0.531 0.601 0.938 0.646 CB 1.460 66 residues pruned to eliminate duplicates Z: 108 50.741 2.182 0.564 0.552 0.963 0.673 CB 1.420 108 residues pruned to eliminate duplicates Z: 126 55.794 2.174 0.581 0.574 0.960 0.632 CB 1.408 126 residues pruned to eliminate duplicates Z: 108 55.706 2.193 0.596 0.578 0.972 0.626 CB 1.469 108 residues pruned to eliminate duplicates Z: 110 53.665 2.200 0.566 0.586 0.954 0.670 CB 1.440 110 residues pruned to eliminate duplicates Z: 113 53.265 2.169 0.622 0.571 0.964 0.625 CB 1.386 113 residues pruned to eliminate duplicates Z: 104 50.779 2.123 0.596 0.562 0.951 0.641 CB 1.462 104 residues pruned to eliminate duplicates Z: 103 48.819 2.132 0.596 0.574 0.931 0.667 CB 1.420 103 residues pruned to eliminate duplicates Z: 126 54.402 2.165 0.598 0.580 0.936 0.648 CB 1.392 126 residues pruned to eliminate duplicates Z: 108 56.512 2.203 0.590 0.553 0.981 0.673 CB 1.510 108 residues pruned to eliminate duplicates Z: 63 42.209 2.190 0.620 0.595 0.952 0.645 CB 1.450 63 residues pruned to eliminate duplicates Z: 106 55.286 2.208 0.624 0.575 0.933 0.667 CB 1.499 106 residues pruned to eliminate duplicates Z: 107 58.980 2.214 0.628 0.578 0.981 0.660 CB 1.502 107 residues pruned to eliminate duplicates Z: 122 53.455 2.164 0.639 0.531 0.926 0.554 CB 1.436 122 residues pruned to eliminate duplicates Z: 123 60.568 2.205 0.585 0.577 0.967 0.664 CB 1.507 123 residues pruned to eliminate duplicates Z: 6 7.107 1.583 0.764 0.427 1.000 0.800 CA 1.228 6 residues pruned to eliminate duplicates Z: 102 51.364 2.167 0.558 0.584 0.950 0.683 CB 1.470 102 residues pruned to eliminate duplicates Z: 124 56.461 2.172 0.585 0.566 0.935 0.610 CB 1.483 124 residues pruned to eliminate duplicates Z: 105 49.107 2.122 0.568 0.559 0.952 0.673 CB 1.436 105 residues pruned to eliminate duplicates Z: 82 44.377 2.123 0.532 0.586 0.951 0.691 CB 1.468 82 residues pruned to eliminate duplicates Z: 107 58.073 2.215 0.599 0.581 0.981 0.670 CB 1.502 107 residues pruned to eliminate duplicates Z: 103 50.800 2.137 0.640 0.541 0.931 0.588 CB 1.480 74 residues pruned to eliminate duplicates Z: 16 22.603 2.172 0.495 0.855 1.000 0.867 CA 1.327 16 residues pruned to eliminate duplicates Z: 96 48.803 2.107 0.668 0.559 0.937 0.632 CB 1.436 96 residues pruned to eliminate duplicates Z: 36 29.249 2.164 0.506 0.647 0.857 0.543 CA 1.543 36 residues pruned to eliminate duplicates Z: 80 44.859 2.143 0.614 0.591 0.924 0.646 CB 1.447 80 residues pruned to eliminate duplicates Z: 107 54.235 2.193 0.566 0.576 0.953 0.670 CB 1.496 107 residues pruned to eliminate duplicates Z: 112 53.162 2.184 0.574 0.582 0.955 0.622 CB 1.421 112 residues pruned to eliminate duplicates Z: 106 55.586 2.205 0.627 0.570 0.943 0.638 CB 1.498 106 residues pruned to eliminate duplicates Z: 66 42.938 2.177 0.611 0.601 0.985 0.662 CB 1.401 66 residues pruned to eliminate duplicates Z: 109 55.063 2.199 0.606 0.572 0.944 0.685 CB 1.481 109 residues pruned to eliminate duplicates Z: 108 54.918 2.204 0.645 0.566 0.944 0.664 CB 1.455 108 residues pruned to eliminate duplicates Z: 107 52.106 2.201 0.589 0.556 0.943 0.632 CB 1.453 107 residues pruned to eliminate duplicates Z: 125 55.299 2.179 0.615 0.574 0.919 0.629 CB 1.429 125 residues pruned to eliminate duplicates Z: 103 47.882 2.119 0.570 0.576 0.931 0.598 CB 1.423 103 residues pruned to eliminate duplicates Z: 64 39.330 2.187 0.608 0.601 0.873 0.667 CB 1.466 64 residues pruned to eliminate duplicates Z: 102 53.396 2.161 0.600 0.579 0.980 0.653 CB 1.453 102 residues pruned to eliminate duplicates Z: 32 32.715 2.238 0.415 0.678 1.000 0.581 CA 1.575 32 residues pruned to eliminate duplicates Z: 33 31.437 2.204 0.492 0.670 0.938 0.562 CB 1.540 33 residues pruned to eliminate duplicates Z: 18 18.218 2.194 0.337 0.587 0.882 0.412 CB 1.570 18 residues pruned to eliminate duplicates Z: 64 39.735 2.166 0.532 0.580 0.952 0.651 CB 1.466 64 residues pruned to eliminate duplicates Z: 103 46.926 2.100 0.566 0.557 0.912 0.618 CB 1.465 103 residues pruned to eliminate duplicates Z: 110 55.915 2.202 0.686 0.579 0.927 0.606 CB 1.443 110 residues pruned to eliminate duplicates Z: 109 55.073 2.191 0.633 0.560 0.944 0.630 CB 1.479 109 residues pruned to eliminate duplicates Z: 112 57.249 2.187 0.619 0.584 0.973 0.577 CB 1.455 112 residues pruned to eliminate duplicates Z: 109 57.789 2.200 0.627 0.577 0.991 0.657 CB 1.456 109 residues pruned to eliminate duplicates Z: 80 45.172 2.138 0.593 0.588 0.962 0.620 CB 1.425 80 residues pruned to eliminate duplicates Z: 107 56.363 2.189 0.655 0.564 0.962 0.585 CB 1.475 107 residues pruned to eliminate duplicates Z: 108 54.898 2.195 0.577 0.564 0.953 0.579 CB 1.511 108 residues pruned to eliminate duplicates Z: 95 49.195 2.132 0.664 0.588 0.904 0.638 CB 1.454 95 residues pruned to eliminate duplicates Z: 33 28.136 2.092 0.706 0.559 0.938 0.562 CB 1.404 33 residues pruned to eliminate duplicates Z: 79 47.554 2.179 0.619 0.585 0.949 0.641 CB 1.482 79 residues pruned to eliminate duplicates Z: 34 21.673 2.111 0.345 0.567 0.879 0.606 CB 1.418 34 residues pruned to eliminate duplicates Z: 60 34.366 2.073 0.591 0.536 0.915 0.508 CB 1.431 60 residues pruned to eliminate duplicates Z: 80 46.531 2.151 0.654 0.587 0.962 0.646 CB 1.407 80 residues pruned to eliminate duplicates Z: 34 27.007 2.094 0.581 0.534 0.939 0.576 CB 1.462 34 residues pruned to eliminate duplicates Z: 34 29.500 2.136 0.685 0.560 0.939 0.576 CB 1.433 34 residues pruned to eliminate duplicates Z: 124 58.885 2.198 0.656 0.560 0.935 0.626 CB 1.473 124 residues pruned to eliminate duplicates Z: 35 27.036 2.128 0.510 0.547 0.971 0.588 CB 1.419 35 residues pruned to eliminate duplicates Z: 33 33.016 2.163 0.708 0.598 0.969 0.719 CB 1.485 33 residues pruned to eliminate duplicates Z: 48 36.653 2.185 0.576 0.625 0.915 0.596 CB 1.508 48 residues pruned to eliminate duplicates Z: 34 26.025 2.106 0.549 0.561 0.939 0.606 CB 1.393 34 residues pruned to eliminate duplicates Z: 41 24.999 1.967 0.677 0.565 0.925 0.525 CB 1.217 41 residues pruned to eliminate duplicates Z: 34 29.152 2.111 0.748 0.571 0.909 0.606 CB 1.412 34 residues pruned to eliminate duplicates Z: 95 48.879 2.121 0.689 0.575 0.947 0.617 CB 1.382 95 residues pruned to eliminate duplicates Z: 33 30.434 2.178 0.640 0.599 0.969 0.656 CB 1.415 33 residues pruned to eliminate duplicates Z: 35 23.630 2.086 0.458 0.558 0.941 0.500 CB 1.339 35 residues pruned to eliminate duplicates Z: 6 2.648 1.746 0.148 0.320 1.000 0.400 CB 0.720 Z: 21 19.746 1.795 0.669 0.878 1.000 0.750 CB 1.070 19 residues pruned to eliminate duplicates Z: 19 18.003 1.890 0.393 0.885 1.000 0.833 CB 1.164 19 residues pruned to eliminate duplicates Z: 6 6.755 1.963 0.296 0.753 1.000 0.600 CB 0.948 Z: 19 22.177 1.952 0.743 0.911 1.000 0.611 CB 1.089 19 residues pruned to eliminate duplicates Z: 14 16.590 1.812 0.377 0.927 1.000 0.923 CB 1.293 14 residues pruned to eliminate duplicates Z: 13 20.799 1.918 0.715 0.933 1.000 1.000 CB 1.273 13 residues pruned to eliminate duplicates Z: 13 20.866 1.921 0.723 0.924 1.000 0.750 CB 1.278 13 residues pruned to eliminate duplicates Z: 12 22.608 1.897 0.959 0.850 1.000 0.909 CB 1.358 12 residues pruned to eliminate duplicates Z: 13 22.655 1.920 0.838 0.932 1.000 0.833 CB 1.294 13 residues pruned to eliminate duplicates Z: 13 23.393 1.918 0.929 0.931 1.000 0.917 CB 1.275 13 residues pruned to eliminate duplicates Z: 14 21.440 1.836 0.901 0.863 1.000 0.769 CB 1.250 14 residues pruned to eliminate duplicates Z: 21 17.532 1.816 0.633 0.830 0.950 0.900 CB 1.046 21 residues pruned to eliminate duplicates Z: 21 18.654 1.807 0.701 0.834 1.000 0.750 CB 1.018 21 residues pruned to eliminate duplicates Z: 20 19.750 1.867 0.655 0.868 1.000 0.789 CB 1.072 20 residues pruned to eliminate duplicates Z: 14 21.279 1.808 0.921 0.856 1.000 0.615 CB 1.252 14 residues pruned to eliminate duplicates Z: 13 22.047 1.900 0.971 0.933 1.000 0.417 CB 1.186 13 residues pruned to eliminate duplicates 896 residues left after pruning, divided into chains as follows: A: 17 B: 7 C: 8 D: 23 E: 7 F: 8 G: 11 H: 187 I: 11 J: 17 K: 151 L: 27 M: 155 N: 38 O: 8 P: 8 Q: 186 R: 6 S: 21 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 32.57 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.401, Connect. = 0.715 for dens.mod. cycle 1 = 0.300, Contrast = 0.485, Connect. = 0.761 for dens.mod. cycle 2 = 0.300, Contrast = 0.549, Connect. = 0.781 for dens.mod. cycle 3 = 0.300, Contrast = 0.559, Connect. = 0.784 for dens.mod. cycle 4 = 0.300, Contrast = 0.567, Connect. = 0.787 for dens.mod. cycle 5 = 0.300, Contrast = 0.571, Connect. = 0.788 for dens.mod. cycle 6 = 0.300, Contrast = 0.574, Connect. = 0.789 for dens.mod. cycle 7 = 0.300, Contrast = 0.577, Connect. = 0.789 for dens.mod. cycle 8 = 0.300, Contrast = 0.579, Connect. = 0.790 for dens.mod. cycle 9 = 0.300, Contrast = 0.581, Connect. = 0.790 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 3.88 - 3.07 - 2.68 - 2.44 - 2.26 - 2.13 - 2.02 - 1.93 - 1.86 - 1.80 0.566 0.586 0.609 0.632 0.657 0.680 0.681 0.679 0.667 0.650 0.986 0.989 0.982 0.976 0.972 0.962 0.952 0.934 0.914 0.880 N 9375 9534 9477 9253 9721 9213 9744 9712 8922 8764 Estimated mean FOM = 0.641 Pseudo-free CC = 81.27 % Best trace (cycle 1 with CC 34.46%) was saved as ./2pbl-1.8-parrot-noncs/2pbl-1.8-parrot-noncs.pdb ============================================================================== CPU times required in seconds ----------------------------- 0.9 - Setup, data input and phasing 13.2 - FFTs and peak-searches 43.3 - Sphere of influence 1.0 - Rest of density modification 0.0 - Alpha-helix search 2834.4 - Tripeptide search 22685.5 - Chain tracing 0.0 - NCS analysis 78.6 - B-value refinement for trace 0.2 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 08:08:03 Total time: 25657.31 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 430.9 Used memory is bytes: 31785872