null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 15:28:31 on 14 Sep 2019 + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Please cite: I. Uson & G.M. Sheldrick (2018), "An introduction to experimental phasing of macromolecules illustrated by SHELX; new autotracing features" Acta Cryst. D74, 106-116 (Open Access) if SHELXE proves useful. Command line parameters: ./2i51-1.7-parrot-hancs/2i51-1.7-parrot-hancs.phi -a -n -t20 Cell and symmetry only from ./2i51-1.7-parrot-hancs/2i51-1.7-parrot-hancs.ins Phases from ./2i51-1.7-parrot-hancs/2i51-1.7-parrot-hancs.phi Native data from ./2i51-1.7-parrot-hancs/2i51-1.7-parrot-hancs.hkl Listing output to ./2i51-1.7-parrot-hancs/2i51-1.7-parrot-hancs.lst Phases output to ./2i51-1.7-parrot-hancs/2i51-1.7-parrot-hancs.phs Poly-Ala trace output to ./2i51-1.7-parrot-hancs/2i51-1.7-parrot-hancs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 21 21 21 Allowed origin shift code: 4 49464 Reflections read from file ./2i51-1.7-parrot-hancs/2i51-1.7-parrot-hancs.phi 49464 Reflections read from file ./2i51-1.7-parrot-hancs/2i51-1.7-parrot-hancs.hkl 49464 Unique data, highest resolution = 1.700 Angstroms Anisotropic scaling: intensities multiplied by -0.000082h^2 +0.000162k^2 -0.000017l^2 +0.000000kl +0.000000hl +0.000000hk 3925 Reflections with d > 1.900 and 0 in range 1.900 > d > 1.700 added Density sharpening factor set to 1.20 Fourier grid = 128 x 128 x 51 0.000 <= z <= 0.250 92 Point spherical net set up with radius 2.42A 32 Extra Fourier layers will be generated <|E^2-1|> = 0.744 = 0.300, Contrast = 0.518, Connect. = 0.739 for dens.mod. cycle 1 = 0.300, Contrast = 0.594, Connect. = 0.751 for dens.mod. cycle 2 = 0.300, Contrast = 0.669, Connect. = 0.766 for dens.mod. cycle 3 = 0.300, Contrast = 0.684, Connect. = 0.771 for dens.mod. cycle 4 = 0.300, Contrast = 0.690, Connect. = 0.773 for dens.mod. cycle 5 = 0.300, Contrast = 0.693, Connect. = 0.775 for dens.mod. cycle 6 = 0.300, Contrast = 0.695, Connect. = 0.776 for dens.mod. cycle 7 = 0.300, Contrast = 0.695, Connect. = 0.776 for dens.mod. cycle 8 = 0.300, Contrast = 0.695, Connect. = 0.777 for dens.mod. cycle 9 = 0.300, Contrast = 0.695, Connect. = 0.777 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2622 peaks > 0.5 sigma used to seed fragment search Space for about 535 unique residues taking solvent into account 606 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 17 45.373 2.342 1.036 0.819 1.000 0.625 CA 1.804 B: 16 37.120 2.257 1.009 0.826 0.933 0.800 CB 1.709 C: 17 34.654 2.287 0.830 0.841 0.938 0.625 CA 1.647 17 residues pruned to eliminate duplicates D: 37 19.936 1.890 0.661 0.517 0.889 0.667 CB 1.171 E: 15 34.900 2.250 0.777 0.888 1.000 0.929 CB 1.681 F: 18 30.683 2.183 0.928 0.752 0.941 0.647 CB 1.501 17 residues pruned to eliminate duplicates G: 17 29.882 2.273 0.784 0.749 0.875 0.625 CB 1.686 17 residues pruned to eliminate duplicates H: 15 28.202 2.284 0.608 0.864 0.929 0.643 CB 1.620 15 residues pruned to eliminate duplicates I: 15 36.190 2.224 0.989 0.881 1.000 0.857 CB 1.583 15 residues pruned to eliminate duplicates J: 19 33.985 2.105 1.098 0.738 0.889 0.611 CB 1.648 19 residues pruned to eliminate duplicates K: 15 35.910 2.246 0.891 0.892 1.000 0.929 CB 1.624 15 residues pruned to eliminate duplicates L: 11 31.138 2.351 1.451 0.512 1.000 0.900 CB 1.688 M: 7 4.898 1.838 0.756 0.372 0.667 0.333 CB 1.066 N: 17 41.403 2.299 1.159 0.769 0.938 0.562 CB 1.753 17 residues pruned to eliminate duplicates O: 13 24.306 2.186 0.518 0.792 0.917 0.750 CA 1.785 P: 19 32.650 2.269 0.735 0.558 1.000 0.667 CB 1.847 Q: 133 77.699 2.195 0.970 0.598 0.917 0.697 CB 1.554 35 residues pruned to eliminate duplicates R: 15 34.288 2.196 0.869 0.875 1.000 0.786 CB 1.623 15 residues pruned to eliminate duplicates S: 38 36.409 2.091 0.984 0.502 0.946 0.649 CB 1.521 38 residues pruned to eliminate duplicates T: 61 40.049 2.138 1.030 0.468 0.883 0.617 CB 1.393 U: 18 31.491 2.142 0.731 0.771 1.000 0.824 CA 1.621 17 residues pruned to eliminate duplicates V: 15 34.725 2.236 0.788 0.880 1.000 0.857 CB 1.683 15 residues pruned to eliminate duplicates W: 44 43.110 2.133 0.962 0.615 0.930 0.721 CB 1.515 44 residues pruned to eliminate duplicates X: 17 30.887 2.088 0.877 0.831 0.938 0.562 CA 1.579 17 residues pruned to eliminate duplicates Y: 18 28.838 2.178 0.752 0.800 0.882 0.588 CA 1.598 18 residues pruned to eliminate duplicates Z: 133 79.650 2.185 1.005 0.591 0.932 0.636 CB 1.556 130 residues pruned to eliminate duplicates Z: 16 29.878 2.214 0.727 0.854 0.933 0.667 CA 1.597 16 residues pruned to eliminate duplicates Z: 28 29.206 2.079 0.681 0.559 0.926 0.556 CB 1.639 23 residues pruned to eliminate duplicates Z: 15 32.758 2.233 0.700 0.872 1.000 0.929 CB 1.682 15 residues pruned to eliminate duplicates Z: 17 34.516 2.244 0.923 0.806 0.938 0.562 CB 1.633 17 residues pruned to eliminate duplicates Z: 25 24.095 1.996 0.711 0.467 0.958 0.458 CB 1.555 20 residues pruned to eliminate duplicates Z: 18 42.093 2.245 1.122 0.837 0.941 0.588 CB 1.704 18 residues pruned to eliminate duplicates Z: 20 30.184 2.030 0.710 0.788 1.000 0.737 CA 1.549 16 residues pruned to eliminate duplicates Z: 15 33.502 2.238 0.704 0.892 1.000 0.857 CB 1.687 15 residues pruned to eliminate duplicates Z: 17 42.308 2.346 0.896 0.825 1.000 0.688 CB 1.794 17 residues pruned to eliminate duplicates Z: 96 63.894 2.214 0.940 0.584 0.926 0.621 CB 1.520 86 residues pruned to eliminate duplicates Z: 16 29.782 2.110 1.047 0.856 0.933 0.733 CB 1.408 16 residues pruned to eliminate duplicates Z: 40 24.365 2.043 0.645 0.486 0.923 0.615 CB 1.275 45 residues pruned to eliminate duplicates Z: 59 50.568 2.181 0.973 0.580 0.914 0.621 CB 1.564 59 residues pruned to eliminate duplicates Z: 16 30.136 2.128 0.643 0.891 1.000 0.867 CA 1.600 16 residues pruned to eliminate duplicates Z: 22 23.840 2.122 0.712 0.565 0.857 0.429 CB 1.568 22 residues pruned to eliminate duplicates Z: 14 49.272 2.360 1.284 0.892 1.000 0.846 CB 1.822 14 residues pruned to eliminate duplicates Z: 32 33.575 2.114 0.779 0.505 0.968 0.548 CB 1.649 29 residues pruned to eliminate duplicates Z: 19 36.290 2.120 0.944 0.751 0.944 0.833 CA 1.757 19 residues pruned to eliminate duplicates Z: 15 32.690 2.224 0.686 0.885 1.000 0.857 CB 1.682 15 residues pruned to eliminate duplicates Z: 27 22.786 1.966 0.543 0.503 0.962 0.538 CB 1.527 27 residues pruned to eliminate duplicates Z: 6 7.539 1.930 0.494 0.557 0.800 0.400 C 1.383 6 residues pruned to eliminate duplicates Z: 19 25.184 2.235 0.929 0.493 0.944 0.611 CB 1.467 19 residues pruned to eliminate duplicates Z: 16 42.082 2.332 1.073 0.835 0.933 0.600 CA 1.803 16 residues pruned to eliminate duplicates Z: 88 73.098 2.234 1.099 0.597 0.954 0.770 CB 1.596 73 residues pruned to eliminate duplicates Z: 16 36.588 2.247 0.976 0.845 0.933 0.733 CB 1.695 16 residues pruned to eliminate duplicates Z: 13 22.595 2.168 0.921 0.516 1.000 0.750 CB 1.542 13 residues pruned to eliminate duplicates Z: 88 57.032 2.177 0.865 0.581 0.943 0.632 CB 1.477 88 residues pruned to eliminate duplicates Z: 12 13.224 1.912 0.486 0.812 0.818 0.818 CA 1.307 12 residues pruned to eliminate duplicates Z: 37 45.686 2.213 0.961 0.671 0.917 0.750 CB 1.634 37 residues pruned to eliminate duplicates Z: 82 65.731 2.217 1.020 0.581 0.938 0.753 CB 1.608 82 residues pruned to eliminate duplicates Z: 11 23.367 2.044 0.856 0.876 1.000 0.900 CB 1.416 11 residues pruned to eliminate duplicates Z: 11 21.978 2.040 0.948 0.656 1.000 0.800 CB 1.513 11 residues pruned to eliminate duplicates Z: 16 31.673 2.138 0.701 0.889 1.000 0.800 CB 1.619 16 residues pruned to eliminate duplicates Z: 10 14.107 2.127 0.679 0.825 0.778 0.556 CB 1.278 10 residues pruned to eliminate duplicates Z: 16 33.465 2.314 0.733 0.826 0.933 0.667 CA 1.742 16 residues pruned to eliminate duplicates Z: 90 58.114 2.133 0.980 0.564 0.921 0.640 CB 1.488 90 residues pruned to eliminate duplicates Z: 130 85.314 2.251 1.036 0.614 0.915 0.682 CB 1.608 129 residues pruned to eliminate duplicates Z: 12 18.385 2.001 0.668 0.891 0.909 0.818 CB 1.314 12 residues pruned to eliminate duplicates Z: 17 27.532 2.103 0.736 0.841 0.938 0.625 CA 1.500 17 residues pruned to eliminate duplicates Z: 80 74.130 2.236 1.156 0.590 0.975 0.734 CB 1.629 80 residues pruned to eliminate duplicates Z: 34 18.443 1.936 0.565 0.510 0.848 0.606 CB 1.236 34 residues pruned to eliminate duplicates Z: 11 17.063 2.060 0.900 0.379 1.000 0.500 CA 1.567 11 residues pruned to eliminate duplicates Z: 87 62.004 2.171 0.902 0.603 0.977 0.698 CB 1.503 89 residues pruned to eliminate duplicates Z: 18 34.127 2.252 0.937 0.776 0.882 0.765 CB 1.686 18 residues pruned to eliminate duplicates Z: 16 43.813 2.304 1.158 0.859 0.933 0.667 CA 1.794 16 residues pruned to eliminate duplicates Z: 33 38.638 2.250 0.920 0.562 0.969 0.656 CB 1.536 34 residues pruned to eliminate duplicates Z: 38 32.766 2.119 0.828 0.569 0.865 0.568 CB 1.505 38 residues pruned to eliminate duplicates Z: 50 49.792 2.227 1.059 0.570 0.898 0.633 CB 1.615 50 residues pruned to eliminate duplicates Z: 86 62.839 2.204 0.991 0.582 0.929 0.624 CB 1.544 86 residues pruned to eliminate duplicates Z: 23 29.232 1.929 0.990 0.603 1.000 0.727 CA 1.471 Z: 32 34.963 2.102 0.895 0.517 0.935 0.677 CB 1.656 32 residues pruned to eliminate duplicates Z: 43 61.826 2.270 1.207 0.667 0.976 0.714 CB 1.671 43 residues pruned to eliminate duplicates Z: 32 44.050 2.204 0.969 0.663 1.000 0.710 CB 1.568 32 residues pruned to eliminate duplicates Z: 46 42.487 2.166 0.950 0.628 0.933 0.578 CB 1.424 46 residues pruned to eliminate duplicates Z: 23 22.735 1.849 0.816 0.622 0.909 0.591 CB 1.414 23 residues pruned to eliminate duplicates Z: 12 18.657 2.254 0.947 0.443 0.909 0.545 CB 1.496 12 residues pruned to eliminate duplicates Z: 31 39.832 2.205 1.101 0.566 0.900 0.733 CB 1.636 31 residues pruned to eliminate duplicates Z: 52 44.110 2.230 0.798 0.610 0.961 0.647 CB 1.444 52 residues pruned to eliminate duplicates Z: 11 24.905 2.005 1.086 0.787 0.900 0.800 CA 1.625 12 residues pruned to eliminate duplicates Z: 18 30.540 2.179 0.661 0.781 1.000 0.706 CA 1.597 18 residues pruned to eliminate duplicates Z: 115 66.827 2.136 1.011 0.562 0.904 0.658 CB 1.518 114 residues pruned to eliminate duplicates Z: 12 14.996 1.967 0.456 0.824 0.909 0.636 CB 1.312 12 residues pruned to eliminate duplicates Z: 33 29.067 2.073 0.738 0.515 0.906 0.469 CB 1.550 33 residues pruned to eliminate duplicates Z: 48 49.060 2.281 0.874 0.639 0.936 0.638 CB 1.569 48 residues pruned to eliminate duplicates Z: 84 55.338 2.146 0.941 0.577 0.916 0.711 CB 1.479 84 residues pruned to eliminate duplicates Z: 45 55.365 2.234 1.085 0.680 0.955 0.795 CB 1.592 45 residues pruned to eliminate duplicates Z: 12 24.353 1.977 1.359 0.731 0.818 0.818 CA 1.563 12 residues pruned to eliminate duplicates Z: 7 5.950 1.518 0.465 0.796 0.833 0.833 CB 1.011 7 residues pruned to eliminate duplicates Z: 13 18.222 1.958 0.907 0.655 0.833 0.667 CA 1.464 13 residues pruned to eliminate duplicates Z: 21 26.305 2.145 0.506 0.575 0.950 0.700 CB 1.782 21 residues pruned to eliminate duplicates Z: 16 33.902 2.343 0.761 0.820 0.933 0.733 CB 1.722 16 residues pruned to eliminate duplicates Z: 17 22.264 2.141 0.686 0.419 0.938 0.562 CB 1.790 17 residues pruned to eliminate duplicates Z: 39 24.385 1.944 0.877 0.461 0.868 0.684 CB 1.299 39 residues pruned to eliminate duplicates Z: 12 27.662 1.991 1.131 0.737 1.000 0.909 CB 1.589 12 residues pruned to eliminate duplicates Z: 87 67.036 2.197 1.129 0.571 0.930 0.663 CB 1.551 87 residues pruned to eliminate duplicates Z: 33 29.230 2.107 0.660 0.514 0.906 0.625 CB 1.608 33 residues pruned to eliminate duplicates Z: 24 21.794 2.054 0.572 0.546 0.870 0.652 CB 1.546 24 residues pruned to eliminate duplicates Z: 87 62.356 2.201 1.012 0.553 0.907 0.698 CB 1.589 87 residues pruned to eliminate duplicates Z: 100 74.498 2.229 1.075 0.568 0.929 0.717 CB 1.631 100 residues pruned to eliminate duplicates Z: 33 45.960 2.211 1.128 0.536 1.000 0.781 CB 1.666 33 residues pruned to eliminate duplicates Z: 56 42.205 2.111 0.829 0.602 0.909 0.673 CB 1.471 56 residues pruned to eliminate duplicates Z: 13 30.836 2.249 0.635 0.891 1.000 0.833 CB 1.741 13 residues pruned to eliminate duplicates Z: 18 35.428 2.195 1.288 0.736 0.882 0.353 CB 1.569 18 residues pruned to eliminate duplicates Z: 17 37.056 2.309 0.749 0.829 1.000 0.812 CA 1.726 17 residues pruned to eliminate duplicates Z: 12 23.548 2.005 1.173 0.720 0.818 0.818 CB 1.632 12 residues pruned to eliminate duplicates Z: 11 17.215 2.049 0.333 0.902 1.000 0.700 CA 1.422 11 residues pruned to eliminate duplicates Z: 38 41.051 2.162 1.118 0.522 0.919 0.622 CB 1.570 38 residues pruned to eliminate duplicates Z: 16 29.045 2.186 0.567 0.878 1.000 0.800 CA 1.588 16 residues pruned to eliminate duplicates Z: 17 29.697 2.044 0.999 0.882 0.875 0.562 CA 1.503 17 residues pruned to eliminate duplicates Z: 12 18.299 2.042 1.029 0.466 0.909 0.545 CB 1.517 12 residues pruned to eliminate duplicates Z: 10 12.404 2.032 0.164 0.887 1.000 0.778 CB 1.260 10 residues pruned to eliminate duplicates Z: 12 16.872 1.994 0.734 0.853 0.818 0.545 CB 1.329 12 residues pruned to eliminate duplicates Z: 12 15.246 1.938 0.536 0.827 0.909 0.727 CB 1.280 12 residues pruned to eliminate duplicates Z: 15 17.675 1.761 0.650 0.840 0.929 0.643 CB 1.306 15 residues pruned to eliminate duplicates Z: 19 23.301 2.041 0.672 0.756 0.889 0.556 CA 1.441 19 residues pruned to eliminate duplicates Z: 44 53.440 2.270 1.007 0.628 0.953 0.674 CB 1.663 44 residues pruned to eliminate duplicates Z: 12 21.758 1.884 1.238 0.653 0.909 0.818 CA 1.485 12 residues pruned to eliminate duplicates Z: 20 20.196 2.040 0.947 0.407 0.842 0.684 CB 1.528 20 residues pruned to eliminate duplicates Z: 7 8.790 1.936 0.526 0.721 0.667 0.500 CA 1.492 7 residues pruned to eliminate duplicates Z: 29 32.896 2.187 0.636 0.526 0.964 0.714 CB 1.756 29 residues pruned to eliminate duplicates Z: 6 7.755 1.903 0.046 0.729 1.000 1.000 CA 1.418 6 residues pruned to eliminate duplicates Z: 49 28.769 1.988 0.753 0.563 0.854 0.625 CB 1.312 48 residues pruned to eliminate duplicates Z: 87 58.814 2.152 1.019 0.563 0.930 0.674 CB 1.476 89 residues pruned to eliminate duplicates Z: 11 17.517 1.928 0.603 0.825 1.000 0.700 CB 1.352 11 residues pruned to eliminate duplicates Z: 50 60.987 2.299 1.199 0.588 0.939 0.653 CB 1.687 51 residues pruned to eliminate duplicates Z: 46 47.741 2.190 1.007 0.526 0.956 0.689 CB 1.652 46 residues pruned to eliminate duplicates Z: 16 22.997 2.104 0.729 0.538 1.000 0.667 CB 1.573 16 residues pruned to eliminate duplicates Z: 65 48.678 2.163 0.921 0.543 0.922 0.656 CB 1.522 97 residues pruned to eliminate duplicates Z: 12 25.201 2.007 1.148 0.698 0.909 0.818 CA 1.618 12 residues pruned to eliminate duplicates Z: 52 46.684 2.227 0.866 0.616 0.961 0.569 CB 1.468 52 residues pruned to eliminate duplicates Z: 59 63.637 2.286 1.140 0.577 0.948 0.655 CB 1.673 59 residues pruned to eliminate duplicates Z: 17 48.501 2.340 1.182 0.832 1.000 0.750 CA 1.782 17 residues pruned to eliminate duplicates Z: 38 42.276 2.152 1.056 0.531 0.973 0.757 CB 1.567 38 residues pruned to eliminate duplicates Z: 25 22.105 1.825 0.945 0.530 0.958 0.708 CA 1.288 25 residues pruned to eliminate duplicates Z: 16 15.903 1.928 0.554 0.854 0.733 0.533 CB 1.381 16 residues pruned to eliminate duplicates Z: 10 19.934 2.077 0.776 0.657 1.000 0.778 CB 1.557 10 residues pruned to eliminate duplicates Z: 59 39.310 2.152 0.776 0.616 0.862 0.638 CB 1.403 60 residues pruned to eliminate duplicates Z: 18 24.184 2.016 0.608 0.743 1.000 0.765 CA 1.456 18 residues pruned to eliminate duplicates Z: 11 19.951 1.940 0.797 0.895 1.000 0.900 CB 1.297 11 residues pruned to eliminate duplicates Z: 130 87.505 2.252 1.043 0.617 0.938 0.729 CB 1.599 130 residues pruned to eliminate duplicates Z: 98 66.190 2.177 0.972 0.605 0.928 0.701 CB 1.527 98 residues pruned to eliminate duplicates Z: 37 23.868 1.872 0.651 0.535 0.972 0.528 CB 1.280 37 residues pruned to eliminate duplicates Z: 63 64.302 2.264 1.162 0.590 0.935 0.661 CB 1.636 63 residues pruned to eliminate duplicates Z: 16 27.955 2.256 0.482 0.841 1.000 0.733 CB 1.611 16 residues pruned to eliminate duplicates Z: 44 38.510 2.210 0.778 0.625 0.884 0.605 CB 1.503 44 residues pruned to eliminate duplicates Z: 10 19.467 2.068 1.156 0.789 0.889 0.444 CB 1.269 10 residues pruned to eliminate duplicates Z: 12 14.797 1.911 0.392 0.818 1.000 0.727 CB 1.273 12 residues pruned to eliminate duplicates Z: 10 22.096 2.238 0.850 0.631 1.000 1.000 CA 1.574 10 residues pruned to eliminate duplicates Z: 10 17.897 2.014 0.610 0.818 0.889 0.889 CB 1.570 10 residues pruned to eliminate duplicates Z: 86 60.991 2.214 0.867 0.584 0.941 0.624 CB 1.568 86 residues pruned to eliminate duplicates Z: 49 52.745 2.221 0.977 0.608 0.958 0.667 CB 1.633 49 residues pruned to eliminate duplicates Z: 84 61.506 2.193 0.950 0.599 0.964 0.711 CB 1.490 84 residues pruned to eliminate duplicates Z: 23 20.145 1.887 0.802 0.591 0.909 0.727 CB 1.274 Z: 47 52.658 2.244 0.980 0.616 0.957 0.674 CB 1.637 47 residues pruned to eliminate duplicates Z: 129 77.167 2.232 0.967 0.596 0.914 0.648 CB 1.550 129 residues pruned to eliminate duplicates Z: 11 11.645 2.047 0.229 0.768 1.000 0.800 CB 1.154 11 residues pruned to eliminate duplicates Z: 23 17.261 1.864 0.795 0.536 0.818 0.682 CA 1.298 23 residues pruned to eliminate duplicates Z: 12 24.664 2.002 1.152 0.679 0.909 0.818 CB 1.611 12 residues pruned to eliminate duplicates Z: 9 16.493 1.920 0.708 0.871 1.000 0.875 CB 1.297 9 residues pruned to eliminate duplicates Z: 120 61.319 2.128 0.796 0.566 0.950 0.672 CB 1.453 120 residues pruned to eliminate duplicates Z: 84 68.342 2.215 1.008 0.610 0.976 0.735 CB 1.557 84 residues pruned to eliminate duplicates Z: 10 21.572 2.064 0.827 0.861 1.000 0.556 CB 1.402 10 residues pruned to eliminate duplicates Z: 83 64.385 2.187 1.023 0.557 0.951 0.768 CB 1.598 83 residues pruned to eliminate duplicates Z: 19 14.587 2.073 0.397 0.517 0.889 0.444 CB 1.313 19 residues pruned to eliminate duplicates Z: 32 24.284 2.002 0.748 0.403 0.903 0.452 CB 1.529 Z: 88 56.493 2.140 1.040 0.565 0.885 0.621 CB 1.472 88 residues pruned to eliminate duplicates Z: 129 84.565 2.227 1.060 0.622 0.922 0.727 CB 1.576 129 residues pruned to eliminate duplicates Z: 130 74.927 2.206 0.915 0.589 0.930 0.682 CB 1.542 130 residues pruned to eliminate duplicates Z: 10 19.943 2.071 0.497 0.903 1.000 1.000 CA 1.529 10 residues pruned to eliminate duplicates Z: 38 41.194 2.169 0.993 0.532 0.973 0.676 CB 1.561 38 residues pruned to eliminate duplicates Z: 11 16.852 2.051 0.703 0.897 0.900 0.700 CB 1.214 11 residues pruned to eliminate duplicates Z: 10 15.190 2.050 0.287 0.913 1.000 0.889 CB 1.358 10 residues pruned to eliminate duplicates Z: 15 27.115 2.172 0.773 0.847 0.929 0.857 CB 1.505 15 residues pruned to eliminate duplicates Z: 15 7.305 1.765 0.548 0.297 0.714 0.429 CB 1.255 15 residues pruned to eliminate duplicates Z: 23 22.804 1.880 0.832 0.605 0.955 0.727 CA 1.339 23 residues pruned to eliminate duplicates Z: 15 38.114 2.239 1.004 0.902 1.000 0.857 CB 1.619 15 residues pruned to eliminate duplicates Z: 84 58.264 2.202 0.909 0.583 0.940 0.723 CB 1.495 84 residues pruned to eliminate duplicates Z: 32 30.308 2.096 0.776 0.489 0.968 0.548 CB 1.528 32 residues pruned to eliminate duplicates Z: 74 60.355 2.222 1.006 0.555 0.959 0.685 CB 1.567 74 residues pruned to eliminate duplicates Z: 92 56.654 2.158 0.841 0.576 0.923 0.659 CB 1.504 92 residues pruned to eliminate duplicates Z: 15 33.674 2.289 0.990 0.819 0.929 0.643 CB 1.614 15 residues pruned to eliminate duplicates Z: 6 5.632 1.731 0.179 0.654 1.000 0.400 CA 1.070 5 residues pruned to eliminate duplicates Z: 47 34.515 2.163 0.658 0.607 0.870 0.674 CB 1.474 47 residues pruned to eliminate duplicates Z: 10 17.282 2.108 0.289 0.889 1.000 1.000 CB 1.527 10 residues pruned to eliminate duplicates Z: 38 41.322 2.134 1.069 0.518 0.973 0.622 CB 1.553 38 residues pruned to eliminate duplicates Z: 33 50.817 2.236 1.064 0.705 0.969 0.688 CB 1.668 33 residues pruned to eliminate duplicates Z: 14 22.537 2.164 1.226 0.496 0.846 0.692 CA 1.540 14 residues pruned to eliminate duplicates Z: 82 68.567 2.221 1.076 0.583 0.951 0.716 CB 1.605 82 residues pruned to eliminate duplicates Z: 39 39.197 2.023 1.083 0.533 0.947 0.579 CB 1.543 39 residues pruned to eliminate duplicates Z: 11 18.633 1.962 0.613 0.870 1.000 0.800 CB 1.359 11 residues pruned to eliminate duplicates Z: 25 23.660 1.816 0.825 0.595 1.000 0.708 CB 1.332 23 residues pruned to eliminate duplicates Z: 131 75.787 2.209 0.999 0.589 0.892 0.692 CB 1.549 131 residues pruned to eliminate duplicates Z: 86 62.564 2.164 0.964 0.577 0.965 0.765 CB 1.538 86 residues pruned to eliminate duplicates Z: 40 42.254 2.157 0.822 0.651 0.949 0.641 CB 1.577 40 residues pruned to eliminate duplicates Z: 35 31.383 2.056 1.141 0.444 0.882 0.559 CB 1.467 35 residues pruned to eliminate duplicates Z: 43 36.267 2.058 0.858 0.636 0.881 0.571 CB 1.463 43 residues pruned to eliminate duplicates Z: 15 38.681 2.241 1.070 0.876 0.929 0.857 CB 1.744 15 residues pruned to eliminate duplicates Z: 11 12.743 1.913 0.282 0.860 1.000 0.800 CA 1.209 11 residues pruned to eliminate duplicates Z: 40 30.644 2.126 0.613 0.583 0.923 0.692 CB 1.431 40 residues pruned to eliminate duplicates Z: 6 6.321 1.941 -0.316 0.794 1.000 0.400 CA 1.646 6 residues pruned to eliminate duplicates Z: 11 14.697 2.080 0.721 0.796 0.800 0.600 CB 1.253 11 residues pruned to eliminate duplicates Z: 11 23.059 2.207 1.383 0.585 0.800 0.800 CA 1.597 11 residues pruned to eliminate duplicates Z: 7 12.393 1.978 0.258 0.873 1.000 0.833 CA 1.481 7 residues pruned to eliminate duplicates Z: 10 13.976 1.944 0.339 0.900 1.000 0.889 CB 1.278 10 residues pruned to eliminate duplicates Z: 51 42.927 2.235 0.820 0.611 0.920 0.720 CB 1.461 51 residues pruned to eliminate duplicates Z: 128 75.630 2.209 0.912 0.577 0.945 0.654 CB 1.562 128 residues pruned to eliminate duplicates Z: 15 25.805 2.257 0.665 0.765 0.857 0.714 CB 1.692 15 residues pruned to eliminate duplicates Z: 15 31.251 2.246 0.790 0.893 0.929 0.714 CB 1.606 18 residues pruned to eliminate duplicates Z: 7 10.797 2.076 1.019 0.354 0.833 0.500 CA 1.478 7 residues pruned to eliminate duplicates Z: 48 52.721 2.203 1.060 0.628 0.936 0.723 CB 1.604 48 residues pruned to eliminate duplicates Z: 91 44.300 2.070 0.786 0.551 0.922 0.600 CB 1.303 91 residues pruned to eliminate duplicates Z: 100 75.650 2.233 1.100 0.593 0.939 0.717 CB 1.579 100 residues pruned to eliminate duplicates Z: 6 6.827 1.659 0.826 0.473 0.800 0.800 C 1.294 6 residues pruned to eliminate duplicates Z: 24 23.504 2.037 0.681 0.578 0.870 0.696 CB 1.528 24 residues pruned to eliminate duplicates Z: 18 28.814 2.294 0.998 0.540 0.941 0.706 CB 1.558 18 residues pruned to eliminate duplicates Z: 6 12.356 1.916 0.586 0.847 1.000 0.800 CA 1.351 6 residues pruned to eliminate duplicates Z: 32 29.116 2.058 0.776 0.522 0.935 0.645 CB 1.497 31 residues pruned to eliminate duplicates Z: 20 34.814 2.227 0.880 0.740 0.947 0.737 CB 1.624 20 residues pruned to eliminate duplicates Z: 49 45.836 2.260 0.932 0.552 0.896 0.646 CB 1.609 49 residues pruned to eliminate duplicates Z: 18 21.354 2.174 0.751 0.459 0.882 0.588 CB 1.608 18 residues pruned to eliminate duplicates Z: 45 56.302 2.245 1.211 0.617 0.909 0.614 CB 1.685 46 residues pruned to eliminate duplicates Z: 51 40.093 2.155 0.928 0.521 0.920 0.680 CB 1.454 51 residues pruned to eliminate duplicates Z: 19 43.346 2.165 1.082 0.820 1.000 0.611 CA 1.716 19 residues pruned to eliminate duplicates Z: 129 76.710 2.189 0.956 0.612 0.930 0.680 CB 1.532 131 residues pruned to eliminate duplicates Z: 29 40.699 2.211 0.887 0.556 0.964 0.607 CA 1.811 33 residues pruned to eliminate duplicates Z: 10 15.334 2.036 0.342 0.893 1.000 0.889 CB 1.343 10 residues pruned to eliminate duplicates Z: 30 33.388 2.168 0.724 0.552 0.931 0.690 CB 1.694 30 residues pruned to eliminate duplicates Z: 18 14.112 1.826 0.634 0.526 0.882 0.471 CB 1.267 15 residues pruned to eliminate duplicates Z: 15 22.182 2.099 0.591 0.876 1.000 0.714 CB 1.290 15 residues pruned to eliminate duplicates Z: 24 20.595 1.863 0.786 0.564 0.913 0.609 CA 1.328 24 residues pruned to eliminate duplicates Z: 11 16.737 2.054 0.529 0.805 0.900 0.600 CA 1.435 11 residues pruned to eliminate duplicates Z: 11 15.512 1.786 0.928 0.623 1.000 0.900 CB 1.268 12 residues pruned to eliminate duplicates Z: 26 20.292 1.816 0.679 0.579 0.960 0.680 CB 1.285 26 residues pruned to eliminate duplicates Z: 9 5.836 1.716 0.034 0.557 0.875 0.375 CB 1.258 9 residues pruned to eliminate duplicates Z: 6 6.304 1.590 0.241 0.832 1.000 0.800 CA 1.073 6 residues pruned to eliminate duplicates Z: 46 57.388 2.245 1.195 0.600 0.933 0.689 CB 1.691 46 residues pruned to eliminate duplicates Z: 23 22.859 1.928 0.899 0.561 0.955 0.727 CB 1.315 24 residues pruned to eliminate duplicates Z: 12 11.788 1.674 0.557 0.524 1.000 0.636 CB 1.332 12 residues pruned to eliminate duplicates Z: 14 36.704 2.289 0.939 0.889 1.000 0.923 CB 1.651 14 residues pruned to eliminate duplicates Z: 29 33.524 2.148 0.765 0.551 0.964 0.536 CB 1.649 29 residues pruned to eliminate duplicates Z: 16 40.066 2.176 1.062 0.867 1.000 0.667 CA 1.687 16 residues pruned to eliminate duplicates Z: 12 13.903 1.936 0.569 0.797 0.818 0.727 CB 1.300 12 residues pruned to eliminate duplicates Z: 20 22.520 2.163 0.946 0.440 0.842 0.474 CB 1.552 20 residues pruned to eliminate duplicates Z: 6 4.946 1.503 0.753 0.635 0.800 0.400 N 0.924 6 residues pruned to eliminate duplicates Z: 54 37.433 2.169 0.700 0.580 0.868 0.660 CB 1.487 54 residues pruned to eliminate duplicates Z: 102 67.401 2.213 0.931 0.535 0.941 0.673 CB 1.613 102 residues pruned to eliminate duplicates Z: 15 32.387 2.157 0.735 0.919 1.000 0.786 CB 1.631 15 residues pruned to eliminate duplicates Z: 12 20.120 1.952 0.745 0.882 1.000 0.727 CB 1.288 12 residues pruned to eliminate duplicates Z: 23 20.879 1.871 0.664 0.599 0.955 0.682 CA 1.363 23 residues pruned to eliminate duplicates Z: 36 47.101 2.178 1.127 0.604 1.000 0.743 CB 1.556 36 residues pruned to eliminate duplicates Z: 25 23.110 1.814 1.015 0.581 0.917 0.750 CB 1.302 25 residues pruned to eliminate duplicates Z: 14 29.782 2.225 0.827 0.887 1.000 0.308 CB 1.465 14 residues pruned to eliminate duplicates Z: 16 40.272 2.312 1.184 0.803 0.933 0.533 CA 1.693 16 residues pruned to eliminate duplicates Z: 16 40.509 2.285 1.127 0.809 1.000 0.733 CA 1.645 16 residues pruned to eliminate duplicates Z: 14 12.319 1.915 0.675 0.424 0.769 0.538 CB 1.498 14 residues pruned to eliminate duplicates Z: 6 2.524 1.646 0.230 0.459 0.800 0.600 CB 0.727 6 residues pruned to eliminate duplicates Z: 6 4.150 1.735 0.459 0.636 0.600 0.600 CB 1.076 6 residues pruned to eliminate duplicates Z: 23 25.782 1.925 0.968 0.601 0.909 0.818 CB 1.450 23 residues pruned to eliminate duplicates Z: 135 76.301 2.200 0.964 0.596 0.918 0.664 CB 1.517 135 residues pruned to eliminate duplicates Z: 11 13.539 1.873 0.276 0.890 1.000 0.800 CB 1.289 11 residues pruned to eliminate duplicates Z: 19 49.783 2.355 1.280 0.742 1.000 0.722 CB 1.759 19 residues pruned to eliminate duplicates Z: 24 19.834 1.861 0.689 0.535 0.957 0.739 CB 1.330 24 residues pruned to eliminate duplicates Z: 83 68.145 2.208 1.061 0.593 0.939 0.707 CB 1.611 83 residues pruned to eliminate duplicates Z: 60 33.332 2.088 0.763 0.541 0.847 0.644 CB 1.336 60 residues pruned to eliminate duplicates Z: 99 62.795 2.212 0.921 0.569 0.929 0.684 CB 1.504 99 residues pruned to eliminate duplicates Z: 27 22.910 2.080 0.680 0.538 0.885 0.654 CB 1.401 27 residues pruned to eliminate duplicates Z: 20 19.741 2.104 0.900 0.468 0.842 0.632 CA 1.389 20 residues pruned to eliminate duplicates Z: 16 30.742 2.215 0.714 0.847 0.867 0.667 CA 1.791 16 residues pruned to eliminate duplicates Z: 7 6.032 1.564 0.626 0.547 0.833 0.500 CB 1.111 7 residues pruned to eliminate duplicates Z: 18 21.918 2.258 0.634 0.437 1.000 0.706 CB 1.538 18 residues pruned to eliminate duplicates Z: 32 45.240 2.167 1.025 0.677 0.968 0.613 CB 1.625 29 residues pruned to eliminate duplicates Z: 23 28.653 1.830 1.208 0.628 0.909 0.727 CA 1.474 23 residues pruned to eliminate duplicates Z: 50 51.230 2.158 1.125 0.582 0.898 0.633 CB 1.642 45 residues pruned to eliminate duplicates Z: 13 15.758 2.053 0.869 0.569 0.750 0.583 CB 1.478 13 residues pruned to eliminate duplicates Z: 19 31.423 2.169 0.802 0.789 0.944 0.667 CA 1.556 19 residues pruned to eliminate duplicates Z: 15 26.218 2.112 0.826 0.849 1.000 0.714 CB 1.347 15 residues pruned to eliminate duplicates Z: 35 24.968 2.131 0.607 0.475 0.941 0.500 CB 1.363 35 residues pruned to eliminate duplicates Z: 34 43.706 2.103 1.275 0.557 0.970 0.697 CB 1.552 34 residues pruned to eliminate duplicates Z: 16 8.578 1.531 1.053 0.305 0.867 0.467 CA 1.010 16 residues pruned to eliminate duplicates Z: 10 31.356 2.174 1.262 0.701 1.000 1.000 CA 1.769 10 residues pruned to eliminate duplicates Z: 55 44.928 2.207 0.761 0.612 0.944 0.667 CB 1.498 55 residues pruned to eliminate duplicates Z: 74 57.058 2.167 0.912 0.619 0.945 0.685 CB 1.525 74 residues pruned to eliminate duplicates Z: 23 26.522 1.996 0.700 0.588 1.000 0.682 CB 1.532 23 residues pruned to eliminate duplicates Z: 10 11.904 1.927 0.775 0.743 0.778 0.444 CB 1.199 10 residues pruned to eliminate duplicates Z: 17 32.239 2.230 0.669 0.771 1.000 0.688 CB 1.703 17 residues pruned to eliminate duplicates Z: 24 25.421 1.860 1.103 0.592 0.913 0.783 CB 1.359 24 residues pruned to eliminate duplicates Z: 6 18.266 2.088 0.856 0.848 1.000 0.800 CA 1.563 6 residues pruned to eliminate duplicates Z: 24 21.543 1.881 0.804 0.615 0.957 0.739 CB 1.242 24 residues pruned to eliminate duplicates Z: 46 51.460 2.187 1.036 0.654 0.956 0.711 CB 1.562 46 residues pruned to eliminate duplicates Z: 53 35.629 2.128 0.772 0.615 0.865 0.615 CB 1.358 53 residues pruned to eliminate duplicates Z: 28 33.261 2.065 0.978 0.527 0.963 0.519 CB 1.584 28 residues pruned to eliminate duplicates Z: 7 6.882 1.738 0.763 0.606 0.833 0.667 CB 0.995 Z: 10 5.628 1.797 0.604 0.313 0.556 0.444 C 1.441 10 residues pruned to eliminate duplicates Z: 13 7.764 1.763 0.604 0.317 0.917 0.583 CB 1.058 13 residues pruned to eliminate duplicates Z: 47 54.766 2.231 1.084 0.644 0.957 0.696 CB 1.588 47 residues pruned to eliminate duplicates Z: 35 36.859 2.130 1.008 0.554 0.941 0.735 CB 1.490 35 residues pruned to eliminate duplicates Z: 19 47.961 2.123 1.348 0.852 1.000 0.778 CA 1.678 25 residues pruned to eliminate duplicates Z: 89 54.428 2.131 0.897 0.562 0.909 0.625 CB 1.486 89 residues pruned to eliminate duplicates Z: 73 49.661 2.173 0.982 0.532 0.889 0.694 CB 1.481 73 residues pruned to eliminate duplicates Z: 50 55.351 2.273 1.131 0.563 0.898 0.653 CB 1.711 50 residues pruned to eliminate duplicates Z: 49 40.843 2.214 0.694 0.624 0.938 0.604 CB 1.492 49 residues pruned to eliminate duplicates Z: 10 20.429 1.911 0.777 0.867 1.000 0.556 CB 1.467 10 residues pruned to eliminate duplicates Z: 11 13.375 1.864 0.636 0.828 0.900 0.800 CB 1.161 11 residues pruned to eliminate duplicates Z: 15 23.127 2.132 0.592 0.869 0.857 0.786 CB 1.552 15 residues pruned to eliminate duplicates Z: 6 7.449 1.806 0.948 0.487 0.800 0.600 CB 1.199 6 residues pruned to eliminate duplicates Z: 7 7.586 1.835 0.412 0.735 0.833 0.667 CB 1.161 7 residues pruned to eliminate duplicates Z: 6 3.271 1.642 0.484 0.485 0.800 0.600 CB 0.762 Z: 7 3.347 1.772 0.412 0.211 0.667 0.333 CB 1.152 7 residues pruned to eliminate duplicates Z: 11 18.258 1.870 0.611 0.887 1.000 0.800 CB 1.382 11 residues pruned to eliminate duplicates Z: 32 39.031 2.194 0.993 0.472 1.000 0.613 CB 1.649 32 residues pruned to eliminate duplicates Z: 12 16.533 1.854 0.650 0.867 0.909 0.818 CB 1.311 12 residues pruned to eliminate duplicates Z: 63 55.383 2.183 0.996 0.561 0.984 0.677 CB 1.546 63 residues pruned to eliminate duplicates Z: 16 25.142 2.284 0.929 0.738 0.800 0.733 CB 1.487 16 residues pruned to eliminate duplicates Z: 15 8.027 1.883 0.548 0.466 0.786 0.429 CB 0.970 15 residues pruned to eliminate duplicates Z: 8 7.026 1.732 0.563 0.314 0.857 0.429 CA 1.406 8 residues pruned to eliminate duplicates Z: 10 23.302 1.994 1.157 0.657 1.000 0.778 CA 1.561 10 residues pruned to eliminate duplicates Z: 11 12.174 1.855 0.421 0.684 1.000 0.900 CB 1.234 11 residues pruned to eliminate duplicates Z: 26 17.406 1.845 0.617 0.496 0.880 0.720 CB 1.331 26 residues pruned to eliminate duplicates Z: 8 15.061 2.110 0.481 0.611 1.000 0.714 CA 1.640 8 residues pruned to eliminate duplicates Z: 49 41.092 2.184 0.743 0.620 0.938 0.562 CB 1.482 49 residues pruned to eliminate duplicates Z: 31 47.816 2.178 1.038 0.723 1.000 0.733 CB 1.609 31 residues pruned to eliminate duplicates Z: 69 57.012 2.176 1.065 0.535 0.941 0.632 CB 1.579 69 residues pruned to eliminate duplicates Z: 27 22.340 2.034 0.640 0.552 0.962 0.615 CB 1.298 27 residues pruned to eliminate duplicates Z: 48 39.365 2.206 0.821 0.621 0.872 0.681 CB 1.462 48 residues pruned to eliminate duplicates Z: 47 60.111 2.278 1.235 0.620 0.957 0.696 CB 1.625 45 residues pruned to eliminate duplicates Z: 12 14.677 1.868 1.038 0.490 0.909 0.636 CB 1.291 12 residues pruned to eliminate duplicates Z: 19 23.955 2.248 0.731 0.517 0.944 0.722 CB 1.512 19 residues pruned to eliminate duplicates Z: 12 25.079 2.128 1.108 0.714 1.000 0.909 CA 1.389 12 residues pruned to eliminate duplicates Z: 15 16.164 1.698 0.612 0.860 0.929 0.357 CB 1.250 15 residues pruned to eliminate duplicates Z: 6 4.248 1.591 -0.148 0.805 1.000 1.000 N 1.074 Z: 32 23.028 2.116 0.792 0.532 0.839 0.645 CB 1.260 32 residues pruned to eliminate duplicates Z: 8 2.758 1.649 -0.013 0.227 0.714 0.429 CB 1.234 Z: 12 15.642 1.896 0.522 0.742 1.000 0.727 CB 1.316 12 residues pruned to eliminate duplicates Z: 9 10.904 1.789 0.819 0.569 0.875 0.625 CA 1.267 9 residues pruned to eliminate duplicates Z: 21 24.171 2.005 0.899 0.662 0.900 0.500 CB 1.358 21 residues pruned to eliminate duplicates Z: 51 51.084 2.216 1.024 0.583 0.920 0.620 CB 1.617 51 residues pruned to eliminate duplicates Z: 62 41.614 2.103 1.001 0.486 0.902 0.639 CB 1.424 62 residues pruned to eliminate duplicates Z: 36 47.252 2.184 1.157 0.576 0.971 0.829 CB 1.623 36 residues pruned to eliminate duplicates Z: 16 31.537 2.027 0.931 0.885 1.000 0.867 CA 1.502 16 residues pruned to eliminate duplicates Z: 87 59.866 2.160 0.922 0.567 0.953 0.640 CB 1.529 87 residues pruned to eliminate duplicates Z: 93 60.865 2.196 0.971 0.556 0.891 0.728 CB 1.558 93 residues pruned to eliminate duplicates Z: 19 15.473 1.882 0.546 0.502 0.889 0.333 CB 1.407 19 residues pruned to eliminate duplicates Z: 52 41.935 2.152 1.009 0.530 0.882 0.549 CB 1.495 52 residues pruned to eliminate duplicates Z: 17 33.378 2.196 0.783 0.768 1.000 0.562 CB 1.681 17 residues pruned to eliminate duplicates Z: 18 31.158 2.216 0.879 0.634 1.000 0.824 CB 1.600 18 residues pruned to eliminate duplicates Z: 32 50.910 2.248 1.110 0.675 0.968 0.806 CB 1.696 32 residues pruned to eliminate duplicates Z: 7 8.019 1.548 0.503 0.887 1.000 1.000 CB 1.014 7 residues pruned to eliminate duplicates Z: 15 37.454 2.221 0.863 0.875 1.000 0.857 CA 1.759 15 residues pruned to eliminate duplicates Z: 12 6.766 1.471 0.447 0.702 0.909 0.364 CB 0.877 11 residues pruned to eliminate duplicates Z: 18 29.286 2.134 0.666 0.782 0.941 0.588 CB 1.655 18 residues pruned to eliminate duplicates Z: 17 25.495 1.946 1.197 0.530 0.938 0.750 CB 1.543 17 residues pruned to eliminate duplicates Z: 25 18.309 1.765 0.785 0.519 0.958 0.750 CB 1.215 25 residues pruned to eliminate duplicates Z: 10 10.916 1.867 1.313 0.514 0.667 0.667 CB 1.246 10 residues pruned to eliminate duplicates Z: 22 25.177 1.896 1.010 0.624 0.905 0.667 CA 1.417 22 residues pruned to eliminate duplicates Z: 84 60.401 2.165 1.055 0.570 0.904 0.783 CB 1.541 84 residues pruned to eliminate duplicates Z: 57 47.321 2.186 1.080 0.536 0.875 0.571 CB 1.534 57 residues pruned to eliminate duplicates Z: 29 37.320 2.112 1.108 0.543 0.964 0.750 CB 1.575 29 residues pruned to eliminate duplicates Z: 23 19.284 1.938 0.649 0.563 0.909 0.727 CB 1.330 23 residues pruned to eliminate duplicates Z: 13 11.169 1.864 0.558 0.615 0.917 0.500 CB 1.086 13 residues pruned to eliminate duplicates Z: 11 29.299 2.073 1.281 0.741 1.000 1.000 CA 1.579 11 residues pruned to eliminate duplicates Z: 85 59.049 2.144 0.885 0.612 0.964 0.643 CB 1.486 85 residues pruned to eliminate duplicates 6 1.872 1.231 0.408 0.299 0.800 0.600 N 0.756 ? Z: 34 35.697 2.110 0.964 0.572 0.939 0.788 CB 1.489 34 residues pruned to eliminate duplicates Z: 24 34.720 2.128 1.250 0.520 0.913 0.609 CA 1.624 24 residues pruned to eliminate duplicates Z: 33 44.673 2.156 1.190 0.572 0.969 0.812 CB 1.610 33 residues pruned to eliminate duplicates Z: 48 42.731 2.192 0.790 0.670 0.915 0.723 CB 1.483 48 residues pruned to eliminate duplicates Z: 129 83.580 2.224 1.004 0.598 0.961 0.695 CB 1.570 129 residues pruned to eliminate duplicates 7 1.932 1.231 0.092 0.402 1.000 0.667 CB 0.650 ? Z: 15 28.111 2.186 0.553 0.857 1.000 0.857 CA 1.631 15 residues pruned to eliminate duplicates Z: 17 34.658 2.151 1.084 0.794 1.000 0.812 CA 1.493 17 residues pruned to eliminate duplicates Z: 12 10.319 1.649 0.774 0.488 0.909 0.636 CA 1.183 12 residues pruned to eliminate duplicates Z: 54 56.436 2.262 1.125 0.550 0.925 0.642 CB 1.662 54 residues pruned to eliminate duplicates Z: 8 5.411 1.756 0.462 0.571 0.714 0.429 CB 1.041 8 residues pruned to eliminate duplicates Z: 10 16.191 1.977 0.511 0.880 1.000 0.889 CB 1.309 10 residues pruned to eliminate duplicates Z: 85 57.247 2.187 0.840 0.573 0.940 0.655 CB 1.538 85 residues pruned to eliminate duplicates Z: 13 31.936 2.294 0.998 0.717 1.000 0.750 CB 1.653 13 residues pruned to eliminate duplicates Z: 10 2.965 1.407 0.096 0.330 0.667 0.444 O 1.158 10 residues pruned to eliminate duplicates Z: 17 16.827 1.883 1.021 0.513 0.750 0.625 CA 1.455 17 residues pruned to eliminate duplicates Z: 87 57.141 2.175 0.900 0.546 0.930 0.663 CB 1.532 87 residues pruned to eliminate duplicates Z: 13 35.622 2.165 1.075 0.913 1.000 0.917 CB 1.620 13 residues pruned to eliminate duplicates Z: 36 34.386 2.143 0.794 0.639 0.914 0.686 CB 1.452 36 residues pruned to eliminate duplicates Z: 27 28.898 2.068 0.928 0.540 0.923 0.615 CB 1.481 27 residues pruned to eliminate duplicates Z: 25 30.987 2.142 1.048 0.489 0.958 0.750 CB 1.522 25 residues pruned to eliminate duplicates Z: 24 42.363 2.195 1.034 0.705 0.957 0.739 CB 1.718 24 residues pruned to eliminate duplicates Z: 6 2.564 1.614 0.166 0.414 1.000 0.800 CB 0.667 Z: 14 12.566 1.804 0.446 0.757 0.846 0.538 CB 1.257 14 residues pruned to eliminate duplicates Z: 32 41.059 2.173 1.066 0.560 0.968 0.677 CB 1.601 32 residues pruned to eliminate duplicates Z: 6 8.176 1.751 0.281 0.708 1.000 0.600 CB 1.349 6 residues pruned to eliminate duplicates Z: 23 28.278 2.076 0.661 0.678 1.000 0.773 CB 1.485 23 residues pruned to eliminate duplicates Z: 7 4.013 1.139 0.655 0.630 1.000 0.333 CB 0.769 Z: 6 2.773 1.502 -0.076 0.469 1.000 0.600 CB 0.922 Z: 45 42.196 2.127 1.023 0.536 0.909 0.727 CB 1.569 45 residues pruned to eliminate duplicates Z: 8 3.909 1.526 0.195 0.329 0.857 0.429 CB 1.140 3 residues pruned to eliminate duplicates Z: 24 22.752 1.835 0.782 0.580 1.000 0.652 CA 1.344 24 residues pruned to eliminate duplicates Z: 58 64.434 2.262 1.156 0.596 0.947 0.719 CB 1.685 58 residues pruned to eliminate duplicates Z: 51 34.461 2.057 0.670 0.609 0.920 0.700 CB 1.390 51 residues pruned to eliminate duplicates Z: 27 22.196 2.018 0.701 0.553 0.923 0.577 CB 1.304 27 residues pruned to eliminate duplicates Z: 7 15.028 2.044 0.911 0.494 1.000 0.833 CA 1.580 7 residues pruned to eliminate duplicates Z: 40 55.112 2.264 1.101 0.655 0.974 0.692 CB 1.649 40 residues pruned to eliminate duplicates Z: 20 28.862 1.995 0.827 0.770 1.000 0.737 CB 1.430 20 residues pruned to eliminate duplicates Z: 13 18.105 1.933 0.572 0.797 0.917 0.833 CB 1.446 13 residues pruned to eliminate duplicates Z: 24 15.374 1.827 0.590 0.545 0.826 0.435 CB 1.279 25 residues pruned to eliminate duplicates Z: 34 31.032 2.046 0.952 0.619 0.909 0.758 CB 1.329 34 residues pruned to eliminate duplicates Z: 14 18.992 1.879 0.775 0.748 0.923 0.769 CA 1.371 14 residues pruned to eliminate duplicates Z: 94 50.985 2.100 0.793 0.545 0.903 0.656 CB 1.488 94 residues pruned to eliminate duplicates Z: 60 43.918 2.164 0.842 0.580 0.881 0.695 CB 1.507 60 residues pruned to eliminate duplicates Z: 12 20.087 1.919 0.895 0.745 0.909 0.636 CB 1.472 12 residues pruned to eliminate duplicates Z: 16 15.613 1.968 0.745 0.382 0.867 0.600 CA 1.536 16 residues pruned to eliminate duplicates Z: 50 53.658 2.264 1.127 0.592 0.898 0.612 CB 1.624 50 residues pruned to eliminate duplicates Z: 28 24.558 2.094 0.808 0.485 0.926 0.667 CB 1.368 28 residues pruned to eliminate duplicates Z: 15 18.250 2.047 0.824 0.474 0.857 0.714 CB 1.565 15 residues pruned to eliminate duplicates Z: 40 38.711 2.206 1.032 0.463 0.923 0.769 CB 1.556 40 residues pruned to eliminate duplicates Z: 6 2.404 1.516 0.293 0.293 0.600 0.400 CA 1.154 Z: 22 21.908 1.865 0.772 0.672 0.905 0.667 CB 1.364 22 residues pruned to eliminate duplicates Z: 8 2.314 1.417 0.061 0.305 0.714 0.286 CB 1.012 8 residues pruned to eliminate duplicates Z: 114 66.632 2.157 0.969 0.550 0.912 0.664 CB 1.542 114 residues pruned to eliminate duplicates Z: 10 22.624 2.042 0.826 0.870 1.000 0.667 CB 1.475 10 residues pruned to eliminate duplicates Z: 10 6.771 1.774 0.418 0.494 0.778 0.444 CA 1.161 10 residues pruned to eliminate duplicates Z: 24 18.593 1.831 0.717 0.516 0.913 0.652 CA 1.329 24 residues pruned to eliminate duplicates Z: 9 22.789 2.095 1.024 0.780 1.000 0.750 CB 1.484 9 residues pruned to eliminate duplicates Z: 59 46.057 2.080 0.924 0.544 0.948 0.724 CB 1.526 59 residues pruned to eliminate duplicates Z: 7 4.035 1.456 0.487 0.302 0.833 0.333 N 1.138 378 residues left after pruning, divided into chains as follows: A: 23 B: 170 C: 33 D: 133 E: 19 CC for partial structure against native data = 44.06 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.457, Connect. = 0.695 for dens.mod. cycle 1 = 0.300, Contrast = 0.538, Connect. = 0.733 for dens.mod. cycle 2 = 0.300, Contrast = 0.650, Connect. = 0.763 for dens.mod. cycle 3 = 0.300, Contrast = 0.664, Connect. = 0.767 for dens.mod. cycle 4 = 0.300, Contrast = 0.677, Connect. = 0.769 for dens.mod. cycle 5 = 0.300, Contrast = 0.681, Connect. = 0.772 for dens.mod. cycle 6 = 0.300, Contrast = 0.686, Connect. = 0.773 for dens.mod. cycle 7 = 0.300, Contrast = 0.687, Connect. = 0.774 for dens.mod. cycle 8 = 0.300, Contrast = 0.689, Connect. = 0.774 for dens.mod. cycle 9 = 0.300, Contrast = 0.689, Connect. = 0.775 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2787 peaks > 0.5 sigma used to seed fragment search Space for about 535 unique residues taking solvent into account 606 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 18 40.784 2.357 1.132 0.786 0.824 0.588 CA 1.858 B: 18 35.961 2.204 0.973 0.730 0.941 0.647 CA 1.732 19 residues pruned to eliminate duplicates C: 17 47.228 2.305 1.067 0.843 1.000 0.750 CA 1.845 17 residues pruned to eliminate duplicates D: 15 30.590 2.370 0.667 0.775 0.929 0.643 CB 1.748 E: 16 33.760 2.369 0.658 0.812 0.933 0.600 CA 1.813 15 residues pruned to eliminate duplicates F: 35 31.237 2.259 0.641 0.504 0.912 0.559 CB 1.578 G: 25 31.357 2.037 0.702 0.625 1.000 0.583 CB 1.641 H: 18 37.772 2.294 0.817 0.821 0.941 0.765 CB 1.767 18 residues pruned to eliminate duplicates I: 15 36.159 2.301 0.772 0.901 1.000 0.929 CB 1.691 J: 17 25.706 2.086 0.517 0.803 1.000 0.688 CA 1.558 K: 16 38.350 2.172 1.117 0.890 1.000 0.733 CB 1.549 15 residues pruned to eliminate duplicates L: 18 31.608 2.224 0.693 0.795 0.941 0.529 CB 1.671 18 residues pruned to eliminate duplicates M: 17 24.776 2.073 0.552 0.887 0.938 0.812 CB 1.480 17 residues pruned to eliminate duplicates N: 7 6.255 1.991 0.408 0.495 0.667 0.333 CB 1.372 O: 16 35.211 2.168 0.949 0.903 1.000 0.733 CB 1.533 17 residues pruned to eliminate duplicates P: 16 30.205 2.194 0.732 0.889 1.000 0.867 CB 1.478 16 residues pruned to eliminate duplicates Q: 88 55.723 2.224 0.760 0.564 0.920 0.609 CB 1.560 23 residues pruned to eliminate duplicates R: 16 50.488 2.403 1.180 0.847 1.000 0.733 CA 1.847 15 residues pruned to eliminate duplicates S: 81 65.128 2.270 0.944 0.542 0.938 0.688 CB 1.689 16 residues pruned to eliminate duplicates T: 36 32.842 2.168 0.723 0.553 0.943 0.600 CB 1.497 35 residues pruned to eliminate duplicates U: 16 47.631 2.420 1.086 0.842 1.000 0.667 CA 1.815 16 residues pruned to eliminate duplicates V: 15 32.018 2.215 0.748 0.877 1.000 0.786 CB 1.605 15 residues pruned to eliminate duplicates W: 16 29.775 2.179 0.695 0.906 1.000 0.800 CB 1.481 16 residues pruned to eliminate duplicates X: 46 53.596 2.286 0.928 0.612 0.933 0.711 CA 1.747 45 residues pruned to eliminate duplicates Y: 12 23.717 2.327 0.929 0.451 1.000 0.727 CB 1.676 13 residues pruned to eliminate duplicates Z: 16 31.445 2.251 0.646 0.853 1.000 0.600 CA 1.620 16 residues pruned to eliminate duplicates Z: 23 17.931 2.083 0.395 0.473 0.864 0.682 CB 1.565 23 residues pruned to eliminate duplicates Z: 16 23.501 2.175 0.454 0.842 0.933 0.867 CA 1.532 16 residues pruned to eliminate duplicates Z: 22 24.846 2.134 0.867 0.431 0.905 0.571 CB 1.615 12 residues pruned to eliminate duplicates Z: 16 34.356 2.263 0.688 0.858 1.000 0.600 CA 1.711 16 residues pruned to eliminate duplicates Z: 133 80.914 2.224 0.949 0.598 0.932 0.705 CB 1.587 96 residues pruned to eliminate duplicates Z: 18 42.217 2.299 1.022 0.795 1.000 0.588 CA 1.701 18 residues pruned to eliminate duplicates Z: 82 63.128 2.250 0.922 0.542 0.938 0.716 CB 1.658 82 residues pruned to eliminate duplicates Z: 84 52.499 2.207 0.772 0.539 0.916 0.614 CB 1.549 84 residues pruned to eliminate duplicates Z: 11 19.186 2.311 0.609 0.624 0.900 0.800 CB 1.612 11 residues pruned to eliminate duplicates Z: 33 35.327 2.142 0.667 0.520 1.000 0.594 CB 1.714 36 residues pruned to eliminate duplicates Z: 16 30.349 2.229 0.602 0.878 1.000 0.733 CA 1.592 16 residues pruned to eliminate duplicates Z: 17 40.106 2.319 0.853 0.831 1.000 0.625 CA 1.752 17 residues pruned to eliminate duplicates Z: 81 63.587 2.231 0.941 0.562 0.938 0.688 CB 1.648 81 residues pruned to eliminate duplicates Z: 46 51.706 2.263 0.818 0.660 0.978 0.733 CB 1.652 46 residues pruned to eliminate duplicates Z: 79 57.093 2.267 0.808 0.589 0.910 0.744 CB 1.591 82 residues pruned to eliminate duplicates Z: 33 37.807 2.178 1.076 0.479 0.938 0.656 CB 1.610 33 residues pruned to eliminate duplicates Z: 18 36.934 2.338 0.864 0.809 0.941 0.706 CA 1.668 18 residues pruned to eliminate duplicates Z: 41 25.224 1.975 0.586 0.553 0.925 0.550 CB 1.307 41 residues pruned to eliminate duplicates Z: 60 59.437 2.309 1.016 0.571 0.949 0.695 CB 1.635 53 residues pruned to eliminate duplicates Z: 18 34.591 2.296 0.841 0.842 0.882 0.824 CA 1.676 18 residues pruned to eliminate duplicates Z: 10 14.160 2.003 0.223 0.836 0.889 0.556 CA 1.623 10 residues pruned to eliminate duplicates Z: 16 30.122 2.156 0.719 0.879 1.000 0.933 CB 1.522 16 residues pruned to eliminate duplicates Z: 17 36.874 2.308 0.977 0.860 0.875 0.750 CB 1.698 17 residues pruned to eliminate duplicates Z: 34 29.984 2.215 0.595 0.514 0.970 0.636 CB 1.502 34 residues pruned to eliminate duplicates Z: 46 51.741 2.260 1.223 0.561 0.911 0.711 CB 1.589 46 residues pruned to eliminate duplicates Z: 19 14.192 1.938 0.588 0.490 0.722 0.611 CA 1.519 19 residues pruned to eliminate duplicates Z: 6 7.287 1.761 1.296 0.589 0.800 0.400 CA 0.925 6 residues pruned to eliminate duplicates Z: 8 6.026 1.767 0.274 0.649 0.714 0.571 CB 1.233 8 residues pruned to eliminate duplicates Z: 40 42.474 2.239 0.857 0.540 1.000 0.692 CB 1.573 40 residues pruned to eliminate duplicates Z: 9 15.005 2.085 0.684 0.677 0.750 0.625 CA 1.712 9 residues pruned to eliminate duplicates Z: 8 12.326 1.845 0.635 0.766 0.857 0.571 CA 1.423 8 residues pruned to eliminate duplicates Z: 18 34.683 2.314 0.724 0.839 0.882 0.882 CA 1.786 18 residues pruned to eliminate duplicates Z: 82 71.647 2.281 0.960 0.581 0.963 0.667 CB 1.712 101 residues pruned to eliminate duplicates Z: 42 38.984 2.140 0.904 0.514 0.927 0.610 CB 1.591 42 residues pruned to eliminate duplicates Z: 37 41.420 2.264 0.944 0.552 0.917 0.778 CB 1.626 37 residues pruned to eliminate duplicates Z: 16 29.098 2.205 0.500 0.838 1.000 0.667 CA 1.698 16 residues pruned to eliminate duplicates Z: 11 21.531 2.150 0.569 0.862 1.000 0.600 CA 1.481 11 residues pruned to eliminate duplicates Z: 16 28.473 2.323 0.433 0.816 0.933 0.733 CB 1.798 16 residues pruned to eliminate duplicates Z: 80 60.015 2.257 0.803 0.595 0.937 0.759 CB 1.617 80 residues pruned to eliminate duplicates Z: 13 14.691 1.970 0.502 0.559 0.917 0.583 CB 1.475 12 residues pruned to eliminate duplicates Z: 41 44.443 2.212 1.021 0.512 0.925 0.750 CB 1.678 41 residues pruned to eliminate duplicates Z: 83 58.931 2.232 0.835 0.574 0.963 0.634 CB 1.536 80 residues pruned to eliminate duplicates Z: 28 19.946 1.868 0.681 0.512 0.889 0.667 CB 1.358 28 residues pruned to eliminate duplicates Z: 10 18.846 2.240 0.479 0.838 0.889 0.556 CB 1.594 10 residues pruned to eliminate duplicates Z: 17 19.829 2.151 0.734 0.454 0.938 0.688 CB 1.487 17 residues pruned to eliminate duplicates Z: 36 23.641 1.974 0.520 0.500 0.971 0.600 CB 1.371 Z: 81 67.924 2.270 1.027 0.585 0.925 0.725 CB 1.645 81 residues pruned to eliminate duplicates Z: 17 31.636 2.332 0.619 0.819 0.938 0.750 CA 1.695 17 residues pruned to eliminate duplicates Z: 24 22.580 1.911 0.737 0.589 0.913 0.696 CB 1.426 Z: 18 30.442 2.180 0.711 0.787 0.941 0.706 CB 1.634 18 residues pruned to eliminate duplicates Z: 17 43.871 2.319 1.066 0.842 1.000 0.625 CA 1.706 17 residues pruned to eliminate duplicates Z: 17 24.481 2.230 0.787 0.510 0.938 0.625 CB 1.621 17 residues pruned to eliminate duplicates Z: 19 29.813 2.086 0.763 0.776 0.944 0.667 CA 1.585 19 residues pruned to eliminate duplicates Z: 45 57.575 2.355 1.080 0.645 0.909 0.659 CB 1.702 46 residues pruned to eliminate duplicates Z: 38 39.723 2.206 0.895 0.517 0.919 0.703 CB 1.671 38 residues pruned to eliminate duplicates Z: 23 26.066 2.165 0.448 0.589 0.955 0.591 CB 1.706 23 residues pruned to eliminate duplicates Z: 13 14.848 1.801 0.520 0.743 0.917 0.583 CA 1.373 13 residues pruned to eliminate duplicates Z: 15 34.766 2.276 0.740 0.874 1.000 0.786 CB 1.708 15 residues pruned to eliminate duplicates Z: 132 72.787 2.192 0.813 0.588 0.931 0.618 CB 1.579 132 residues pruned to eliminate duplicates Z: 82 58.264 2.190 0.942 0.593 0.914 0.691 CB 1.524 82 residues pruned to eliminate duplicates Z: 17 30.121 2.269 0.552 0.787 0.938 0.625 CB 1.772 17 residues pruned to eliminate duplicates Z: 12 15.840 1.909 0.591 0.879 0.909 0.727 CB 1.254 12 residues pruned to eliminate duplicates Z: 17 24.196 2.036 0.645 0.901 0.938 0.688 CB 1.375 17 residues pruned to eliminate duplicates Z: 11 17.203 2.092 0.380 0.890 1.000 0.800 CA 1.356 11 residues pruned to eliminate duplicates Z: 82 66.229 2.252 0.879 0.583 0.951 0.728 CB 1.689 82 residues pruned to eliminate duplicates Z: 10 19.893 2.099 0.500 0.891 1.000 1.000 CB 1.514 10 residues pruned to eliminate duplicates Z: 11 15.525 2.098 0.588 0.868 0.900 0.700 CB 1.197 11 residues pruned to eliminate duplicates Z: 15 26.523 2.176 1.163 0.497 0.929 0.643 CB 1.626 15 residues pruned to eliminate duplicates Z: 17 27.892 2.148 0.589 0.834 0.938 0.688 CA 1.634 17 residues pruned to eliminate duplicates Z: 34 20.938 2.045 0.431 0.506 0.970 0.485 CB 1.278 34 residues pruned to eliminate duplicates Z: 15 39.785 2.315 0.973 0.895 0.929 0.714 CA 1.797 15 residues pruned to eliminate duplicates Z: 81 62.619 2.254 0.804 0.616 0.950 0.675 CB 1.623 81 residues pruned to eliminate duplicates Z: 14 19.694 2.198 0.992 0.409 0.846 0.615 CB 1.621 10 residues pruned to eliminate duplicates Z: 80 71.191 2.281 1.006 0.600 0.937 0.709 CB 1.699 80 residues pruned to eliminate duplicates Z: 129 88.787 2.291 0.943 0.628 0.938 0.695 CB 1.668 130 residues pruned to eliminate duplicates Z: 82 61.846 2.252 0.826 0.590 0.963 0.630 CB 1.592 82 residues pruned to eliminate duplicates Z: 14 13.949 1.792 0.411 0.829 0.846 0.615 CB 1.360 14 residues pruned to eliminate duplicates Z: 131 81.656 2.258 0.885 0.595 0.931 0.723 CB 1.651 131 residues pruned to eliminate duplicates Z: 24 23.035 1.928 0.856 0.573 0.870 0.652 CB 1.439 24 residues pruned to eliminate duplicates Z: 9 11.800 2.101 0.419 0.848 0.750 0.500 CB 1.384 9 residues pruned to eliminate duplicates Z: 11 12.658 1.917 0.179 0.803 1.000 0.900 CB 1.360 11 residues pruned to eliminate duplicates Z: 23 23.603 1.954 0.888 0.572 0.909 0.682 CA 1.400 24 residues pruned to eliminate duplicates Z: 127 85.323 2.292 0.964 0.592 0.944 0.595 CB 1.637 127 residues pruned to eliminate duplicates Z: 131 82.903 2.275 0.920 0.596 0.946 0.685 CB 1.605 131 residues pruned to eliminate duplicates Z: 11 13.516 2.072 0.627 0.856 0.800 0.700 CB 1.168 11 residues pruned to eliminate duplicates Z: 14 23.305 2.132 0.965 0.488 0.923 0.769 CA 1.692 13 residues pruned to eliminate duplicates Z: 43 45.104 2.228 1.007 0.493 0.952 0.714 CB 1.646 43 residues pruned to eliminate duplicates Z: 13 18.647 2.206 0.703 0.620 0.833 0.667 CB 1.535 13 residues pruned to eliminate duplicates Z: 10 13.893 2.230 0.276 0.779 0.778 0.667 CA 1.635 10 residues pruned to eliminate duplicates Z: 34 38.525 2.285 0.832 0.536 0.970 0.636 CB 1.595 34 residues pruned to eliminate duplicates Z: 28 22.683 2.142 0.499 0.552 0.889 0.519 CB 1.454 28 residues pruned to eliminate duplicates Z: 17 24.973 1.922 0.966 0.648 1.000 0.688 CB 1.439 17 residues pruned to eliminate duplicates Z: 132 84.631 2.241 0.976 0.598 0.939 0.679 CB 1.619 134 residues pruned to eliminate duplicates Z: 16 29.639 2.148 0.588 0.888 1.000 0.800 CB 1.617 16 residues pruned to eliminate duplicates Z: 16 32.710 2.302 0.819 0.802 0.933 0.733 CA 1.660 16 residues pruned to eliminate duplicates Z: 6 4.118 1.825 -0.020 0.617 0.800 0.600 CA 1.153 6 residues pruned to eliminate duplicates Z: 15 14.820 2.055 0.774 0.394 0.857 0.571 CB 1.418 15 residues pruned to eliminate duplicates Z: 41 35.283 2.153 0.713 0.612 0.900 0.625 CB 1.513 41 residues pruned to eliminate duplicates Z: 26 22.930 2.047 0.419 0.556 0.960 0.640 CB 1.557 26 residues pruned to eliminate duplicates Z: 41 29.203 2.065 0.683 0.559 0.975 0.675 CB 1.287 41 residues pruned to eliminate duplicates Z: 15 32.681 2.210 1.052 0.868 1.000 0.571 CB 1.408 15 residues pruned to eliminate duplicates Z: 58 40.073 2.162 0.722 0.559 0.895 0.702 CB 1.505 58 residues pruned to eliminate duplicates Z: 82 71.180 2.263 1.011 0.576 0.963 0.679 CB 1.678 82 residues pruned to eliminate duplicates Z: 12 20.088 2.093 1.018 0.442 1.000 0.545 CB 1.521 12 residues pruned to eliminate duplicates Z: 135 81.746 2.264 0.929 0.591 0.925 0.672 CB 1.602 135 residues pruned to eliminate duplicates Z: 31 30.769 2.119 0.666 0.510 1.000 0.633 CB 1.576 31 residues pruned to eliminate duplicates Z: 16 30.321 2.227 0.751 0.849 0.933 0.600 CA 1.594 16 residues pruned to eliminate duplicates Z: 6 5.203 1.895 -0.018 0.636 0.800 0.600 CB 1.376 6 residues pruned to eliminate duplicates Z: 82 58.270 2.244 0.752 0.598 0.926 0.679 CB 1.620 82 residues pruned to eliminate duplicates Z: 9 16.754 2.088 0.383 0.895 1.000 1.000 CB 1.470 9 residues pruned to eliminate duplicates Z: 58 55.769 2.289 0.945 0.546 0.930 0.737 CB 1.705 58 residues pruned to eliminate duplicates Z: 6 3.485 1.658 0.507 0.466 0.600 0.600 CA 1.075 6 residues pruned to eliminate duplicates Z: 129 77.069 2.295 0.908 0.581 0.891 0.641 CB 1.616 129 residues pruned to eliminate duplicates Z: 87 54.433 2.217 0.748 0.584 0.907 0.605 CB 1.540 87 residues pruned to eliminate duplicates Z: 17 31.154 2.283 0.496 0.789 1.000 0.750 CA 1.768 17 residues pruned to eliminate duplicates Z: 131 86.226 2.291 0.933 0.617 0.946 0.715 CB 1.615 131 residues pruned to eliminate duplicates Z: 88 58.115 2.215 0.856 0.567 0.920 0.724 CB 1.545 88 residues pruned to eliminate duplicates Z: 10 19.198 2.123 0.436 0.908 1.000 1.000 CB 1.490 10 residues pruned to eliminate duplicates Z: 32 48.304 2.261 1.225 0.590 0.935 0.742 CB 1.691 32 residues pruned to eliminate duplicates Z: 23 26.513 1.972 0.961 0.658 0.864 0.773 CA 1.462 23 residues pruned to eliminate duplicates Z: 15 17.514 2.217 0.684 0.470 0.929 0.643 CB 1.392 15 residues pruned to eliminate duplicates Z: 49 47.310 2.248 0.975 0.524 0.896 0.750 CB 1.677 49 residues pruned to eliminate duplicates Z: 45 59.328 2.373 1.057 0.621 0.932 0.682 CB 1.755 45 residues pruned to eliminate duplicates Z: 23 25.496 1.972 0.783 0.648 0.909 0.727 CA 1.481 23 residues pruned to eliminate duplicates Z: 23 27.505 1.945 0.986 0.612 0.955 0.727 CB 1.431 23 residues pruned to eliminate duplicates Z: 46 56.997 2.333 1.016 0.602 0.933 0.644 CB 1.757 46 residues pruned to eliminate duplicates Z: 12 23.215 2.058 0.932 0.707 0.909 0.818 CA 1.605 12 residues pruned to eliminate duplicates Z: 58 44.422 2.248 0.868 0.528 0.947 0.737 CB 1.439 58 residues pruned to eliminate duplicates Z: 16 30.990 2.202 1.001 0.540 1.000 0.600 CB 1.746 16 residues pruned to eliminate duplicates Z: 82 60.631 2.253 0.761 0.612 0.951 0.728 CB 1.606 83 residues pruned to eliminate duplicates Z: 21 18.860 2.048 0.729 0.473 0.850 0.650 CB 1.440 21 residues pruned to eliminate duplicates Z: 12 15.641 1.815 0.557 0.799 0.909 0.727 CA 1.413 12 residues pruned to eliminate duplicates Z: 22 27.873 1.985 0.862 0.654 0.952 0.667 CB 1.498 23 residues pruned to eliminate duplicates Z: 12 19.238 1.927 0.660 0.904 1.000 0.727 CB 1.291 12 residues pruned to eliminate duplicates Z: 60 58.665 2.305 1.027 0.575 0.932 0.644 CB 1.631 60 residues pruned to eliminate duplicates Z: 33 32.984 2.129 0.731 0.510 0.969 0.594 CB 1.616 34 residues pruned to eliminate duplicates Z: 87 53.738 2.244 0.774 0.525 0.907 0.651 CB 1.566 87 residues pruned to eliminate duplicates Z: 16 10.360 2.027 0.284 0.538 0.800 0.267 CB 1.238 16 residues pruned to eliminate duplicates Z: 13 11.099 1.867 0.355 0.661 0.917 0.417 CB 1.190 13 residues pruned to eliminate duplicates Z: 12 21.311 2.213 0.691 0.653 0.909 0.818 CA 1.638 12 residues pruned to eliminate duplicates Z: 6 15.041 1.770 0.882 0.860 1.000 1.000 CB 1.484 6 residues pruned to eliminate duplicates Z: 28 25.038 2.149 0.674 0.496 0.889 0.741 CB 1.514 28 residues pruned to eliminate duplicates Z: 12 17.258 1.915 0.528 0.851 1.000 0.818 CB 1.316 12 residues pruned to eliminate duplicates Z: 15 35.309 2.198 0.956 0.889 1.000 0.786 CB 1.581 15 residues pruned to eliminate duplicates Z: 6 10.194 1.945 0.179 0.833 1.000 0.600 C 1.491 6 residues pruned to eliminate duplicates Z: 16 30.037 2.217 0.821 0.754 0.867 0.667 CA 1.768 16 residues pruned to eliminate duplicates Z: 23 26.571 1.963 0.905 0.606 0.955 0.727 CA 1.435 23 residues pruned to eliminate duplicates Z: 10 6.956 1.820 0.384 0.681 0.667 0.556 CA 1.169 10 residues pruned to eliminate duplicates Z: 7 10.090 1.818 0.340 0.821 0.833 0.667 CB 1.536 7 residues pruned to eliminate duplicates Z: 11 16.043 2.143 0.609 0.843 0.800 0.700 CA 1.370 11 residues pruned to eliminate duplicates Z: 83 59.384 2.139 0.980 0.588 0.927 0.646 CB 1.535 83 residues pruned to eliminate duplicates Z: 30 33.590 2.137 0.694 0.531 1.000 0.586 CB 1.672 30 residues pruned to eliminate duplicates Z: 6 4.405 1.603 0.062 0.799 0.800 0.800 CA 1.114 6 residues pruned to eliminate duplicates Z: 46 50.995 2.286 0.861 0.634 0.933 0.711 CB 1.687 46 residues pruned to eliminate duplicates Z: 28 26.360 2.116 0.674 0.575 0.926 0.593 CB 1.439 28 residues pruned to eliminate duplicates Z: 127 86.180 2.288 0.989 0.607 0.921 0.683 CB 1.656 127 residues pruned to eliminate duplicates Z: 24 20.460 1.908 0.787 0.576 0.913 0.739 CB 1.274 Z: 24 26.445 1.916 0.885 0.599 0.957 0.739 CA 1.452 24 residues pruned to eliminate duplicates Z: 15 21.250 2.308 1.181 0.464 0.714 0.643 CA 1.638 15 residues pruned to eliminate duplicates Z: 130 76.651 2.246 0.877 0.595 0.915 0.705 CB 1.598 130 residues pruned to eliminate duplicates Z: 10 19.218 2.135 0.400 0.882 1.000 0.667 CA 1.550 10 residues pruned to eliminate duplicates Z: 8 13.275 1.760 0.656 0.723 1.000 0.571 C 1.408 8 residues pruned to eliminate duplicates Z: 80 65.374 2.263 0.975 0.586 0.924 0.747 CB 1.640 80 residues pruned to eliminate duplicates Z: 7 11.561 1.818 0.409 0.815 1.000 0.500 CB 1.401 7 residues pruned to eliminate duplicates Z: 6 6.756 1.756 -0.058 0.773 1.000 0.800 CA 1.434 6 residues pruned to eliminate duplicates Z: 83 63.181 2.210 0.965 0.602 0.927 0.671 CB 1.572 84 residues pruned to eliminate duplicates Z: 129 77.257 2.275 0.828 0.605 0.922 0.695 CB 1.612 128 residues pruned to eliminate duplicates Z: 45 54.674 2.307 0.953 0.622 0.932 0.500 CB 1.750 45 residues pruned to eliminate duplicates Z: 10 15.269 2.025 0.275 0.896 1.000 1.000 CB 1.411 10 residues pruned to eliminate duplicates Z: 16 27.032 2.205 0.621 0.846 0.933 0.533 CA 1.554 16 residues pruned to eliminate duplicates Z: 82 64.514 2.225 1.071 0.600 0.926 0.704 CB 1.526 82 residues pruned to eliminate duplicates Z: 17 30.883 2.193 0.831 0.778 0.938 0.688 CA 1.605 17 residues pruned to eliminate duplicates Z: 53 45.956 2.220 0.867 0.524 0.942 0.654 CB 1.594 53 residues pruned to eliminate duplicates Z: 17 26.610 2.144 0.796 0.783 0.875 0.750 CA 1.538 17 residues pruned to eliminate duplicates Z: 16 31.683 2.256 0.532 0.873 1.000 0.800 CA 1.724 16 residues pruned to eliminate duplicates Z: 46 51.755 2.283 0.835 0.621 0.956 0.689 CB 1.719 46 residues pruned to eliminate duplicates Z: 6 7.012 1.510 0.457 0.775 1.000 0.800 CA 1.117 6 residues pruned to eliminate duplicates Z: 11 14.132 1.940 0.345 0.791 0.900 0.800 CB 1.475 11 residues pruned to eliminate duplicates Z: 11 9.665 1.980 0.477 0.499 0.800 0.600 CB 1.308 11 residues pruned to eliminate duplicates Z: 17 36.817 2.206 0.808 0.894 1.000 0.938 CA 1.656 17 residues pruned to eliminate duplicates Z: 17 52.344 2.398 1.114 0.837 1.000 0.750 CA 1.931 17 residues pruned to eliminate duplicates Z: 15 32.963 2.311 0.917 0.823 0.929 0.500 CB 1.619 15 residues pruned to eliminate duplicates Z: 8 6.315 1.852 0.510 0.339 0.714 0.429 CB 1.425 8 residues pruned to eliminate duplicates Z: 44 68.345 2.374 1.182 0.666 0.953 0.628 CB 1.810 44 residues pruned to eliminate duplicates Z: 13 24.791 2.013 1.158 0.720 0.833 0.833 CA 1.620 13 residues pruned to eliminate duplicates Z: 24 19.574 1.880 0.680 0.607 0.913 0.609 CB 1.279 24 residues pruned to eliminate duplicates Z: 15 29.818 2.319 0.596 0.805 0.929 0.714 CA 1.776 15 residues pruned to eliminate duplicates Z: 25 21.925 1.988 0.532 0.534 0.958 0.500 CB 1.483 25 residues pruned to eliminate duplicates Z: 23 24.090 1.962 0.806 0.609 0.955 0.727 CA 1.369 24 residues pruned to eliminate duplicates Z: 24 23.114 1.915 0.830 0.593 0.957 0.739 CB 1.316 24 residues pruned to eliminate duplicates Z: 8 7.040 1.818 0.481 0.657 0.714 0.571 CB 1.196 8 residues pruned to eliminate duplicates Z: 113 74.064 2.225 0.926 0.556 0.946 0.723 CB 1.634 112 residues pruned to eliminate duplicates Z: 18 10.578 1.790 0.499 0.464 0.824 0.353 CB 1.205 18 residues pruned to eliminate duplicates Z: 11 17.264 2.041 0.666 0.832 1.000 0.600 CB 1.205 11 residues pruned to eliminate duplicates Z: 28 21.329 2.130 0.517 0.518 0.889 0.519 CB 1.404 28 residues pruned to eliminate duplicates Z: 12 10.991 2.054 0.270 0.495 0.909 0.636 CB 1.404 12 residues pruned to eliminate duplicates Z: 12 21.602 1.945 1.160 0.699 0.909 0.727 CA 1.423 12 residues pruned to eliminate duplicates Z: 14 15.784 1.744 0.787 0.763 0.923 0.462 CB 1.205 14 residues pruned to eliminate duplicates Z: 10 22.686 2.043 0.666 0.863 1.000 0.778 CA 1.630 10 residues pruned to eliminate duplicates Z: 33 30.902 2.138 0.736 0.511 0.875 0.656 CB 1.664 33 residues pruned to eliminate duplicates Z: 17 14.639 1.967 0.690 0.658 0.750 0.438 CB 1.268 17 residues pruned to eliminate duplicates Z: 14 14.300 1.981 0.739 0.329 0.923 0.462 CB 1.504 14 residues pruned to eliminate duplicates Z: 12 10.117 2.190 0.486 0.483 0.909 0.545 CB 1.049 12 residues pruned to eliminate duplicates Z: 132 75.015 2.223 0.844 0.598 0.916 0.679 CB 1.589 132 residues pruned to eliminate duplicates Z: 6 6.517 1.646 0.190 0.814 1.000 0.800 CA 1.133 6 residues pruned to eliminate duplicates Z: 78 54.477 2.183 0.901 0.592 0.896 0.714 CB 1.529 78 residues pruned to eliminate duplicates Z: 36 36.388 2.130 0.979 0.526 0.943 0.743 CB 1.509 36 residues pruned to eliminate duplicates Z: 132 72.657 2.242 0.773 0.571 0.924 0.656 CB 1.615 132 residues pruned to eliminate duplicates Z: 7 5.226 1.992 0.585 0.706 0.667 0.500 CB 0.840 7 residues pruned to eliminate duplicates Z: 11 13.575 1.900 0.356 0.862 1.000 0.800 CB 1.224 11 residues pruned to eliminate duplicates Z: 18 26.994 2.215 0.707 0.769 0.824 0.412 CA 1.656 18 residues pruned to eliminate duplicates Z: 12 21.049 2.110 0.811 0.639 0.909 0.727 CB 1.605 12 residues pruned to eliminate duplicates Z: 45 54.133 2.336 0.957 0.595 0.955 0.568 CB 1.708 45 residues pruned to eliminate duplicates Z: 34 29.165 2.120 0.629 0.486 0.909 0.576 CB 1.640 34 residues pruned to eliminate duplicates Z: 6 10.802 2.053 0.151 0.865 1.000 0.800 CA 1.497 6 residues pruned to eliminate duplicates Z: 12 16.507 1.982 0.450 0.854 0.909 0.818 CB 1.407 12 residues pruned to eliminate duplicates Z: 118 75.450 2.215 0.903 0.609 0.940 0.735 CB 1.586 118 residues pruned to eliminate duplicates Z: 33 43.115 2.183 1.153 0.553 1.000 0.875 CB 1.540 33 residues pruned to eliminate duplicates Z: 16 28.705 2.132 1.074 0.570 1.000 0.733 CB 1.566 16 residues pruned to eliminate duplicates Z: 63 32.678 2.075 0.736 0.514 0.839 0.532 CB 1.354 63 residues pruned to eliminate duplicates Z: 19 26.532 2.138 0.671 0.787 0.833 0.556 CA 1.632 19 residues pruned to eliminate duplicates Z: 11 19.352 1.967 0.695 0.878 1.000 0.800 CA 1.331 11 residues pruned to eliminate duplicates Z: 11 12.612 2.046 0.191 0.895 1.000 0.700 CA 1.173 11 residues pruned to eliminate duplicates Z: 47 53.160 2.338 0.858 0.601 0.935 0.652 CB 1.753 47 residues pruned to eliminate duplicates Z: 130 78.538 2.227 0.942 0.595 0.930 0.682 CB 1.569 130 residues pruned to eliminate duplicates Z: 128 85.549 2.307 0.869 0.619 0.929 0.693 CB 1.694 128 residues pruned to eliminate duplicates Z: 57 46.698 2.260 0.632 0.632 0.946 0.607 CB 1.580 57 residues pruned to eliminate duplicates Z: 81 72.597 2.266 1.050 0.616 0.950 0.762 CB 1.647 81 residues pruned to eliminate duplicates Z: 32 17.450 1.782 0.730 0.505 0.871 0.613 CB 1.162 32 residues pruned to eliminate duplicates Z: 13 9.011 1.675 0.533 0.550 0.917 0.500 CB 1.053 13 residues pruned to eliminate duplicates Z: 10 16.480 2.100 0.408 0.878 1.000 0.778 CB 1.348 10 residues pruned to eliminate duplicates Z: 6 3.817 1.523 -0.056 0.757 1.000 0.600 CB 0.945 6 residues pruned to eliminate duplicates Z: 18 37.469 2.270 0.760 0.817 1.000 0.706 CA 1.728 18 residues pruned to eliminate duplicates Z: 91 73.413 2.319 0.986 0.557 0.956 0.767 CB 1.663 91 residues pruned to eliminate duplicates Z: 49 42.226 2.225 0.820 0.528 0.896 0.708 CB 1.635 49 residues pruned to eliminate duplicates Z: 6 13.207 1.929 0.452 0.878 1.000 0.800 CA 1.530 6 residues pruned to eliminate duplicates Z: 20 35.910 2.254 0.756 0.739 1.000 0.737 CB 1.679 20 residues pruned to eliminate duplicates Z: 64 65.353 2.320 1.039 0.576 0.952 0.635 CB 1.699 64 residues pruned to eliminate duplicates Z: 25 20.230 1.857 0.711 0.567 0.958 0.667 CB 1.271 25 residues pruned to eliminate duplicates Z: 88 60.175 2.197 0.952 0.570 0.931 0.678 CB 1.510 88 residues pruned to eliminate duplicates Z: 94 61.262 2.265 0.793 0.566 0.925 0.699 CB 1.586 94 residues pruned to eliminate duplicates Z: 12 15.856 1.877 0.587 0.828 0.909 0.545 CB 1.330 12 residues pruned to eliminate duplicates Z: 88 57.777 2.182 0.838 0.560 0.943 0.678 CB 1.546 87 residues pruned to eliminate duplicates Z: 92 64.967 2.206 0.891 0.580 0.945 0.670 CB 1.599 92 residues pruned to eliminate duplicates Z: 17 37.320 2.329 0.832 0.817 0.938 0.625 CA 1.772 17 residues pruned to eliminate duplicates Z: 26 12.609 1.607 0.522 0.416 0.880 0.360 CB 1.279 26 residues pruned to eliminate duplicates Z: 53 47.483 2.242 0.938 0.529 0.923 0.692 CB 1.596 53 residues pruned to eliminate duplicates Z: 128 86.554 2.259 1.023 0.608 0.945 0.748 CB 1.606 131 residues pruned to eliminate duplicates Z: 20 35.205 2.180 0.939 0.798 0.947 0.737 CA 1.554 20 residues pruned to eliminate duplicates Z: 14 26.546 2.292 0.524 0.918 0.923 0.846 CB 1.610 14 residues pruned to eliminate duplicates Z: 45 55.327 2.329 0.994 0.626 0.909 0.727 CB 1.754 45 residues pruned to eliminate duplicates Z: 16 11.019 1.769 0.465 0.464 0.867 0.267 CB 1.314 16 residues pruned to eliminate duplicates Z: 34 31.669 2.132 0.654 0.514 0.939 0.515 CB 1.640 33 residues pruned to eliminate duplicates Z: 23 19.573 2.252 0.450 0.540 0.864 0.636 CB 1.422 23 residues pruned to eliminate duplicates Z: 6 7.498 1.531 1.020 0.735 1.000 0.400 N 0.878 6 residues pruned to eliminate duplicates Z: 7 14.983 1.917 0.668 0.692 1.000 0.667 O 1.605 7 residues pruned to eliminate duplicates Z: 30 19.004 1.836 0.783 0.541 0.862 0.655 CB 1.201 30 residues pruned to eliminate duplicates Z: 100 64.033 2.272 0.853 0.532 0.899 0.636 CB 1.648 100 residues pruned to eliminate duplicates Z: 11 11.660 1.727 0.810 0.521 1.000 0.800 CB 1.155 11 residues pruned to eliminate duplicates Z: 76 55.005 2.210 0.790 0.598 0.920 0.653 CB 1.590 76 residues pruned to eliminate duplicates Z: 44 29.976 2.128 0.551 0.607 0.884 0.581 CB 1.416 44 residues pruned to eliminate duplicates Z: 48 35.837 2.084 0.758 0.577 0.894 0.574 CB 1.483 48 residues pruned to eliminate duplicates Z: 18 32.022 2.230 0.752 0.812 0.882 0.765 CB 1.717 18 residues pruned to eliminate duplicates Z: 41 54.462 2.258 1.021 0.667 0.950 0.725 CB 1.702 41 residues pruned to eliminate duplicates Z: 6 4.361 1.448 0.570 0.513 0.800 0.400 C 1.058 Z: 44 65.089 2.353 1.136 0.657 0.977 0.698 CB 1.747 44 residues pruned to eliminate duplicates Z: 13 20.092 2.170 0.984 0.535 0.917 0.750 CB 1.420 13 residues pruned to eliminate duplicates Z: 20 40.102 2.306 0.915 0.690 1.000 0.737 CA 1.752 20 residues pruned to eliminate duplicates Z: 37 45.347 2.180 1.173 0.540 0.944 0.639 CB 1.624 37 residues pruned to eliminate duplicates Z: 11 14.803 1.960 0.421 0.846 0.900 0.800 CB 1.387 11 residues pruned to eliminate duplicates Z: 6 2.504 1.681 0.332 0.287 0.800 0.800 CB 0.794 Z: 7 8.295 1.999 0.554 0.701 0.667 0.667 CA 1.362 7 residues pruned to eliminate duplicates Z: 11 18.386 2.088 0.744 0.808 0.900 0.600 CA 1.356 11 residues pruned to eliminate duplicates Z: 23 16.975 2.020 0.385 0.472 0.955 0.682 CB 1.394 23 residues pruned to eliminate duplicates Z: 24 23.488 1.861 0.983 0.577 0.913 0.652 CB 1.350 24 residues pruned to eliminate duplicates Z: 9 3.964 1.607 0.591 0.249 0.750 0.000 CB 0.976 Z: 22 18.234 2.160 0.785 0.411 0.762 0.571 CA 1.486 22 residues pruned to eliminate duplicates Z: 12 27.959 1.983 1.338 0.714 1.000 0.909 CB 1.497 12 residues pruned to eliminate duplicates Z: 22 29.568 1.954 1.052 0.630 1.000 0.714 CA 1.424 22 residues pruned to eliminate duplicates Z: 45 64.579 2.321 1.106 0.675 0.977 0.750 CB 1.735 45 residues pruned to eliminate duplicates Z: 10 23.515 2.189 1.183 0.516 1.000 0.889 CB 1.615 10 residues pruned to eliminate duplicates Z: 33 53.344 2.314 1.057 0.680 0.969 0.812 CB 1.733 33 residues pruned to eliminate duplicates Z: 45 57.891 2.266 0.982 0.683 0.977 0.750 CB 1.681 45 residues pruned to eliminate duplicates Z: 81 55.346 2.237 0.764 0.592 0.925 0.738 CB 1.553 81 residues pruned to eliminate duplicates Z: 85 63.912 2.246 0.829 0.593 0.952 0.655 CB 1.630 85 residues pruned to eliminate duplicates Z: 52 37.911 2.147 0.771 0.635 0.863 0.569 CB 1.426 52 residues pruned to eliminate duplicates 6 1.998 1.298 0.648 0.379 0.800 0.600 CB 0.594 ? Z: 34 34.598 2.239 0.758 0.535 0.939 0.576 CB 1.575 34 residues pruned to eliminate duplicates Z: 22 47.967 2.386 1.174 0.672 0.952 0.571 CB 1.808 22 residues pruned to eliminate duplicates Z: 19 13.132 2.189 0.470 0.403 0.667 0.500 CB 1.598 19 residues pruned to eliminate duplicates Z: 114 73.717 2.203 0.955 0.588 0.938 0.708 CB 1.577 114 residues pruned to eliminate duplicates Z: 40 38.785 2.166 0.829 0.623 0.897 0.590 CB 1.556 40 residues pruned to eliminate duplicates Z: 83 50.621 2.202 0.718 0.531 0.927 0.646 CB 1.547 83 residues pruned to eliminate duplicates Z: 67 38.636 2.090 0.694 0.593 0.909 0.576 CB 1.352 67 residues pruned to eliminate duplicates Z: 19 23.967 2.256 0.957 0.473 0.833 0.611 CB 1.577 19 residues pruned to eliminate duplicates Z: 74 52.852 2.229 0.757 0.595 0.904 0.603 CB 1.596 74 residues pruned to eliminate duplicates Z: 11 13.254 1.888 0.326 0.833 1.000 0.800 CB 1.256 11 residues pruned to eliminate duplicates Z: 19 20.177 1.967 0.765 0.542 0.833 0.667 CB 1.578 19 residues pruned to eliminate duplicates Z: 45 48.533 2.270 0.958 0.603 0.909 0.659 CB 1.641 45 residues pruned to eliminate duplicates Z: 12 15.409 1.893 0.430 0.783 1.000 0.545 CB 1.338 12 residues pruned to eliminate duplicates Z: 27 19.169 2.121 0.366 0.485 0.885 0.538 CB 1.490 27 residues pruned to eliminate duplicates Z: 26 16.516 1.953 0.791 0.410 0.840 0.600 CB 1.235 26 residues pruned to eliminate duplicates Z: 11 13.335 1.966 0.741 0.577 0.800 0.600 CA 1.430 11 residues pruned to eliminate duplicates Z: 101 64.385 2.185 0.986 0.565 0.920 0.730 CB 1.515 101 residues pruned to eliminate duplicates Z: 7 9.809 2.027 0.233 0.808 0.833 0.500 CA 1.471 7 residues pruned to eliminate duplicates Z: 46 41.679 2.203 0.606 0.655 0.978 0.644 CB 1.554 46 residues pruned to eliminate duplicates Z: 11 6.383 1.593 0.605 0.410 0.800 0.400 CA 1.084 11 residues pruned to eliminate duplicates Z: 33 23.157 2.073 0.451 0.482 0.906 0.531 CB 1.530 33 residues pruned to eliminate duplicates Z: 59 60.666 2.341 1.033 0.570 0.914 0.569 CB 1.712 59 residues pruned to eliminate duplicates Z: 24 22.722 1.909 0.782 0.631 0.957 0.826 CB 1.287 24 residues pruned to eliminate duplicates Z: 18 27.444 2.160 0.806 0.776 0.824 0.647 CA 1.623 18 residues pruned to eliminate duplicates Z: 79 64.555 2.286 0.970 0.559 0.910 0.731 CB 1.684 79 residues pruned to eliminate duplicates Z: 47 51.352 2.206 0.908 0.618 0.957 0.630 CB 1.682 47 residues pruned to eliminate duplicates Z: 17 31.645 2.077 0.771 0.844 1.000 0.562 CB 1.600 17 residues pruned to eliminate duplicates Z: 28 17.532 2.050 0.516 0.467 0.926 0.593 CB 1.213 28 residues pruned to eliminate duplicates Z: 14 13.021 1.960 0.740 0.362 0.923 0.538 CB 1.331 14 residues pruned to eliminate duplicates Z: 24 22.078 1.891 0.811 0.597 0.957 0.739 CB 1.282 23 residues pruned to eliminate duplicates Z: 83 61.258 2.222 0.870 0.603 0.939 0.659 CB 1.572 83 residues pruned to eliminate duplicates Z: 27 19.088 2.097 0.411 0.472 0.923 0.500 CB 1.410 27 residues pruned to eliminate duplicates Z: 21 29.162 2.192 0.830 0.477 1.000 0.700 CB 1.664 21 residues pruned to eliminate duplicates Z: 11 17.870 1.895 0.951 0.546 1.000 0.700 CA 1.461 11 residues pruned to eliminate duplicates Z: 33 23.831 2.064 0.834 0.432 0.938 0.625 CB 1.273 33 residues pruned to eliminate duplicates Z: 47 37.233 2.134 0.779 0.648 0.913 0.717 CB 1.380 47 residues pruned to eliminate duplicates Z: 21 28.986 2.001 1.090 0.656 0.950 0.700 CB 1.411 21 residues pruned to eliminate duplicates Z: 36 39.623 2.223 0.802 0.653 0.943 0.686 CB 1.538 36 residues pruned to eliminate duplicates Z: 9 15.607 2.010 0.738 0.707 0.875 0.875 CB 1.497 9 residues pruned to eliminate duplicates Z: 40 39.084 2.204 0.703 0.643 0.949 0.718 CB 1.537 40 residues pruned to eliminate duplicates Z: 10 17.162 2.062 0.409 0.890 1.000 0.778 CB 1.416 10 residues pruned to eliminate duplicates Z: 8 21.229 2.001 1.079 0.875 1.000 1.000 CB 1.402 8 residues pruned to eliminate duplicates Z: 7 7.785 2.187 0.537 0.790 0.500 0.500 CB 1.466 7 residues pruned to eliminate duplicates Z: 16 26.970 2.210 0.459 0.893 1.000 0.933 CA 1.550 16 residues pruned to eliminate duplicates Z: 55 43.772 2.212 0.755 0.603 0.889 0.648 CB 1.565 55 residues pruned to eliminate duplicates Z: 19 10.761 1.799 0.464 0.451 0.833 0.556 CB 1.214 19 residues pruned to eliminate duplicates Z: 84 59.258 2.247 0.808 0.606 0.916 0.687 CB 1.581 84 residues pruned to eliminate duplicates Z: 18 23.619 2.006 0.635 0.642 0.941 0.706 CB 1.625 18 residues pruned to eliminate duplicates Z: 22 25.980 1.931 0.917 0.639 0.952 0.667 CB 1.412 22 residues pruned to eliminate duplicates Z: 33 35.833 2.260 0.652 0.578 1.000 0.656 CB 1.573 33 residues pruned to eliminate duplicates Z: 95 59.446 2.247 0.890 0.557 0.883 0.670 CB 1.547 95 residues pruned to eliminate duplicates Z: 11 16.772 1.849 0.992 0.587 0.900 0.800 CA 1.472 9 residues pruned to eliminate duplicates Z: 28 25.648 2.108 0.625 0.553 0.963 0.519 CB 1.420 28 residues pruned to eliminate duplicates Z: 27 19.714 1.800 0.816 0.538 0.885 0.692 CB 1.287 27 residues pruned to eliminate duplicates Z: 41 44.513 2.193 1.048 0.535 0.925 0.675 CB 1.636 41 residues pruned to eliminate duplicates Z: 99 68.941 2.221 0.953 0.573 0.949 0.724 CB 1.577 99 residues pruned to eliminate duplicates Z: 17 17.264 1.900 0.725 0.568 0.938 0.625 CB 1.315 17 residues pruned to eliminate duplicates Z: 12 39.685 2.409 0.975 0.908 1.000 1.000 CB 1.785 12 residues pruned to eliminate duplicates Z: 13 20.710 2.005 1.133 0.652 0.917 0.833 CA 1.324 13 residues pruned to eliminate duplicates Z: 11 19.862 1.954 1.054 0.554 1.000 0.700 CB 1.485 11 residues pruned to eliminate duplicates Z: 20 17.634 1.711 0.967 0.546 0.895 0.579 CB 1.284 20 residues pruned to eliminate duplicates Z: 40 37.619 2.217 0.907 0.504 0.872 0.615 CB 1.628 40 residues pruned to eliminate duplicates Z: 133 78.679 2.220 0.874 0.612 0.924 0.705 CB 1.601 133 residues pruned to eliminate duplicates Z: 11 18.287 1.868 0.853 0.900 1.000 0.500 CB 1.194 11 residues pruned to eliminate duplicates Z: 94 57.078 2.227 0.847 0.494 0.925 0.688 CB 1.565 135 residues pruned to eliminate duplicates Z: 6 6.288 1.631 0.225 0.805 1.000 0.800 CA 1.078 6 residues pruned to eliminate duplicates Z: 132 84.612 2.254 0.957 0.611 0.939 0.702 CB 1.607 132 residues pruned to eliminate duplicates Z: 7 3.437 1.495 0.429 0.363 0.667 0.500 CB 1.142 Z: 28 32.597 2.207 0.675 0.658 0.963 0.556 CB 1.521 28 residues pruned to eliminate duplicates Z: 125 84.927 2.286 0.929 0.587 0.960 0.710 CB 1.658 125 residues pruned to eliminate duplicates Z: 24 17.725 1.816 0.736 0.541 0.913 0.739 CB 1.234 24 residues pruned to eliminate duplicates Z: 29 33.181 2.377 0.645 0.477 0.964 0.607 CB 1.702 Z: 15 29.252 2.258 0.727 0.831 0.929 0.643 CA 1.622 15 residues pruned to eliminate duplicates Z: 6 9.378 2.028 0.491 0.428 1.000 0.800 CB 1.494 6 residues pruned to eliminate duplicates Z: 17 23.523 2.091 0.473 0.764 0.938 0.625 CA 1.611 17 residues pruned to eliminate duplicates Z: 18 23.653 2.146 0.745 0.642 0.824 0.647 CA 1.629 18 residues pruned to eliminate duplicates Z: 50 52.385 2.257 0.990 0.597 0.939 0.633 CB 1.618 50 residues pruned to eliminate duplicates Z: 40 38.393 2.167 0.767 0.634 0.897 0.718 CB 1.578 40 residues pruned to eliminate duplicates Z: 6 2.478 1.389 0.413 0.581 0.800 0.600 CB 0.653 Z: 9 6.385 1.580 0.666 0.350 0.875 0.375 CB 1.153 9 residues pruned to eliminate duplicates Z: 13 25.611 2.178 0.566 0.839 1.000 0.833 CB 1.618 13 residues pruned to eliminate duplicates Z: 81 71.325 2.291 0.990 0.578 0.950 0.688 CB 1.707 81 residues pruned to eliminate duplicates Z: 46 42.874 2.227 0.647 0.656 0.956 0.622 CB 1.577 46 residues pruned to eliminate duplicates Z: 7 4.846 1.604 0.234 0.409 0.833 0.667 CA 1.320 7 residues pruned to eliminate duplicates Z: 39 36.707 2.274 0.951 0.471 0.816 0.605 CB 1.693 39 residues pruned to eliminate duplicates Z: 6 2.357 1.649 -0.176 0.328 0.800 0.400 CA 1.172 Z: 6 6.969 1.634 0.318 0.748 1.000 0.600 CA 1.159 6 residues pruned to eliminate duplicates Z: 123 81.531 2.265 0.983 0.589 0.926 0.672 CB 1.630 123 residues pruned to eliminate duplicates Z: 6 3.234 1.381 0.314 0.577 1.000 0.400 C 0.740 Z: 14 37.000 2.294 0.915 0.904 1.000 0.769 CB 1.665 14 residues pruned to eliminate duplicates Z: 88 60.790 2.229 0.784 0.599 0.954 0.701 CB 1.563 88 residues pruned to eliminate duplicates Z: 27 25.461 2.186 0.610 0.461 0.885 0.577 CB 1.669 27 residues pruned to eliminate duplicates Z: 31 30.680 2.159 0.701 0.546 1.000 0.633 CB 1.458 26 residues pruned to eliminate duplicates Z: 45 65.115 2.344 1.082 0.677 0.977 0.727 CB 1.749 45 residues pruned to eliminate duplicates 6 1.934 1.570 -0.011 0.355 0.800 0.800 CB 0.814 ? Z: 32 27.727 2.131 0.731 0.535 0.903 0.677 CB 1.445 32 residues pruned to eliminate duplicates Z: 131 81.330 2.291 0.834 0.598 0.931 0.700 CB 1.661 131 residues pruned to eliminate duplicates Z: 9 6.955 1.723 0.419 0.363 0.875 0.375 CB 1.333 9 residues pruned to eliminate duplicates Z: 121 70.830 2.235 0.920 0.559 0.900 0.675 CB 1.582 121 residues pruned to eliminate duplicates Z: 6 4.189 1.649 -0.174 0.663 0.800 0.800 CA 1.477 6 residues pruned to eliminate duplicates Z: 22 26.234 1.899 0.936 0.654 1.000 0.762 CB 1.349 22 residues pruned to eliminate duplicates Z: 22 18.949 2.262 0.411 0.464 0.857 0.524 CB 1.568 22 residues pruned to eliminate duplicates Z: 9 2.242 1.396 0.316 0.367 0.750 0.375 CB 0.664 Z: 63 47.210 2.194 0.940 0.500 0.903 0.742 CB 1.560 63 residues pruned to eliminate duplicates Z: 64 55.344 2.251 1.020 0.488 0.921 0.730 CB 1.685 64 residues pruned to eliminate duplicates Z: 10 16.236 2.151 0.177 0.904 1.000 0.778 CA 1.523 10 residues pruned to eliminate duplicates Z: 31 29.511 2.100 0.831 0.544 0.900 0.800 CB 1.491 31 residues pruned to eliminate duplicates Z: 99 75.935 2.277 0.975 0.588 0.959 0.704 CB 1.634 99 residues pruned to eliminate duplicates Z: 25 27.488 2.090 0.674 0.561 1.000 0.708 CB 1.513 25 residues pruned to eliminate duplicates Z: 53 51.411 2.219 0.905 0.559 0.962 0.654 CB 1.656 53 residues pruned to eliminate duplicates Z: 18 16.539 2.010 0.592 0.627 0.824 0.471 CB 1.350 16 residues pruned to eliminate duplicates 6 1.587 1.246 0.566 0.329 1.000 0.400 N 0.439 ? Z: 87 56.518 2.173 0.939 0.569 0.895 0.640 CB 1.512 87 residues pruned to eliminate duplicates Z: 45 36.930 2.216 0.747 0.601 0.909 0.750 CB 1.436 45 residues pruned to eliminate duplicates Z: 78 59.269 2.267 0.880 0.532 0.935 0.675 CB 1.642 78 residues pruned to eliminate duplicates Z: 49 45.385 2.208 0.893 0.519 0.917 0.792 CB 1.678 49 residues pruned to eliminate duplicates Z: 6 4.160 1.392 0.317 0.568 0.800 0.800 N 1.188 6 residues pruned to eliminate duplicates Z: 14 23.696 2.294 0.740 0.547 0.923 0.692 CB 1.703 14 residues pruned to eliminate duplicates Z: 25 27.432 2.276 0.951 0.439 0.875 0.625 CB 1.534 25 residues pruned to eliminate duplicates Z: 37 49.349 2.208 1.157 0.571 0.972 0.694 CB 1.659 37 residues pruned to eliminate duplicates Z: 10 13.423 1.835 0.572 0.738 1.000 0.778 CA 1.253 10 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 6 3.276 1.294 1.287 0.470 1.000 0.600 CA 0.511 6 residues pruned to eliminate duplicates Z: 13 26.924 2.017 1.206 0.668 1.000 0.750 CB 1.495 14 residues pruned to eliminate duplicates Z: 6 5.526 1.594 1.343 0.276 0.800 0.600 CA 1.066 6 residues pruned to eliminate duplicates Z: 24 24.342 1.914 0.832 0.664 0.957 0.696 CB 1.300 24 residues pruned to eliminate duplicates Z: 26 21.254 1.856 0.789 0.553 0.920 0.720 CB 1.322 26 residues pruned to eliminate duplicates Z: 23 26.059 1.984 0.907 0.556 1.000 0.682 CA 1.391 23 residues pruned to eliminate duplicates Z: 6 4.066 1.229 0.561 0.462 1.000 0.400 CA 0.985 6 residues pruned to eliminate duplicates Z: 26 18.710 1.864 0.854 0.485 0.880 0.560 CB 1.249 26 residues pruned to eliminate duplicates Z: 24 22.160 1.919 0.809 0.560 1.000 0.696 CB 1.256 24 residues pruned to eliminate duplicates Z: 25 20.184 1.882 0.708 0.556 1.000 0.625 CB 1.214 25 residues pruned to eliminate duplicates Z: 24 25.427 1.949 0.770 0.614 1.000 0.652 CB 1.379 24 residues pruned to eliminate duplicates Z: 13 11.847 1.755 0.538 0.476 1.000 0.750 CB 1.299 13 residues pruned to eliminate duplicates Z: 24 24.479 1.947 0.847 0.584 0.957 0.739 CB 1.369 24 residues pruned to eliminate duplicates Z: 23 25.467 2.007 0.743 0.581 1.000 0.682 CB 1.436 23 residues pruned to eliminate duplicates Z: 27 19.290 1.826 0.821 0.483 0.923 0.654 CB 1.253 27 residues pruned to eliminate duplicates Z: 11 13.449 1.831 0.654 0.607 1.000 0.700 CB 1.268 11 residues pruned to eliminate duplicates Z: 26 20.776 1.806 0.865 0.529 0.960 0.640 CB 1.249 26 residues pruned to eliminate duplicates Z: 11 10.803 1.852 0.804 0.602 0.800 0.700 CB 1.161 11 residues pruned to eliminate duplicates Z: 131 79.490 2.276 0.842 0.592 0.931 0.685 CB 1.636 131 residues pruned to eliminate duplicates Z: 49 59.658 2.330 1.053 0.618 0.917 0.625 CB 1.756 49 residues pruned to eliminate duplicates Z: 44 58.343 2.379 1.003 0.610 0.930 0.628 CB 1.809 44 residues pruned to eliminate duplicates Z: 47 55.833 2.310 0.953 0.596 0.957 0.652 CB 1.741 47 residues pruned to eliminate duplicates Z: 49 57.787 2.350 1.090 0.572 0.896 0.646 CB 1.769 49 residues pruned to eliminate duplicates Z: 33 58.280 2.352 1.091 0.706 0.969 0.719 CB 1.793 33 residues pruned to eliminate duplicates Z: 127 77.936 2.313 0.819 0.587 0.921 0.675 CB 1.649 127 residues pruned to eliminate duplicates Z: 34 55.814 2.326 1.021 0.688 0.970 0.636 CB 1.794 34 residues pruned to eliminate duplicates Z: 35 52.376 2.317 1.066 0.664 0.941 0.706 CB 1.712 35 residues pruned to eliminate duplicates Z: 33 52.360 2.324 1.190 0.648 0.906 0.656 CA 1.747 33 residues pruned to eliminate duplicates Z: 128 87.108 2.307 0.939 0.605 0.929 0.693 CB 1.683 128 residues pruned to eliminate duplicates Z: 48 57.456 2.322 1.149 0.599 0.915 0.660 CB 1.671 48 residues pruned to eliminate duplicates Z: 32 56.460 2.379 1.119 0.638 0.968 0.710 CA 1.827 32 residues pruned to eliminate duplicates Z: 130 80.740 2.291 0.875 0.585 0.922 0.628 CB 1.654 130 residues pruned to eliminate duplicates Z: 49 52.965 2.316 1.089 0.557 0.875 0.667 CB 1.708 50 residues pruned to eliminate duplicates Z: 17 50.396 2.406 1.208 0.812 0.938 0.625 CB 1.928 17 residues pruned to eliminate duplicates Z: 46 50.758 2.325 0.938 0.590 0.889 0.556 CB 1.733 46 residues pruned to eliminate duplicates Z: 33 58.185 2.349 1.180 0.665 0.969 0.719 CB 1.780 33 residues pruned to eliminate duplicates Z: 101 68.107 2.294 0.847 0.559 0.930 0.730 CB 1.632 101 residues pruned to eliminate duplicates Z: 48 57.955 2.309 1.028 0.600 0.936 0.723 CB 1.754 48 residues pruned to eliminate duplicates Z: 45 58.754 2.375 1.113 0.617 0.886 0.659 CB 1.782 45 residues pruned to eliminate duplicates Z: 46 61.794 2.342 1.064 0.638 0.978 0.600 CB 1.712 46 residues pruned to eliminate duplicates Z: 45 63.957 2.360 1.106 0.634 0.955 0.591 CB 1.792 45 residues pruned to eliminate duplicates Z: 34 59.049 2.321 1.069 0.690 1.000 0.606 CB 1.798 34 residues pruned to eliminate duplicates Z: 46 62.517 2.362 1.161 0.615 0.956 0.622 CB 1.714 46 residues pruned to eliminate duplicates Z: 6 6.043 1.776 0.483 0.479 1.000 0.800 CA 1.048 6 residues pruned to eliminate duplicates Z: 45 59.856 2.375 1.056 0.619 0.955 0.591 CB 1.730 45 residues pruned to eliminate duplicates Z: 32 49.288 2.375 1.013 0.640 0.903 0.613 CB 1.798 32 residues pruned to eliminate duplicates Z: 49 54.538 2.325 1.037 0.586 0.854 0.646 CB 1.791 49 residues pruned to eliminate duplicates Z: 45 61.694 2.347 1.052 0.642 0.955 0.659 CB 1.772 45 residues pruned to eliminate duplicates Z: 49 59.183 2.333 1.070 0.605 0.917 0.688 CB 1.747 48 residues pruned to eliminate duplicates Z: 7 2.812 1.471 0.160 0.425 0.833 0.000 CA 0.872 7 residues pruned to eliminate duplicates Z: 101 72.329 2.307 0.955 0.579 0.890 0.700 CB 1.670 101 residues pruned to eliminate duplicates Z: 45 63.170 2.365 1.076 0.609 0.977 0.591 CA 1.789 45 residues pruned to eliminate duplicates Z: 45 61.795 2.371 1.045 0.624 0.977 0.614 CB 1.749 45 residues pruned to eliminate duplicates Z: 51 57.593 2.305 1.066 0.605 0.920 0.620 CB 1.683 51 residues pruned to eliminate duplicates Z: 60 56.656 2.290 1.016 0.572 0.915 0.678 CB 1.628 60 residues pruned to eliminate duplicates Z: 13 32.330 2.415 1.148 0.567 0.917 0.750 CA 1.840 13 residues pruned to eliminate duplicates Z: 49 54.953 2.306 1.078 0.600 0.896 0.625 CB 1.680 49 residues pruned to eliminate duplicates Z: 14 27.325 2.307 1.208 0.547 0.846 0.769 CB 1.680 14 residues pruned to eliminate duplicates Z: 16 24.583 2.253 1.080 0.499 0.800 0.667 CB 1.694 16 residues pruned to eliminate duplicates Z: 61 66.767 2.320 1.042 0.584 0.950 0.650 CB 1.766 61 residues pruned to eliminate duplicates Z: 97 69.063 2.279 0.876 0.587 0.938 0.625 CB 1.618 97 residues pruned to eliminate duplicates Z: 6 4.839 1.789 0.716 0.402 0.600 0.600 CA 1.302 6 residues pruned to eliminate duplicates Z: 67 56.814 2.293 0.897 0.537 0.924 0.727 CB 1.677 67 residues pruned to eliminate duplicates Z: 130 85.160 2.287 0.941 0.604 0.930 0.698 CB 1.645 128 residues pruned to eliminate duplicates Z: 6 8.366 2.107 0.553 0.488 1.000 1.000 CA 1.157 6 residues pruned to eliminate duplicates Z: 133 78.320 2.232 0.909 0.567 0.932 0.629 CB 1.609 133 residues pruned to eliminate duplicates Z: 81 56.802 2.256 0.730 0.605 0.938 0.688 CB 1.570 81 residues pruned to eliminate duplicates Z: 68 59.704 2.324 0.926 0.556 0.910 0.746 CB 1.695 68 residues pruned to eliminate duplicates Z: 90 58.225 2.220 0.760 0.587 0.944 0.607 CB 1.539 90 residues pruned to eliminate duplicates Z: 82 55.659 2.218 0.746 0.564 0.938 0.667 CB 1.600 82 residues pruned to eliminate duplicates Z: 81 59.485 2.239 0.825 0.596 0.938 0.700 CB 1.585 81 residues pruned to eliminate duplicates Z: 96 63.084 2.257 0.841 0.564 0.905 0.695 CB 1.617 96 residues pruned to eliminate duplicates Z: 126 87.218 2.316 0.950 0.614 0.928 0.656 CB 1.671 127 residues pruned to eliminate duplicates Z: 14 25.223 1.938 0.881 0.756 1.000 0.923 CB 1.528 14 residues pruned to eliminate duplicates Z: 96 65.898 2.238 0.893 0.573 0.937 0.642 CB 1.587 99 residues pruned to eliminate duplicates Z: 11 16.065 1.958 0.489 0.852 0.900 0.800 CB 1.433 11 residues pruned to eliminate duplicates Z: 36 36.509 2.161 0.827 0.538 0.943 0.714 CB 1.597 36 residues pruned to eliminate duplicates Z: 82 56.661 2.262 0.763 0.585 0.914 0.704 CB 1.592 82 residues pruned to eliminate duplicates Z: 38 36.432 2.177 0.756 0.533 1.000 0.811 CB 1.517 38 residues pruned to eliminate duplicates Z: 82 61.961 2.254 0.865 0.602 0.926 0.630 CB 1.605 82 residues pruned to eliminate duplicates Z: 32 37.493 2.222 0.901 0.523 0.935 0.677 CB 1.665 32 residues pruned to eliminate duplicates Z: 82 68.887 2.282 0.936 0.574 0.938 0.667 CB 1.720 82 residues pruned to eliminate duplicates Z: 81 77.075 2.314 1.101 0.588 0.938 0.750 CB 1.739 81 residues pruned to eliminate duplicates Z: 129 84.240 2.294 0.945 0.592 0.922 0.656 CB 1.658 129 residues pruned to eliminate duplicates Z: 82 60.481 2.255 0.773 0.598 0.951 0.679 CB 1.611 82 residues pruned to eliminate duplicates Z: 129 78.224 2.275 0.859 0.576 0.922 0.609 CB 1.648 129 residues pruned to eliminate duplicates Z: 127 82.493 2.277 0.919 0.600 0.944 0.651 CB 1.619 127 residues pruned to eliminate duplicates Z: 101 74.057 2.295 0.965 0.575 0.940 0.660 CB 1.624 101 residues pruned to eliminate duplicates Z: 130 89.395 2.303 0.946 0.621 0.930 0.736 CB 1.684 129 residues pruned to eliminate duplicates Z: 6 4.710 1.745 0.577 0.384 0.800 0.600 CA 1.083 6 residues pruned to eliminate duplicates Z: 54 49.252 2.276 0.870 0.548 0.925 0.698 CB 1.641 54 residues pruned to eliminate duplicates Z: 81 64.057 2.265 0.818 0.607 0.975 0.700 CB 1.611 81 residues pruned to eliminate duplicates Z: 85 58.829 2.237 0.733 0.591 0.940 0.655 CB 1.613 87 residues pruned to eliminate duplicates Z: 7 6.405 1.838 0.021 0.527 1.000 0.667 CB 1.357 7 residues pruned to eliminate duplicates Z: 87 64.106 2.256 0.886 0.594 0.942 0.698 CB 1.577 87 residues pruned to eliminate duplicates Z: 90 72.013 2.290 1.007 0.596 0.955 0.719 CB 1.587 90 residues pruned to eliminate duplicates Z: 57 44.216 2.211 0.892 0.521 0.911 0.661 CB 1.519 57 residues pruned to eliminate duplicates Z: 54 47.095 2.252 0.762 0.617 0.925 0.623 CB 1.579 52 residues pruned to eliminate duplicates Z: 6 6.656 1.969 0.546 0.407 0.800 0.400 C 1.349 6 residues pruned to eliminate duplicates Z: 129 90.411 2.297 0.976 0.604 0.953 0.648 CB 1.674 130 residues pruned to eliminate duplicates 6 1.912 1.711 0.622 0.289 0.400 0.400 CB 0.976 ? Z: 8 4.585 1.378 0.908 0.445 0.857 0.571 CB 0.814 8 residues pruned to eliminate duplicates Z: 128 75.085 2.262 0.847 0.580 0.921 0.693 CB 1.603 128 residues pruned to eliminate duplicates Z: 60 42.412 2.220 0.688 0.583 0.898 0.593 CB 1.514 60 residues pruned to eliminate duplicates Z: 86 61.685 2.267 0.884 0.594 0.906 0.694 CB 1.580 86 residues pruned to eliminate duplicates Z: 65 46.253 2.212 0.791 0.592 0.891 0.688 CB 1.500 65 residues pruned to eliminate duplicates Z: 82 46.887 2.174 0.695 0.568 0.914 0.556 CB 1.450 76 residues pruned to eliminate duplicates Z: 19 33.479 2.170 0.838 0.708 1.000 0.722 CA 1.638 19 residues pruned to eliminate duplicates Z: 56 42.538 2.196 0.776 0.604 0.909 0.636 CB 1.465 56 residues pruned to eliminate duplicates Z: 53 42.344 2.275 0.735 0.584 0.904 0.615 CB 1.518 53 residues pruned to eliminate duplicates Z: 128 82.740 2.305 0.884 0.594 0.921 0.669 CB 1.677 128 residues pruned to eliminate duplicates Z: 84 61.120 2.256 0.762 0.568 0.976 0.687 CB 1.619 84 residues pruned to eliminate duplicates Z: 82 52.783 2.253 0.739 0.545 0.926 0.617 CB 1.548 82 residues pruned to eliminate duplicates Z: 128 81.155 2.286 0.929 0.590 0.929 0.614 CB 1.612 128 residues pruned to eliminate duplicates Z: 91 53.549 2.169 0.780 0.538 0.956 0.600 CB 1.473 91 residues pruned to eliminate duplicates Z: 91 55.225 2.188 0.852 0.562 0.911 0.633 CB 1.485 91 residues pruned to eliminate duplicates Z: 96 60.088 2.241 0.832 0.562 0.916 0.674 CB 1.544 96 residues pruned to eliminate duplicates Z: 52 42.538 2.264 0.793 0.600 0.882 0.588 CB 1.513 52 residues pruned to eliminate duplicates Z: 55 42.880 2.240 0.734 0.565 0.907 0.611 CB 1.554 55 residues pruned to eliminate duplicates Z: 84 55.586 2.236 0.824 0.557 0.940 0.639 CB 1.505 84 residues pruned to eliminate duplicates Z: 96 68.084 2.273 0.900 0.575 0.926 0.695 CB 1.625 96 residues pruned to eliminate duplicates Z: 84 57.602 2.267 0.796 0.560 0.940 0.663 CB 1.559 84 residues pruned to eliminate duplicates Z: 84 62.491 2.284 0.828 0.587 0.928 0.699 CB 1.629 84 residues pruned to eliminate duplicates Z: 87 58.202 2.248 0.867 0.590 0.907 0.616 CB 1.513 87 residues pruned to eliminate duplicates Z: 55 44.625 2.240 0.809 0.611 0.907 0.574 CB 1.486 55 residues pruned to eliminate duplicates Z: 54 37.892 2.222 0.692 0.591 0.868 0.604 CB 1.462 54 residues pruned to eliminate duplicates Z: 84 63.235 2.272 0.887 0.569 0.952 0.627 CB 1.591 84 residues pruned to eliminate duplicates Z: 49 43.131 2.252 0.787 0.633 0.938 0.583 CB 1.457 49 residues pruned to eliminate duplicates Z: 98 65.536 2.260 0.894 0.579 0.918 0.660 CB 1.571 98 residues pruned to eliminate duplicates Z: 59 33.780 2.132 0.592 0.573 0.879 0.621 CB 1.384 59 residues pruned to eliminate duplicates Z: 65 47.341 2.200 0.703 0.635 0.922 0.672 CB 1.509 65 residues pruned to eliminate duplicates Z: 41 35.514 2.185 0.624 0.645 0.925 0.550 CB 1.494 41 residues pruned to eliminate duplicates Z: 54 47.814 2.233 0.790 0.616 0.943 0.660 CB 1.562 54 residues pruned to eliminate duplicates Z: 85 61.697 2.218 0.850 0.592 0.952 0.690 CB 1.578 85 residues pruned to eliminate duplicates Z: 57 40.556 2.236 0.663 0.588 0.911 0.607 CB 1.471 57 residues pruned to eliminate duplicates Z: 109 63.796 2.242 0.811 0.545 0.926 0.611 CB 1.563 109 residues pruned to eliminate duplicates Z: 37 31.178 2.108 0.610 0.656 0.917 0.556 CB 1.444 37 residues pruned to eliminate duplicates Z: 50 36.273 2.118 0.735 0.586 0.918 0.571 CB 1.414 50 residues pruned to eliminate duplicates Z: 7 3.543 1.361 0.087 0.427 1.000 0.500 CB 1.055 7 residues pruned to eliminate duplicates Z: 14 5.978 1.625 0.538 0.374 0.846 0.538 CB 0.897 14 residues pruned to eliminate duplicates Z: 13 8.122 1.649 0.317 0.544 1.000 0.667 CB 1.035 13 residues pruned to eliminate duplicates Z: 41 21.932 1.984 0.542 0.438 0.925 0.500 CB 1.307 41 residues pruned to eliminate duplicates Z: 27 28.343 2.182 0.547 0.571 1.000 0.577 CB 1.537 27 residues pruned to eliminate duplicates Z: 19 15.433 2.045 0.287 0.534 0.944 0.389 CB 1.414 19 residues pruned to eliminate duplicates Z: 35 31.057 2.232 0.674 0.496 0.941 0.529 CB 1.521 35 residues pruned to eliminate duplicates Z: 29 26.552 2.163 0.556 0.546 1.000 0.464 CB 1.426 29 residues pruned to eliminate duplicates Z: 26 28.491 2.271 0.623 0.553 0.960 0.560 CB 1.530 26 residues pruned to eliminate duplicates Z: 26 23.231 2.240 0.532 0.549 0.840 0.560 CB 1.537 26 residues pruned to eliminate duplicates Z: 32 25.119 2.069 0.584 0.527 0.935 0.581 CB 1.433 32 residues pruned to eliminate duplicates Z: 28 24.924 2.129 0.571 0.558 0.926 0.519 CB 1.463 28 residues pruned to eliminate duplicates Z: 33 26.277 2.077 0.557 0.543 0.938 0.625 CB 1.469 33 residues pruned to eliminate duplicates Z: 29 28.249 2.127 0.685 0.542 0.964 0.571 CB 1.483 29 residues pruned to eliminate duplicates Z: 33 24.981 2.082 0.577 0.533 0.906 0.531 CB 1.436 33 residues pruned to eliminate duplicates Z: 40 20.712 2.013 0.485 0.452 0.872 0.513 CB 1.336 40 residues pruned to eliminate duplicates Z: 35 24.051 2.031 0.589 0.477 0.882 0.559 CB 1.482 35 residues pruned to eliminate duplicates Z: 35 32.728 2.243 0.671 0.540 0.941 0.559 CB 1.530 35 residues pruned to eliminate duplicates Z: 31 28.452 2.162 0.597 0.574 0.933 0.633 CB 1.500 31 residues pruned to eliminate duplicates Z: 36 35.797 2.215 0.756 0.531 0.971 0.657 CB 1.552 35 residues pruned to eliminate duplicates Z: 7 4.368 1.764 -0.026 0.469 1.000 0.667 CB 1.071 7 residues pruned to eliminate duplicates Z: 32 23.991 2.077 0.489 0.493 0.935 0.581 CB 1.500 32 residues pruned to eliminate duplicates Z: 31 33.546 2.321 0.710 0.532 0.933 0.700 CB 1.602 31 residues pruned to eliminate duplicates Z: 13 14.255 2.084 0.841 0.474 0.917 0.583 CB 1.202 13 residues pruned to eliminate duplicates Z: 35 30.945 2.246 0.627 0.496 0.971 0.618 CB 1.502 35 residues pruned to eliminate duplicates Z: 6 6.135 1.934 0.434 0.382 0.800 0.600 CA 1.403 6 residues pruned to eliminate duplicates Z: 33 21.065 2.053 0.495 0.477 0.906 0.531 CB 1.369 33 residues pruned to eliminate duplicates Z: 20 24.393 2.236 0.874 0.485 0.895 0.789 CB 1.516 20 residues pruned to eliminate duplicates Z: 40 31.501 2.117 0.643 0.487 1.000 0.615 CB 1.469 40 residues pruned to eliminate duplicates Z: 6 8.700 1.841 0.716 0.450 1.000 0.400 CB 1.296 6 residues pruned to eliminate duplicates Z: 12 21.241 2.269 0.977 0.488 0.909 0.727 CB 1.590 12 residues pruned to eliminate duplicates Z: 41 32.573 2.123 0.740 0.532 0.950 0.575 CB 1.422 41 residues pruned to eliminate duplicates Z: 6 13.381 1.923 1.032 0.445 1.000 0.800 CA 1.620 7 residues pruned to eliminate duplicates Z: 6 6.172 1.615 0.922 0.336 0.800 0.600 CB 1.330 6 residues pruned to eliminate duplicates Z: 15 24.074 2.190 1.057 0.471 0.929 0.643 CB 1.584 15 residues pruned to eliminate duplicates Z: 25 24.139 2.132 0.457 0.552 0.875 0.583 CB 1.723 25 residues pruned to eliminate duplicates Z: 12 13.886 2.004 0.363 0.533 1.000 0.455 CB 1.483 12 residues pruned to eliminate duplicates Z: 32 30.858 2.170 0.551 0.482 1.000 0.516 CB 1.678 32 residues pruned to eliminate duplicates Z: 32 35.164 2.184 0.689 0.532 0.968 0.613 CB 1.714 32 residues pruned to eliminate duplicates Z: 26 27.383 2.056 0.656 0.535 0.920 0.480 CB 1.689 26 residues pruned to eliminate duplicates Z: 12 14.434 2.019 0.412 0.547 1.000 0.455 CB 1.458 12 residues pruned to eliminate duplicates Z: 25 28.236 2.080 0.606 0.622 0.958 0.542 CB 1.605 26 residues pruned to eliminate duplicates Z: 6 5.950 1.805 0.435 0.418 1.000 0.400 CA 1.119 6 residues pruned to eliminate duplicates Z: 33 29.277 2.141 0.693 0.458 0.906 0.594 CB 1.645 33 residues pruned to eliminate duplicates Z: 25 26.186 2.099 0.587 0.540 0.917 0.542 CB 1.683 25 residues pruned to eliminate duplicates Z: 34 25.567 2.130 0.516 0.474 0.848 0.545 CB 1.668 34 residues pruned to eliminate duplicates Z: 26 26.141 2.081 0.573 0.527 0.920 0.600 CB 1.691 26 residues pruned to eliminate duplicates Z: 34 29.088 2.131 0.596 0.487 0.939 0.545 CB 1.606 34 residues pruned to eliminate duplicates Z: 23 21.557 2.158 0.478 0.539 0.818 0.636 CB 1.696 23 residues pruned to eliminate duplicates Z: 33 26.597 2.073 0.670 0.514 0.906 0.625 CB 1.478 33 residues pruned to eliminate duplicates Z: 26 24.594 2.056 0.642 0.541 0.840 0.560 CA 1.665 26 residues pruned to eliminate duplicates Z: 32 29.836 2.135 0.563 0.484 0.968 0.484 CB 1.686 32 residues pruned to eliminate duplicates Z: 26 22.696 2.056 0.452 0.553 0.920 0.440 CB 1.570 26 residues pruned to eliminate duplicates Z: 26 27.514 2.087 0.552 0.546 1.000 0.600 CB 1.625 26 residues pruned to eliminate duplicates Z: 7 6.395 1.635 0.638 0.284 1.000 0.500 CA 1.243 7 residues pruned to eliminate duplicates Z: 32 31.004 2.191 0.602 0.507 0.935 0.548 CB 1.683 32 residues pruned to eliminate duplicates Z: 25 26.727 2.090 0.573 0.605 0.917 0.542 CA 1.639 25 residues pruned to eliminate duplicates Z: 33 38.040 2.181 0.802 0.529 0.969 0.625 CB 1.716 33 residues pruned to eliminate duplicates Z: 12 24.025 2.180 0.936 0.448 1.000 0.636 CB 1.811 12 residues pruned to eliminate duplicates Z: 14 19.074 2.113 0.884 0.369 0.923 0.538 CB 1.657 14 residues pruned to eliminate duplicates Z: 34 31.779 2.131 0.586 0.506 0.970 0.545 CB 1.678 33 residues pruned to eliminate duplicates Z: 6 2.582 1.487 0.747 0.373 0.800 0.800 CA 0.637 6 residues pruned to eliminate duplicates Z: 14 21.747 2.114 1.093 0.394 0.923 0.615 CB 1.651 14 residues pruned to eliminate duplicates Z: 18 15.699 1.946 0.736 0.334 0.941 0.588 CB 1.435 18 residues pruned to eliminate duplicates Z: 18 31.320 2.250 1.094 0.544 0.882 0.765 CB 1.750 18 residues pruned to eliminate duplicates Z: 81 65.805 2.274 0.986 0.559 0.913 0.675 CB 1.685 81 residues pruned to eliminate duplicates Z: 82 66.616 2.267 0.915 0.579 0.951 0.679 CB 1.662 82 residues pruned to eliminate duplicates Z: 83 65.458 2.232 0.982 0.553 0.939 0.695 CB 1.651 83 residues pruned to eliminate duplicates Z: 64 52.222 2.179 0.933 0.558 0.905 0.698 CB 1.632 64 residues pruned to eliminate duplicates Z: 52 49.863 2.239 0.950 0.554 0.902 0.627 CB 1.682 52 residues pruned to eliminate duplicates Z: 48 53.760 2.314 0.885 0.577 0.957 0.638 CB 1.743 48 residues pruned to eliminate duplicates Z: 48 50.426 2.253 0.966 0.588 0.915 0.596 CB 1.668 48 residues pruned to eliminate duplicates Z: 33 49.300 2.249 1.027 0.668 0.969 0.594 CB 1.690 33 residues pruned to eliminate duplicates Z: 82 64.422 2.269 0.923 0.567 0.926 0.691 CB 1.661 82 residues pruned to eliminate duplicates Z: 101 67.192 2.225 0.997 0.555 0.910 0.670 CB 1.575 101 residues pruned to eliminate duplicates Z: 81 66.462 2.283 0.903 0.554 0.950 0.700 CB 1.708 81 residues pruned to eliminate duplicates Z: 133 76.342 2.213 0.851 0.585 0.939 0.636 CB 1.591 133 residues pruned to eliminate duplicates Z: 19 27.426 2.213 0.799 0.719 0.833 0.611 CB 1.599 19 residues pruned to eliminate duplicates Z: 90 77.690 2.304 0.979 0.590 0.978 0.742 CB 1.695 90 residues pruned to eliminate duplicates Z: 81 70.820 2.283 0.952 0.583 0.963 0.713 CB 1.704 81 residues pruned to eliminate duplicates Z: 45 56.061 2.317 0.891 0.635 0.977 0.659 CB 1.739 45 residues pruned to eliminate duplicates Z: 82 68.410 2.274 0.955 0.557 0.951 0.691 CB 1.702 82 residues pruned to eliminate duplicates Z: 81 68.007 2.292 0.887 0.576 0.963 0.713 CB 1.698 81 residues pruned to eliminate duplicates Z: 129 80.025 2.251 0.883 0.585 0.945 0.656 CB 1.628 129 residues pruned to eliminate duplicates Z: 133 76.225 2.232 0.917 0.590 0.902 0.712 CB 1.578 133 residues pruned to eliminate duplicates Z: 81 70.453 2.281 1.034 0.579 0.938 0.675 CB 1.678 81 residues pruned to eliminate duplicates Z: 101 71.399 2.262 0.965 0.563 0.920 0.710 CB 1.643 101 residues pruned to eliminate duplicates Z: 81 67.880 2.294 0.900 0.567 0.950 0.725 CB 1.718 81 residues pruned to eliminate duplicates Z: 32 51.581 2.277 1.021 0.692 0.968 0.742 CB 1.745 32 residues pruned to eliminate duplicates Z: 47 51.297 2.239 0.947 0.583 0.935 0.674 CB 1.713 47 residues pruned to eliminate duplicates Z: 36 46.304 2.212 1.004 0.657 0.943 0.514 CB 1.618 36 residues pruned to eliminate duplicates Z: 81 71.748 2.288 1.066 0.586 0.925 0.700 CB 1.690 81 residues pruned to eliminate duplicates Z: 79 64.906 2.294 0.949 0.557 0.923 0.679 CB 1.684 79 residues pruned to eliminate duplicates Z: 48 52.765 2.238 0.995 0.623 0.915 0.638 CB 1.677 48 residues pruned to eliminate duplicates Z: 79 71.054 2.307 1.022 0.564 0.949 0.731 CB 1.708 79 residues pruned to eliminate duplicates Z: 49 51.755 2.217 0.920 0.622 0.958 0.750 CB 1.633 49 residues pruned to eliminate duplicates Z: 80 70.255 2.301 1.002 0.580 0.937 0.772 CB 1.697 80 residues pruned to eliminate duplicates Z: 46 54.623 2.291 0.930 0.630 0.956 0.689 CB 1.707 46 residues pruned to eliminate duplicates Z: 50 47.171 2.251 0.853 0.606 0.898 0.755 CB 1.626 50 residues pruned to eliminate duplicates Z: 47 49.099 2.191 1.069 0.628 0.891 0.696 CB 1.588 47 residues pruned to eliminate duplicates Z: 12 25.522 2.371 0.874 0.602 0.909 0.818 CA 1.730 12 residues pruned to eliminate duplicates Z: 84 70.792 2.237 1.032 0.588 0.940 0.687 CB 1.673 84 residues pruned to eliminate duplicates Z: 81 72.826 2.291 1.025 0.580 0.950 0.700 CB 1.711 81 residues pruned to eliminate duplicates Z: 47 47.674 2.300 1.048 0.506 0.891 0.783 CB 1.665 47 residues pruned to eliminate duplicates Z: 45 62.454 2.308 1.099 0.674 0.955 0.773 CB 1.734 45 residues pruned to eliminate duplicates Z: 80 77.346 2.304 1.121 0.598 0.949 0.696 CB 1.708 80 residues pruned to eliminate duplicates Z: 47 56.296 2.287 0.961 0.625 0.957 0.674 CB 1.720 47 residues pruned to eliminate duplicates Z: 47 57.536 2.294 0.961 0.641 0.957 0.717 CB 1.728 47 residues pruned to eliminate duplicates Z: 80 69.644 2.291 0.989 0.583 0.937 0.722 CB 1.695 80 residues pruned to eliminate duplicates Z: 50 53.574 2.290 1.029 0.600 0.918 0.633 CB 1.631 50 residues pruned to eliminate duplicates Z: 85 64.719 2.227 0.940 0.559 0.940 0.679 CB 1.640 85 residues pruned to eliminate duplicates Z: 81 68.681 2.263 1.013 0.573 0.938 0.688 CB 1.676 81 residues pruned to eliminate duplicates Z: 98 58.969 2.217 0.758 0.568 0.918 0.701 CB 1.568 98 residues pruned to eliminate duplicates Z: 47 50.018 2.281 0.918 0.526 0.957 0.717 CB 1.718 47 residues pruned to eliminate duplicates Z: 37 42.589 2.267 0.941 0.498 0.972 0.806 CB 1.662 37 residues pruned to eliminate duplicates Z: 32 45.560 2.252 1.183 0.528 0.968 0.806 CB 1.673 32 residues pruned to eliminate duplicates Z: 39 40.950 2.198 0.993 0.523 0.921 0.658 CB 1.610 39 residues pruned to eliminate duplicates Z: 36 45.929 2.201 1.257 0.549 0.971 0.714 CB 1.534 36 residues pruned to eliminate duplicates Z: 82 66.881 2.223 1.051 0.570 0.951 0.667 CB 1.602 82 residues pruned to eliminate duplicates Z: 132 72.234 2.199 0.937 0.580 0.878 0.672 CB 1.562 132 residues pruned to eliminate duplicates Z: 33 44.144 2.231 1.194 0.538 0.938 0.750 CB 1.638 33 residues pruned to eliminate duplicates Z: 39 35.985 2.155 0.933 0.504 0.868 0.658 CB 1.607 39 residues pruned to eliminate duplicates Z: 81 71.381 2.263 1.045 0.583 0.950 0.725 CB 1.677 81 residues pruned to eliminate duplicates Z: 83 71.446 2.265 1.066 0.589 0.927 0.695 CB 1.671 83 residues pruned to eliminate duplicates Z: 37 39.062 2.209 0.947 0.494 0.944 0.694 CB 1.613 37 residues pruned to eliminate duplicates Z: 33 44.818 2.218 1.151 0.555 0.969 0.750 CB 1.625 33 residues pruned to eliminate duplicates Z: 126 80.199 2.226 0.951 0.618 0.936 0.720 CB 1.578 126 residues pruned to eliminate duplicates Z: 38 39.468 2.196 1.133 0.490 0.919 0.676 CB 1.523 38 residues pruned to eliminate duplicates Z: 48 51.126 2.237 1.160 0.515 0.936 0.723 CB 1.624 48 residues pruned to eliminate duplicates Z: 93 71.771 2.253 1.010 0.588 0.957 0.761 CB 1.588 93 residues pruned to eliminate duplicates Z: 32 43.886 2.244 1.184 0.575 0.935 0.742 CB 1.600 32 residues pruned to eliminate duplicates Z: 92 51.284 2.148 0.885 0.529 0.868 0.659 CB 1.486 92 residues pruned to eliminate duplicates Z: 38 39.373 2.192 1.010 0.513 0.919 0.649 CB 1.578 38 residues pruned to eliminate duplicates Z: 92 70.773 2.260 0.996 0.590 0.934 0.736 CB 1.616 92 residues pruned to eliminate duplicates Z: 34 33.489 2.159 0.944 0.486 0.939 0.667 CB 1.500 34 residues pruned to eliminate duplicates Z: 83 67.087 2.212 1.012 0.607 0.939 0.707 CB 1.602 83 residues pruned to eliminate duplicates Z: 82 55.636 2.206 0.825 0.576 0.914 0.654 CB 1.562 82 residues pruned to eliminate duplicates Z: 65 53.207 2.203 1.009 0.544 0.938 0.750 CB 1.535 65 residues pruned to eliminate duplicates Z: 36 45.811 2.234 1.104 0.551 0.943 0.657 CB 1.663 36 residues pruned to eliminate duplicates Z: 36 45.316 2.222 1.190 0.536 0.971 0.600 CB 1.563 36 residues pruned to eliminate duplicates Z: 82 57.924 2.216 0.871 0.597 0.914 0.667 CB 1.550 82 residues pruned to eliminate duplicates Z: 47 42.466 2.232 1.011 0.510 0.913 0.674 CB 1.512 47 residues pruned to eliminate duplicates Z: 87 56.175 2.202 0.832 0.573 0.919 0.663 CB 1.523 87 residues pruned to eliminate duplicates Z: 89 58.260 2.198 0.862 0.577 0.920 0.659 CB 1.531 85 residues pruned to eliminate duplicates Z: 6 3.036 1.636 0.087 0.576 0.600 0.600 CA 1.183 6 residues pruned to eliminate duplicates Z: 13 23.900 2.162 0.948 0.673 0.917 0.833 CA 1.523 13 residues pruned to eliminate duplicates Z: 82 60.755 2.228 0.971 0.584 0.914 0.716 CB 1.553 82 residues pruned to eliminate duplicates Z: 87 53.380 2.155 0.889 0.553 0.895 0.674 CB 1.501 87 residues pruned to eliminate duplicates Z: 84 54.196 2.196 0.810 0.568 0.916 0.687 CB 1.531 84 residues pruned to eliminate duplicates Z: 92 53.692 2.132 0.905 0.532 0.901 0.604 CB 1.490 92 residues pruned to eliminate duplicates Z: 85 52.588 2.180 0.841 0.537 0.881 0.631 CB 1.565 85 residues pruned to eliminate duplicates Z: 134 80.209 2.228 0.936 0.579 0.932 0.699 CB 1.604 134 residues pruned to eliminate duplicates Z: 51 36.215 2.122 0.822 0.531 0.900 0.600 CB 1.427 51 residues pruned to eliminate duplicates Z: 99 60.105 2.213 0.867 0.539 0.918 0.653 CB 1.540 99 residues pruned to eliminate duplicates Z: 88 61.467 2.199 0.861 0.574 0.966 0.655 CB 1.552 88 residues pruned to eliminate duplicates Z: 99 60.184 2.190 0.835 0.578 0.908 0.694 CB 1.546 99 residues pruned to eliminate duplicates Z: 132 77.250 2.209 0.866 0.589 0.969 0.702 CB 1.551 132 residues pruned to eliminate duplicates Z: 118 72.006 2.221 0.945 0.571 0.940 0.667 CB 1.531 118 residues pruned to eliminate duplicates Z: 48 34.709 2.118 0.787 0.605 0.872 0.596 CB 1.388 48 residues pruned to eliminate duplicates Z: 132 79.455 2.227 0.959 0.597 0.931 0.664 CB 1.557 132 residues pruned to eliminate duplicates Z: 43 29.332 2.159 0.548 0.604 0.810 0.548 CB 1.516 43 residues pruned to eliminate duplicates Z: 133 79.387 2.233 0.914 0.576 0.932 0.667 CB 1.612 133 residues pruned to eliminate duplicates Z: 87 55.279 2.163 0.845 0.571 0.942 0.651 CB 1.481 87 residues pruned to eliminate duplicates Z: 89 55.668 2.184 0.878 0.570 0.909 0.670 CB 1.488 89 residues pruned to eliminate duplicates Z: 46 32.248 2.047 0.708 0.568 0.911 0.644 CB 1.413 46 residues pruned to eliminate duplicates Z: 31 25.043 2.134 0.636 0.539 0.867 0.567 CB 1.454 31 residues pruned to eliminate duplicates Z: 84 58.237 2.184 0.924 0.563 0.928 0.639 CB 1.543 84 residues pruned to eliminate duplicates Z: 88 54.492 2.193 0.873 0.543 0.908 0.632 CB 1.502 88 residues pruned to eliminate duplicates Z: 83 58.397 2.210 0.900 0.567 0.927 0.671 CB 1.552 84 residues pruned to eliminate duplicates Z: 17 31.088 2.088 0.810 0.896 1.000 0.812 CB 1.473 17 residues pruned to eliminate duplicates Z: 88 59.185 2.187 0.926 0.581 0.931 0.678 CB 1.496 88 residues pruned to eliminate duplicates Z: 43 35.537 2.140 0.750 0.616 0.881 0.643 CB 1.490 43 residues pruned to eliminate duplicates Z: 83 58.676 2.192 0.859 0.619 0.915 0.646 CB 1.554 83 residues pruned to eliminate duplicates Z: 132 74.488 2.209 0.881 0.577 0.924 0.634 CB 1.575 132 residues pruned to eliminate duplicates Z: 83 59.084 2.211 0.972 0.568 0.915 0.695 CB 1.532 83 residues pruned to eliminate duplicates Z: 14 40.644 2.367 0.977 0.893 1.000 0.923 CB 1.729 14 residues pruned to eliminate duplicates Z: 132 81.197 2.244 0.945 0.593 0.947 0.679 CB 1.571 132 residues pruned to eliminate duplicates Z: 132 72.282 2.214 0.861 0.576 0.939 0.664 CB 1.517 132 residues pruned to eliminate duplicates Z: 134 82.448 2.234 0.991 0.603 0.925 0.722 CB 1.576 134 residues pruned to eliminate duplicates Z: 60 44.184 2.146 0.850 0.581 0.898 0.695 CB 1.492 60 residues pruned to eliminate duplicates Z: 43 35.761 2.171 0.665 0.621 0.952 0.571 CB 1.430 43 residues pruned to eliminate duplicates Z: 10 21.550 2.222 0.578 0.878 0.889 0.667 CA 1.672 10 residues pruned to eliminate duplicates Z: 99 66.500 2.224 0.962 0.565 0.929 0.745 CB 1.556 99 residues pruned to eliminate duplicates Z: 89 54.308 2.180 0.873 0.547 0.898 0.670 CB 1.508 89 residues pruned to eliminate duplicates Z: 52 39.009 2.150 0.791 0.595 0.882 0.549 CB 1.469 52 residues pruned to eliminate duplicates Z: 84 58.043 2.183 0.993 0.582 0.880 0.639 CB 1.538 84 residues pruned to eliminate duplicates Z: 48 38.144 2.098 0.740 0.608 0.915 0.660 CB 1.503 48 residues pruned to eliminate duplicates Z: 58 40.110 2.155 0.769 0.552 0.912 0.719 CB 1.452 58 residues pruned to eliminate duplicates Z: 131 76.301 2.227 0.915 0.578 0.931 0.692 CB 1.564 131 residues pruned to eliminate duplicates Z: 44 38.291 2.092 0.785 0.620 0.930 0.651 CB 1.501 44 residues pruned to eliminate duplicates Z: 50 36.002 2.105 0.704 0.619 0.918 0.694 CB 1.396 50 residues pruned to eliminate duplicates Z: 89 52.907 2.161 0.796 0.577 0.898 0.659 CB 1.503 89 residues pruned to eliminate duplicates Z: 53 42.205 2.175 0.795 0.616 0.885 0.673 CB 1.519 53 residues pruned to eliminate duplicates Z: 85 55.501 2.157 0.854 0.571 0.917 0.667 CB 1.542 85 residues pruned to eliminate duplicates Z: 47 35.442 2.120 0.680 0.606 0.891 0.609 CB 1.487 47 residues pruned to eliminate duplicates Z: 25 23.506 1.884 0.823 0.549 0.917 0.708 CA 1.452 26 residues pruned to eliminate duplicates Z: 7 9.900 1.674 1.047 0.485 1.000 0.333 CA 1.198 7 residues pruned to eliminate duplicates Z: 13 10.785 1.747 0.755 0.451 0.833 0.500 CB 1.281 13 residues pruned to eliminate duplicates Z: 22 30.562 1.999 1.001 0.671 0.952 0.714 CB 1.495 23 residues pruned to eliminate duplicates 379 residues left after pruning, divided into chains as follows: A: 23 B: 168 C: 166 D: 22 CC for partial structure against native data = 43.15 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.461, Connect. = 0.694 for dens.mod. cycle 1 = 0.300, Contrast = 0.538, Connect. = 0.729 for dens.mod. cycle 2 = 0.300, Contrast = 0.649, Connect. = 0.761 for dens.mod. cycle 3 = 0.300, Contrast = 0.662, Connect. = 0.765 for dens.mod. cycle 4 = 0.300, Contrast = 0.675, Connect. = 0.767 for dens.mod. cycle 5 = 0.300, Contrast = 0.679, Connect. = 0.770 for dens.mod. cycle 6 = 0.300, Contrast = 0.684, Connect. = 0.771 for dens.mod. cycle 7 = 0.300, Contrast = 0.685, Connect. = 0.772 for dens.mod. cycle 8 = 0.300, Contrast = 0.687, Connect. = 0.772 for dens.mod. cycle 9 = 0.300, Contrast = 0.688, Connect. = 0.773 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2843 peaks > 0.5 sigma used to seed fragment search Space for about 535 unique residues taking solvent into account 619 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 17 42.884 2.371 1.050 0.766 0.938 0.500 CB 1.859 B: 17 34.755 2.231 0.901 0.778 0.938 0.562 CA 1.710 C: 17 35.638 2.376 0.701 0.813 0.938 0.625 CB 1.791 17 residues pruned to eliminate duplicates D: 18 36.687 2.292 0.911 0.794 0.882 0.647 CA 1.779 18 residues pruned to eliminate duplicates E: 16 29.727 2.167 0.926 0.877 1.000 0.733 CB 1.335 F: 16 32.365 2.365 0.792 0.792 0.867 0.600 CB 1.762 16 residues pruned to eliminate duplicates G: 17 34.891 2.355 0.783 0.768 0.938 0.438 CA 1.748 17 residues pruned to eliminate duplicates H: 16 40.622 2.378 1.079 0.825 0.867 0.867 CB 1.848 16 residues pruned to eliminate duplicates I: 23 22.649 2.233 0.535 0.498 0.909 0.591 CB 1.553 J: 18 41.450 2.317 0.978 0.816 1.000 0.706 CA 1.666 18 residues pruned to eliminate duplicates K: 17 45.336 2.417 0.945 0.840 1.000 0.750 CA 1.800 17 residues pruned to eliminate duplicates L: 15 38.209 2.299 1.022 0.877 1.000 0.857 CB 1.595 16 residues pruned to eliminate duplicates M: 13 25.045 2.309 0.650 0.849 0.917 0.667 CB 1.534 13 residues pruned to eliminate duplicates N: 15 37.248 2.315 0.887 0.890 1.000 0.857 CB 1.640 15 residues pruned to eliminate duplicates O: 25 22.154 2.003 0.374 0.609 0.917 0.583 CB 1.617 P: 86 54.949 2.200 0.771 0.593 0.929 0.671 CB 1.506 Q: 16 31.973 2.191 0.650 0.876 1.000 0.867 CA 1.660 15 residues pruned to eliminate duplicates R: 18 34.271 2.311 1.014 0.754 0.882 0.647 CA 1.614 18 residues pruned to eliminate duplicates S: 14 33.599 2.220 1.123 0.869 0.923 0.462 CB 1.564 14 residues pruned to eliminate duplicates T: 26 23.811 2.071 0.381 0.561 0.960 0.560 CB 1.635 26 residues pruned to eliminate duplicates U: 20 29.161 2.126 0.727 0.737 0.895 0.684 CA 1.647 20 residues pruned to eliminate duplicates V: 54 38.532 2.219 0.714 0.514 0.906 0.660 CB 1.515 54 residues pruned to eliminate duplicates W: 33 37.356 2.138 0.773 0.521 1.000 0.594 CB 1.706 25 residues pruned to eliminate duplicates X: 20 21.810 2.159 0.821 0.489 0.895 0.684 CB 1.438 14 residues pruned to eliminate duplicates Y: 84 56.366 2.277 0.720 0.602 0.892 0.687 CB 1.608 91 residues pruned to eliminate duplicates Z: 32 57.029 2.333 1.174 0.704 0.968 0.645 CB 1.733 17 residues pruned to eliminate duplicates Z: 81 62.040 2.265 0.880 0.571 0.913 0.650 CB 1.668 20 residues pruned to eliminate duplicates Z: 15 31.151 2.288 0.666 0.891 0.929 0.857 CB 1.691 15 residues pruned to eliminate duplicates Z: 16 26.918 2.177 0.477 0.861 1.000 0.800 CA 1.588 16 residues pruned to eliminate duplicates Z: 16 29.510 2.149 0.770 0.893 1.000 0.467 CB 1.439 16 residues pruned to eliminate duplicates Z: 19 27.307 2.210 0.544 0.772 0.889 0.667 CA 1.668 19 residues pruned to eliminate duplicates Z: 16 26.693 2.221 0.518 0.840 0.933 0.667 CA 1.634 16 residues pruned to eliminate duplicates Z: 70 50.502 2.196 0.938 0.529 0.928 0.739 CB 1.497 53 residues pruned to eliminate duplicates Z: 14 19.930 2.045 0.834 0.527 0.846 0.538 CB 1.696 14 residues pruned to eliminate duplicates Z: 16 28.865 2.191 0.649 0.858 0.933 0.467 CA 1.628 16 residues pruned to eliminate duplicates Z: 75 49.281 2.202 0.864 0.514 0.946 0.676 CB 1.455 75 residues pruned to eliminate duplicates Z: 36 33.860 2.163 0.673 0.528 0.971 0.771 CA 1.584 36 residues pruned to eliminate duplicates Z: 13 23.559 2.203 0.499 0.852 1.000 0.917 CB 1.522 13 residues pruned to eliminate duplicates Z: 84 63.730 2.233 0.909 0.572 0.940 0.663 CB 1.629 84 residues pruned to eliminate duplicates Z: 68 53.791 2.234 0.949 0.549 0.925 0.716 CB 1.555 68 residues pruned to eliminate duplicates Z: 15 35.211 2.394 0.773 0.821 0.929 0.786 CB 1.808 15 residues pruned to eliminate duplicates Z: 22 21.948 2.123 0.383 0.612 0.857 0.619 CB 1.711 22 residues pruned to eliminate duplicates Z: 10 12.962 1.874 1.029 0.396 0.889 0.444 CB 1.427 10 residues pruned to eliminate duplicates Z: 17 18.101 2.228 0.493 0.485 0.875 0.625 CB 1.579 17 residues pruned to eliminate duplicates Z: 25 21.789 2.032 0.457 0.510 0.917 0.458 CA 1.622 25 residues pruned to eliminate duplicates Z: 11 14.133 2.073 0.698 0.853 0.900 0.700 CB 1.043 11 residues pruned to eliminate duplicates Z: 15 39.008 2.352 1.097 0.850 0.857 0.429 CB 1.827 15 residues pruned to eliminate duplicates Z: 38 40.728 2.200 0.952 0.541 0.946 0.730 CB 1.583 38 residues pruned to eliminate duplicates Z: 86 54.450 2.208 0.858 0.563 0.906 0.671 CB 1.495 70 residues pruned to eliminate duplicates Z: 45 38.293 2.251 0.728 0.532 0.932 0.773 CB 1.544 40 residues pruned to eliminate duplicates Z: 33 31.670 2.163 0.698 0.496 0.938 0.469 CB 1.633 33 residues pruned to eliminate duplicates Z: 28 21.149 2.074 0.489 0.577 0.889 0.741 CB 1.376 28 residues pruned to eliminate duplicates Z: 9 3.906 1.633 0.042 0.617 0.750 0.625 CB 0.968 9 residues pruned to eliminate duplicates Z: 81 55.608 2.222 0.799 0.578 0.913 0.637 CB 1.581 81 residues pruned to eliminate duplicates Z: 67 51.010 2.288 0.812 0.536 0.909 0.712 CB 1.609 56 residues pruned to eliminate duplicates Z: 45 52.200 2.258 0.875 0.656 0.932 0.750 CB 1.726 45 residues pruned to eliminate duplicates Z: 18 28.887 2.172 0.683 0.792 0.941 0.706 CA 1.576 18 residues pruned to eliminate duplicates Z: 35 22.107 1.970 0.581 0.522 0.912 0.529 CB 1.307 23 residues pruned to eliminate duplicates Z: 7 12.061 1.969 0.240 0.818 1.000 0.833 C 1.530 7 residues pruned to eliminate duplicates Z: 24 19.762 1.929 0.566 0.549 1.000 0.609 CB 1.300 Z: 6 6.129 1.702 0.605 0.755 0.800 0.600 CA 0.999 6 residues pruned to eliminate duplicates Z: 40 19.610 1.935 0.412 0.464 0.923 0.615 CB 1.291 40 residues pruned to eliminate duplicates Z: 15 36.489 2.242 1.069 0.888 1.000 0.500 CB 1.515 15 residues pruned to eliminate duplicates Z: 49 48.144 2.251 0.979 0.507 0.958 0.729 CB 1.616 49 residues pruned to eliminate duplicates Z: 11 30.991 2.130 1.308 0.777 1.000 0.900 CA 1.561 12 residues pruned to eliminate duplicates Z: 30 24.554 1.971 0.889 0.466 0.931 0.690 CB 1.362 30 residues pruned to eliminate duplicates Z: 10 7.268 1.897 0.303 0.523 0.778 0.667 CA 1.231 10 residues pruned to eliminate duplicates Z: 17 39.715 2.370 0.954 0.744 0.938 0.562 CA 1.837 17 residues pruned to eliminate duplicates Z: 19 34.005 2.229 0.913 0.772 0.889 0.667 CB 1.662 19 residues pruned to eliminate duplicates Z: 16 27.785 2.305 0.394 0.788 0.933 0.733 CB 1.857 16 residues pruned to eliminate duplicates Z: 17 35.394 2.353 0.677 0.811 0.938 0.500 CB 1.824 17 residues pruned to eliminate duplicates Z: 16 21.061 2.199 0.692 0.511 0.867 0.733 CB 1.668 16 residues pruned to eliminate duplicates Z: 11 20.727 2.166 0.613 0.860 1.000 0.500 CA 1.379 16 residues pruned to eliminate duplicates Z: 51 28.580 2.078 0.604 0.591 0.840 0.640 CB 1.322 49 residues pruned to eliminate duplicates Z: 16 34.292 2.229 0.812 0.850 1.000 0.667 CA 1.624 16 residues pruned to eliminate duplicates Z: 18 28.598 2.355 0.533 0.552 0.941 0.706 CB 1.941 18 residues pruned to eliminate duplicates Z: 15 38.351 2.384 0.982 0.833 0.929 0.857 CB 1.753 15 residues pruned to eliminate duplicates Z: 44 43.646 2.271 0.778 0.536 0.953 0.721 CB 1.669 44 residues pruned to eliminate duplicates Z: 91 68.159 2.324 0.873 0.572 0.922 0.711 CB 1.669 91 residues pruned to eliminate duplicates Z: 10 18.656 2.161 0.618 0.862 0.889 0.667 CB 1.470 10 residues pruned to eliminate duplicates Z: 18 26.183 2.150 0.500 0.771 0.941 0.765 CB 1.646 18 residues pruned to eliminate duplicates Z: 12 25.517 2.280 0.990 0.648 0.909 0.818 CA 1.624 12 residues pruned to eliminate duplicates Z: 24 26.589 2.142 0.428 0.566 1.000 0.609 CB 1.700 24 residues pruned to eliminate duplicates Z: 30 25.118 2.093 0.523 0.552 0.931 0.586 CB 1.493 30 residues pruned to eliminate duplicates Z: 12 17.298 2.093 0.524 0.743 1.000 0.818 CB 1.316 12 residues pruned to eliminate duplicates Z: 10 18.323 2.128 0.712 0.811 0.889 0.333 CB 1.439 10 residues pruned to eliminate duplicates Z: 16 26.247 2.200 0.474 0.847 0.933 0.733 CA 1.663 16 residues pruned to eliminate duplicates Z: 22 28.702 2.023 0.832 0.664 0.952 0.714 CB 1.525 23 residues pruned to eliminate duplicates Z: 11 13.920 2.087 0.227 0.908 0.900 0.700 CA 1.357 11 residues pruned to eliminate duplicates Z: 82 56.697 2.194 0.844 0.581 0.926 0.667 CB 1.555 75 residues pruned to eliminate duplicates Z: 12 25.892 2.057 1.463 0.724 0.818 0.818 CA 1.538 12 residues pruned to eliminate duplicates Z: 32 39.918 2.241 0.976 0.543 0.935 0.742 CB 1.658 32 residues pruned to eliminate duplicates Z: 16 25.164 2.188 1.149 0.432 0.867 0.667 CB 1.710 16 residues pruned to eliminate duplicates Z: 95 64.277 2.289 0.809 0.589 0.915 0.638 CB 1.608 95 residues pruned to eliminate duplicates Z: 36 29.680 2.178 0.588 0.552 0.943 0.600 CB 1.462 36 residues pruned to eliminate duplicates Z: 11 14.212 1.862 0.424 0.855 0.900 0.700 CA 1.390 11 residues pruned to eliminate duplicates Z: 17 31.425 2.146 0.768 0.755 1.000 0.562 CA 1.650 16 residues pruned to eliminate duplicates Z: 13 28.123 2.337 0.734 0.873 0.917 0.833 CB 1.592 13 residues pruned to eliminate duplicates Z: 17 46.276 2.441 1.013 0.807 1.000 0.500 CA 1.802 17 residues pruned to eliminate duplicates Z: 14 17.532 2.183 0.724 0.370 0.923 0.462 CB 1.610 14 residues pruned to eliminate duplicates Z: 32 42.100 2.200 0.789 0.661 0.968 0.710 CB 1.710 32 residues pruned to eliminate duplicates Z: 11 13.667 1.944 0.151 0.813 1.000 0.800 CB 1.471 11 residues pruned to eliminate duplicates Z: 134 79.938 2.221 0.920 0.612 0.932 0.669 CB 1.568 130 residues pruned to eliminate duplicates Z: 44 22.650 1.969 0.464 0.520 0.907 0.512 CB 1.295 66 residues pruned to eliminate duplicates Z: 82 62.007 2.274 0.820 0.612 0.926 0.716 CB 1.617 82 residues pruned to eliminate duplicates Z: 44 40.697 2.222 0.716 0.632 0.930 0.674 CB 1.545 44 residues pruned to eliminate duplicates Z: 40 26.898 2.073 0.622 0.522 0.923 0.538 CB 1.359 40 residues pruned to eliminate duplicates Z: 17 24.846 2.097 0.568 0.850 0.938 0.625 CA 1.492 17 residues pruned to eliminate duplicates Z: 45 57.101 2.275 1.013 0.646 0.955 0.682 CB 1.718 45 residues pruned to eliminate duplicates Z: 46 53.253 2.344 0.927 0.595 0.933 0.600 CB 1.720 46 residues pruned to eliminate duplicates Z: 19 31.340 2.200 0.788 0.743 0.889 0.667 CB 1.699 19 residues pruned to eliminate duplicates Z: 12 15.793 1.848 0.758 0.802 1.000 0.727 CB 1.126 12 residues pruned to eliminate duplicates Z: 17 24.056 2.174 0.890 0.495 0.938 0.625 CB 1.568 17 residues pruned to eliminate duplicates Z: 32 31.983 2.149 0.731 0.495 0.968 0.581 CB 1.603 32 residues pruned to eliminate duplicates Z: 10 15.604 1.938 0.256 0.904 1.000 0.778 CB 1.522 10 residues pruned to eliminate duplicates Z: 11 20.898 1.986 0.811 0.905 1.000 0.600 CB 1.307 11 residues pruned to eliminate duplicates Z: 15 28.677 2.336 0.427 0.818 1.000 0.714 CB 1.743 15 residues pruned to eliminate duplicates Z: 11 14.655 1.912 0.554 0.768 0.900 0.700 CB 1.367 11 residues pruned to eliminate duplicates Z: 47 51.106 2.253 0.944 0.627 0.891 0.717 CB 1.713 47 residues pruned to eliminate duplicates Z: 10 21.958 2.193 0.456 0.875 1.000 0.778 CA 1.667 10 residues pruned to eliminate duplicates Z: 75 57.115 2.191 0.967 0.568 0.946 0.649 CB 1.525 75 residues pruned to eliminate duplicates Z: 10 19.697 2.155 0.615 0.884 1.000 0.889 CB 1.363 10 residues pruned to eliminate duplicates Z: 8 16.033 2.119 0.336 0.866 1.000 0.857 CB 1.568 8 residues pruned to eliminate duplicates Z: 14 7.554 1.810 0.581 0.186 0.769 0.308 CB 1.386 14 residues pruned to eliminate duplicates Z: 17 21.996 2.222 0.794 0.516 0.875 0.625 CB 1.551 17 residues pruned to eliminate duplicates Z: 11 16.787 1.899 0.381 0.839 1.000 0.800 CA 1.512 11 residues pruned to eliminate duplicates Z: 12 15.301 1.944 0.599 0.864 0.818 0.727 CB 1.330 12 residues pruned to eliminate duplicates Z: 16 22.965 2.065 0.512 0.878 0.933 0.933 CB 1.476 16 residues pruned to eliminate duplicates Z: 32 43.649 2.248 1.131 0.558 0.935 0.677 CB 1.654 32 residues pruned to eliminate duplicates Z: 95 66.148 2.284 0.782 0.606 0.936 0.734 CB 1.619 95 residues pruned to eliminate duplicates Z: 22 20.822 1.970 0.589 0.488 0.952 0.524 CA 1.543 22 residues pruned to eliminate duplicates Z: 73 56.815 2.222 0.976 0.565 0.944 0.694 CB 1.516 73 residues pruned to eliminate duplicates Z: 80 64.094 2.278 0.892 0.576 0.949 0.734 CB 1.639 80 residues pruned to eliminate duplicates Z: 12 15.413 1.930 0.415 0.853 0.909 0.818 CB 1.384 12 residues pruned to eliminate duplicates Z: 38 27.362 2.105 0.554 0.520 0.946 0.595 CB 1.426 40 residues pruned to eliminate duplicates Z: 83 56.081 2.242 0.766 0.586 0.902 0.683 CB 1.596 83 residues pruned to eliminate duplicates Z: 17 17.377 2.125 0.909 0.419 0.750 0.562 CB 1.555 17 residues pruned to eliminate duplicates Z: 19 28.870 2.210 0.869 0.764 0.778 0.444 CA 1.676 19 residues pruned to eliminate duplicates Z: 20 15.064 1.818 0.631 0.604 0.842 0.684 CB 1.253 20 residues pruned to eliminate duplicates Z: 14 13.079 2.008 0.854 0.388 0.846 0.538 CB 1.297 14 residues pruned to eliminate duplicates Z: 16 31.071 2.210 0.708 0.849 1.000 0.667 CA 1.575 16 residues pruned to eliminate duplicates Z: 33 28.628 2.129 0.580 0.478 0.969 0.562 CB 1.588 33 residues pruned to eliminate duplicates Z: 16 30.884 2.186 0.721 0.871 0.933 0.733 CB 1.657 16 residues pruned to eliminate duplicates Z: 58 42.879 2.201 0.766 0.512 0.947 0.614 CB 1.524 58 residues pruned to eliminate duplicates Z: 106 59.040 2.194 0.836 0.559 0.886 0.676 CB 1.526 106 residues pruned to eliminate duplicates Z: 50 50.051 2.238 0.934 0.605 0.918 0.571 CB 1.628 50 residues pruned to eliminate duplicates Z: 23 26.114 2.003 0.868 0.611 0.909 0.727 CB 1.473 Z: 52 43.430 2.179 1.015 0.477 0.902 0.706 CB 1.573 52 residues pruned to eliminate duplicates Z: 128 82.497 2.290 0.876 0.601 0.937 0.693 CB 1.652 128 residues pruned to eliminate duplicates Z: 12 22.410 2.036 1.295 0.480 0.909 0.727 CB 1.622 12 residues pruned to eliminate duplicates Z: 45 53.026 2.289 0.841 0.628 0.955 0.682 CB 1.762 45 residues pruned to eliminate duplicates Z: 33 21.049 2.064 0.515 0.433 0.844 0.594 CB 1.512 33 residues pruned to eliminate duplicates Z: 23 24.783 2.161 0.413 0.606 0.909 0.727 CB 1.722 23 residues pruned to eliminate duplicates Z: 12 25.505 2.088 1.464 0.714 0.818 0.818 CA 1.505 12 residues pruned to eliminate duplicates Z: 10 17.996 2.113 0.543 0.906 1.000 0.889 CB 1.309 10 residues pruned to eliminate duplicates Z: 17 47.420 2.403 1.026 0.828 1.000 0.812 CA 1.834 17 residues pruned to eliminate duplicates Z: 24 24.693 1.955 0.832 0.617 0.870 0.696 CB 1.481 24 residues pruned to eliminate duplicates Z: 89 53.616 2.181 0.811 0.553 0.920 0.693 CB 1.492 89 residues pruned to eliminate duplicates Z: 22 23.835 1.998 0.638 0.622 0.952 0.667 CB 1.488 22 residues pruned to eliminate duplicates Z: 91 70.448 2.258 0.931 0.591 0.933 0.756 CB 1.672 91 residues pruned to eliminate duplicates Z: 13 7.985 1.858 0.257 0.604 0.750 0.500 CB 1.192 13 residues pruned to eliminate duplicates Z: 23 26.456 1.955 0.823 0.626 0.955 0.773 CA 1.472 23 residues pruned to eliminate duplicates Z: 95 70.982 2.285 0.951 0.543 0.947 0.617 CB 1.664 95 residues pruned to eliminate duplicates Z: 11 13.347 2.124 0.901 0.372 0.700 0.300 CA 1.711 11 residues pruned to eliminate duplicates Z: 44 45.886 2.211 1.040 0.573 0.907 0.698 CB 1.594 44 residues pruned to eliminate duplicates Z: 45 58.744 2.364 1.059 0.630 0.932 0.705 CB 1.727 45 residues pruned to eliminate duplicates Z: 33 52.654 2.347 0.857 0.693 1.000 0.719 CA 1.790 33 residues pruned to eliminate duplicates Z: 85 60.902 2.202 0.919 0.587 0.905 0.690 CB 1.598 86 residues pruned to eliminate duplicates Z: 15 35.077 2.336 0.813 0.821 1.000 0.500 CB 1.676 15 residues pruned to eliminate duplicates Z: 15 38.521 2.349 0.867 0.880 1.000 0.643 CA 1.701 15 residues pruned to eliminate duplicates Z: 33 48.114 2.326 0.944 0.644 0.938 0.656 CA 1.754 33 residues pruned to eliminate duplicates Z: 12 20.429 2.173 0.993 0.385 0.909 0.636 CB 1.769 12 residues pruned to eliminate duplicates Z: 6 6.024 1.704 0.382 0.733 1.000 0.400 CA 0.928 6 residues pruned to eliminate duplicates Z: 10 20.479 2.155 0.481 0.882 1.000 0.889 CA 1.547 10 residues pruned to eliminate duplicates Z: 131 71.555 2.187 0.876 0.594 0.923 0.677 CB 1.515 131 residues pruned to eliminate duplicates Z: 17 29.369 2.217 0.506 0.829 1.000 0.812 CA 1.654 17 residues pruned to eliminate duplicates Z: 14 32.541 2.350 0.798 0.901 0.923 0.923 CB 1.652 14 residues pruned to eliminate duplicates Z: 22 23.586 1.966 0.744 0.613 0.952 0.667 CA 1.416 Z: 130 78.537 2.258 0.878 0.601 0.938 0.667 CB 1.579 130 residues pruned to eliminate duplicates Z: 24 25.051 2.036 0.502 0.543 1.000 0.565 CA 1.638 24 residues pruned to eliminate duplicates Z: 39 29.521 2.133 0.633 0.475 0.947 0.553 CB 1.489 39 residues pruned to eliminate duplicates Z: 6 10.257 1.983 0.070 0.876 1.000 0.600 C 1.572 6 residues pruned to eliminate duplicates Z: 10 16.860 2.169 0.421 0.872 0.889 0.556 CB 1.495 10 residues pruned to eliminate duplicates Z: 34 25.696 2.171 0.836 0.346 0.848 0.394 CB 1.562 34 residues pruned to eliminate duplicates Z: 11 17.226 1.927 0.470 0.841 0.900 0.900 CB 1.593 11 residues pruned to eliminate duplicates Z: 22 28.018 1.991 0.863 0.666 0.952 0.762 CA 1.484 23 residues pruned to eliminate duplicates Z: 6 6.471 1.733 -0.020 0.746 1.000 0.800 CA 1.368 6 residues pruned to eliminate duplicates Z: 10 24.650 2.143 0.693 0.905 1.000 0.667 CA 1.612 10 residues pruned to eliminate duplicates Z: 19 39.414 2.236 0.896 0.794 1.000 0.667 CA 1.693 19 residues pruned to eliminate duplicates Z: 23 26.666 1.985 0.827 0.588 1.000 0.727 CB 1.441 23 residues pruned to eliminate duplicates Z: 95 66.116 2.289 0.836 0.584 0.936 0.638 CB 1.599 95 residues pruned to eliminate duplicates Z: 34 30.629 2.221 0.576 0.517 0.970 0.576 CB 1.544 34 residues pruned to eliminate duplicates Z: 85 52.322 2.186 0.829 0.547 0.893 0.690 CB 1.527 85 residues pruned to eliminate duplicates Z: 17 36.565 2.285 0.911 0.822 0.938 0.688 CB 1.689 17 residues pruned to eliminate duplicates Z: 32 17.409 1.939 0.442 0.490 0.903 0.613 CB 1.251 32 residues pruned to eliminate duplicates Z: 24 22.392 1.925 0.798 0.579 0.913 0.739 CB 1.370 24 residues pruned to eliminate duplicates Z: 13 18.416 2.017 1.048 0.436 0.917 0.667 CB 1.501 13 residues pruned to eliminate duplicates Z: 11 22.752 2.028 0.676 0.915 1.000 0.700 CA 1.496 11 residues pruned to eliminate duplicates Z: 39 38.474 2.194 0.770 0.613 0.895 0.605 CB 1.613 39 residues pruned to eliminate duplicates Z: 12 15.810 1.937 0.533 0.867 0.909 0.727 CB 1.292 12 residues pruned to eliminate duplicates Z: 11 13.522 2.112 0.825 0.417 0.800 0.600 CA 1.513 11 residues pruned to eliminate duplicates Z: 23 20.566 1.902 0.881 0.593 0.909 0.682 CB 1.233 23 residues pruned to eliminate duplicates Z: 16 30.481 2.193 0.747 0.849 0.933 0.733 CA 1.631 16 residues pruned to eliminate duplicates Z: 12 17.553 2.046 0.580 0.620 1.000 0.909 CB 1.462 12 residues pruned to eliminate duplicates Z: 10 5.891 1.867 0.506 0.310 0.667 0.333 CA 1.294 10 residues pruned to eliminate duplicates Z: 83 68.103 2.203 0.990 0.599 0.976 0.707 CB 1.601 83 residues pruned to eliminate duplicates Z: 37 35.420 2.168 0.913 0.534 0.917 0.694 CB 1.502 37 residues pruned to eliminate duplicates Z: 23 23.803 1.970 0.688 0.642 0.955 0.727 CB 1.400 22 residues pruned to eliminate duplicates Z: 11 14.855 1.998 0.766 0.385 0.900 0.700 C 1.671 11 residues pruned to eliminate duplicates Z: 86 58.287 2.236 0.886 0.531 0.941 0.753 CB 1.545 86 residues pruned to eliminate duplicates Z: 7 9.720 1.889 0.436 0.786 0.833 0.500 CB 1.366 7 residues pruned to eliminate duplicates Z: 11 8.508 2.092 0.124 0.399 0.800 0.800 CB 1.590 11 residues pruned to eliminate duplicates Z: 11 12.060 2.081 0.695 0.852 0.700 0.700 CB 1.143 11 residues pruned to eliminate duplicates Z: 55 37.109 2.229 0.621 0.575 0.889 0.556 CB 1.462 55 residues pruned to eliminate duplicates Z: 46 51.181 2.218 0.864 0.659 0.956 0.622 CB 1.666 46 residues pruned to eliminate duplicates Z: 8 8.727 1.778 0.507 0.711 0.714 0.714 CB 1.422 8 residues pruned to eliminate duplicates Z: 19 41.111 2.208 1.065 0.831 0.944 0.667 CA 1.690 19 residues pruned to eliminate duplicates Z: 129 80.418 2.285 0.828 0.601 0.938 0.656 CB 1.649 129 residues pruned to eliminate duplicates Z: 33 42.372 2.205 0.710 0.701 0.969 0.688 CB 1.708 33 residues pruned to eliminate duplicates Z: 16 32.490 2.236 0.647 0.852 1.000 0.600 CA 1.685 16 residues pruned to eliminate duplicates Z: 34 33.062 2.124 0.746 0.554 0.879 0.576 CB 1.676 34 residues pruned to eliminate duplicates Z: 64 45.398 2.175 0.808 0.588 0.921 0.619 CB 1.452 64 residues pruned to eliminate duplicates Z: 60 46.101 2.222 0.772 0.624 0.898 0.695 CB 1.510 60 residues pruned to eliminate duplicates Z: 47 40.293 2.230 0.984 0.480 0.913 0.717 CB 1.500 47 residues pruned to eliminate duplicates Z: 51 43.476 2.277 0.686 0.624 0.940 0.700 CB 1.515 51 residues pruned to eliminate duplicates Z: 47 45.294 2.237 0.806 0.617 0.935 0.630 CB 1.584 47 residues pruned to eliminate duplicates Z: 131 75.051 2.235 0.852 0.585 0.923 0.692 CB 1.588 131 residues pruned to eliminate duplicates Z: 81 66.298 2.269 0.951 0.582 0.925 0.762 CB 1.673 81 residues pruned to eliminate duplicates Z: 45 61.686 2.334 1.081 0.648 0.955 0.659 CB 1.747 45 residues pruned to eliminate duplicates Z: 44 55.059 2.353 0.913 0.613 0.953 0.721 CB 1.758 44 residues pruned to eliminate duplicates Z: 25 23.328 1.876 0.728 0.606 1.000 0.667 CB 1.328 23 residues pruned to eliminate duplicates Z: 12 24.446 2.177 0.704 0.819 0.909 0.818 CB 1.656 12 residues pruned to eliminate duplicates Z: 9 7.379 1.732 0.256 0.616 0.875 0.500 CB 1.228 9 residues pruned to eliminate duplicates Z: 17 34.098 2.230 0.735 0.815 1.000 0.750 CB 1.676 17 residues pruned to eliminate duplicates Z: 34 49.843 2.282 0.947 0.694 0.939 0.606 CB 1.740 34 residues pruned to eliminate duplicates Z: 17 26.991 2.083 0.744 0.805 0.938 0.750 CA 1.518 17 residues pruned to eliminate duplicates Z: 108 69.642 2.235 0.923 0.557 0.916 0.645 CB 1.618 108 residues pruned to eliminate duplicates Z: 13 25.837 2.291 0.607 0.869 1.000 0.833 CB 1.480 13 residues pruned to eliminate duplicates Z: 132 76.811 2.238 0.863 0.582 0.939 0.710 CB 1.584 132 residues pruned to eliminate duplicates Z: 59 44.738 2.154 0.913 0.515 0.948 0.759 CB 1.481 59 residues pruned to eliminate duplicates Z: 17 35.624 2.340 0.829 0.777 0.938 0.625 CA 1.739 17 residues pruned to eliminate duplicates Z: 14 14.891 1.824 0.445 0.797 0.846 0.615 CB 1.427 14 residues pruned to eliminate duplicates Z: 17 35.986 2.226 0.984 0.857 0.938 0.812 CA 1.601 17 residues pruned to eliminate duplicates Z: 16 27.298 2.084 0.687 0.915 0.933 0.800 CB 1.519 16 residues pruned to eliminate duplicates Z: 15 21.602 2.202 0.366 0.835 0.857 0.714 CB 1.678 15 residues pruned to eliminate duplicates Z: 15 32.393 2.353 0.768 0.822 0.929 0.571 CB 1.695 15 residues pruned to eliminate duplicates Z: 24 24.212 1.887 0.718 0.624 1.000 0.870 CB 1.386 24 residues pruned to eliminate duplicates Z: 6 3.715 1.871 -0.319 0.765 0.800 0.600 CB 1.288 Z: 25 15.472 1.809 0.739 0.520 0.875 0.708 CB 1.125 25 residues pruned to eliminate duplicates Z: 7 9.306 1.774 0.378 0.821 1.000 0.667 CA 1.177 7 residues pruned to eliminate duplicates Z: 15 14.101 1.839 0.340 0.810 0.857 0.571 CB 1.363 15 residues pruned to eliminate duplicates Z: 78 51.780 2.158 0.752 0.603 0.922 0.662 CB 1.534 78 residues pruned to eliminate duplicates Z: 15 24.725 2.115 0.658 0.891 0.929 0.357 CB 1.459 15 residues pruned to eliminate duplicates Z: 12 22.510 2.006 0.741 0.864 0.909 0.636 CB 1.567 12 residues pruned to eliminate duplicates Z: 14 23.769 2.195 0.623 0.855 1.000 0.538 CB 1.365 14 residues pruned to eliminate duplicates Z: 12 9.329 1.814 0.479 0.477 0.818 0.455 CA 1.312 12 residues pruned to eliminate duplicates Z: 36 35.223 2.182 0.745 0.561 1.000 0.629 CB 1.474 40 residues pruned to eliminate duplicates Z: 87 54.282 2.190 0.827 0.564 0.895 0.640 CB 1.536 87 residues pruned to eliminate duplicates Z: 88 52.439 2.185 0.686 0.563 0.931 0.609 CB 1.542 88 residues pruned to eliminate duplicates Z: 6 9.872 1.952 0.508 0.800 1.000 0.600 CA 1.153 6 residues pruned to eliminate duplicates Z: 32 33.035 2.240 0.918 0.479 0.871 0.613 CB 1.619 32 residues pruned to eliminate duplicates Z: 24 25.193 1.942 0.839 0.611 0.957 0.696 CB 1.384 25 residues pruned to eliminate duplicates Z: 20 22.499 2.089 1.015 0.403 0.947 0.579 CB 1.433 20 residues pruned to eliminate duplicates Z: 15 11.913 1.935 0.337 0.549 0.857 0.571 CB 1.370 15 residues pruned to eliminate duplicates Z: 32 26.091 2.205 0.567 0.513 0.871 0.613 CB 1.538 32 residues pruned to eliminate duplicates Z: 10 16.354 2.019 0.506 0.869 1.000 0.778 CB 1.309 10 residues pruned to eliminate duplicates Z: 12 14.970 1.816 0.363 0.879 0.909 0.818 CB 1.454 12 residues pruned to eliminate duplicates Z: 12 19.193 1.988 0.888 0.635 0.909 0.818 CA 1.495 12 residues pruned to eliminate duplicates Z: 132 72.520 2.227 0.821 0.561 0.916 0.641 CB 1.609 132 residues pruned to eliminate duplicates Z: 33 36.276 2.145 0.718 0.565 0.969 0.719 CB 1.687 33 residues pruned to eliminate duplicates Z: 17 38.827 2.443 0.667 0.834 1.000 0.812 CA 1.787 17 residues pruned to eliminate duplicates Z: 12 18.935 1.980 0.875 0.651 0.909 0.818 CB 1.470 12 residues pruned to eliminate duplicates Z: 56 29.682 2.108 0.645 0.513 0.891 0.527 CB 1.278 56 residues pruned to eliminate duplicates Z: 21 25.319 2.141 0.819 0.493 0.950 0.750 CB 1.541 21 residues pruned to eliminate duplicates Z: 25 19.778 1.843 0.694 0.539 0.958 0.667 CB 1.299 25 residues pruned to eliminate duplicates Z: 11 27.378 2.033 1.582 0.761 0.900 0.900 CB 1.453 11 residues pruned to eliminate duplicates Z: 128 85.077 2.298 0.890 0.631 0.937 0.701 CB 1.640 128 residues pruned to eliminate duplicates Z: 16 36.822 2.346 0.764 0.827 1.000 0.733 CB 1.732 16 residues pruned to eliminate duplicates Z: 26 18.159 1.863 0.756 0.579 0.840 0.720 CB 1.225 26 residues pruned to eliminate duplicates Z: 81 61.642 2.246 0.803 0.606 0.963 0.688 CB 1.599 81 residues pruned to eliminate duplicates Z: 31 41.756 2.280 0.912 0.627 0.933 0.667 CB 1.663 31 residues pruned to eliminate duplicates Z: 38 37.355 2.149 0.909 0.518 0.946 0.676 CB 1.555 38 residues pruned to eliminate duplicates Z: 24 21.360 1.926 0.646 0.616 0.913 0.652 CB 1.379 24 residues pruned to eliminate duplicates Z: 19 32.204 2.310 0.672 0.726 0.944 0.833 CB 1.697 19 residues pruned to eliminate duplicates Z: 96 64.860 2.270 0.824 0.582 0.916 0.653 CB 1.621 96 residues pruned to eliminate duplicates Z: 80 68.273 2.311 0.922 0.595 0.924 0.696 CB 1.710 80 residues pruned to eliminate duplicates Z: 100 58.577 2.199 0.873 0.571 0.909 0.677 CB 1.468 100 residues pruned to eliminate duplicates Z: 16 29.504 2.189 0.831 0.621 1.000 0.800 CA 1.695 16 residues pruned to eliminate duplicates Z: 19 27.292 2.161 0.831 0.794 0.833 0.611 CA 1.508 19 residues pruned to eliminate duplicates Z: 14 17.881 1.888 0.838 0.660 0.923 0.769 CA 1.334 15 residues pruned to eliminate duplicates Z: 47 61.010 2.324 1.023 0.633 0.978 0.609 CB 1.727 47 residues pruned to eliminate duplicates Z: 23 19.676 1.866 0.891 0.620 0.818 0.773 CB 1.298 23 residues pruned to eliminate duplicates Z: 12 9.833 1.774 0.568 0.508 0.909 0.636 CB 1.164 12 residues pruned to eliminate duplicates Z: 6 3.365 1.582 0.358 0.740 0.800 0.600 CB 0.706 Z: 16 41.321 2.327 0.911 0.831 1.000 0.867 CA 1.803 16 residues pruned to eliminate duplicates Z: 24 17.831 1.814 0.793 0.585 0.913 0.783 CB 1.154 24 residues pruned to eliminate duplicates Z: 21 17.751 1.820 0.923 0.628 0.850 0.750 CB 1.183 20 residues pruned to eliminate duplicates Z: 25 17.566 2.053 0.605 0.502 0.833 0.542 CB 1.303 25 residues pruned to eliminate duplicates Z: 7 10.705 1.936 0.494 0.694 1.000 0.333 CA 1.265 7 residues pruned to eliminate duplicates Z: 79 55.835 2.265 0.745 0.589 0.936 0.705 CB 1.570 79 residues pruned to eliminate duplicates Z: 32 39.127 2.211 1.045 0.584 0.903 0.742 CB 1.587 32 residues pruned to eliminate duplicates 6 1.465 1.454 -0.246 0.773 1.000 0.800 CB 0.470 ? Z: 25 22.688 1.877 0.820 0.609 0.958 0.708 CB 1.275 25 residues pruned to eliminate duplicates Z: 10 16.161 2.060 0.622 0.901 1.000 1.000 CB 1.151 10 residues pruned to eliminate duplicates Z: 6 16.161 2.089 0.559 0.878 1.000 0.600 CA 1.611 6 residues pruned to eliminate duplicates Z: 28 19.655 1.959 0.700 0.389 0.889 0.519 CB 1.437 28 residues pruned to eliminate duplicates Z: 18 21.784 2.056 1.029 0.530 0.882 0.588 CB 1.393 18 residues pruned to eliminate duplicates Z: 49 54.486 2.341 0.957 0.585 0.896 0.604 CB 1.767 49 residues pruned to eliminate duplicates Z: 115 75.602 2.213 0.994 0.590 0.947 0.702 CB 1.553 115 residues pruned to eliminate duplicates Z: 7 10.831 2.006 0.281 0.889 1.000 0.833 CA 1.239 7 residues pruned to eliminate duplicates Z: 50 32.057 2.086 0.672 0.578 0.857 0.531 CB 1.420 50 residues pruned to eliminate duplicates Z: 39 38.356 2.172 0.840 0.520 0.947 0.763 CB 1.611 39 residues pruned to eliminate duplicates Z: 12 16.830 1.974 0.390 0.817 0.909 0.636 CB 1.544 12 residues pruned to eliminate duplicates Z: 29 36.849 2.316 1.099 0.483 0.857 0.536 CB 1.701 29 residues pruned to eliminate duplicates Z: 52 35.040 2.130 0.582 0.636 0.902 0.667 CB 1.421 52 residues pruned to eliminate duplicates Z: 7 5.145 1.907 -0.087 0.583 0.833 0.667 CA 1.337 7 residues pruned to eliminate duplicates Z: 33 54.594 2.314 1.103 0.707 0.969 0.688 CB 1.696 33 residues pruned to eliminate duplicates Z: 13 13.697 1.875 0.401 0.821 0.917 0.667 CB 1.243 13 residues pruned to eliminate duplicates Z: 6 2.371 1.511 -0.183 0.305 1.000 0.400 C 1.068 Z: 56 37.523 2.163 0.697 0.559 0.891 0.527 CB 1.461 56 residues pruned to eliminate duplicates Z: 22 29.698 2.020 0.873 0.543 1.000 0.667 CB 1.642 22 residues pruned to eliminate duplicates Z: 25 17.489 1.777 0.775 0.569 0.917 0.792 CB 1.156 25 residues pruned to eliminate duplicates Z: 80 55.169 2.196 0.869 0.585 0.924 0.709 CB 1.509 80 residues pruned to eliminate duplicates Z: 10 12.733 1.870 0.786 0.583 1.000 0.778 CA 1.174 10 residues pruned to eliminate duplicates Z: 51 40.757 2.196 0.932 0.452 0.860 0.600 CB 1.659 51 residues pruned to eliminate duplicates Z: 29 20.735 2.034 0.492 0.530 0.929 0.571 CB 1.350 29 residues pruned to eliminate duplicates Z: 11 4.580 1.697 0.410 0.365 0.600 0.300 CB 1.167 11 residues pruned to eliminate duplicates Z: 78 62.472 2.235 0.901 0.614 0.961 0.766 CB 1.565 78 residues pruned to eliminate duplicates Z: 28 32.889 2.237 0.710 0.635 0.889 0.704 CB 1.639 28 residues pruned to eliminate duplicates Z: 11 13.947 2.046 0.284 0.813 0.900 0.500 CA 1.421 11 residues pruned to eliminate duplicates Z: 20 29.888 2.034 0.726 0.772 0.947 0.579 CB 1.621 20 residues pruned to eliminate duplicates Z: 24 23.315 2.161 0.485 0.481 0.957 0.609 CB 1.614 24 residues pruned to eliminate duplicates Z: 6 5.814 1.444 0.248 0.802 1.000 0.600 N 1.108 Z: 55 37.916 2.175 0.715 0.570 0.870 0.593 CB 1.486 55 residues pruned to eliminate duplicates Z: 7 12.183 2.074 0.164 0.891 1.000 1.000 CB 1.481 7 residues pruned to eliminate duplicates Z: 14 4.996 1.381 0.539 0.324 0.846 0.462 CB 0.935 12 residues pruned to eliminate duplicates Z: 37 32.879 2.160 0.590 0.535 0.972 0.722 CB 1.587 37 residues pruned to eliminate duplicates Z: 82 56.279 2.228 0.721 0.587 0.963 0.593 CB 1.558 82 residues pruned to eliminate duplicates Z: 46 50.821 2.285 1.040 0.530 0.978 0.800 CB 1.614 46 residues pruned to eliminate duplicates Z: 56 37.070 2.156 0.777 0.572 0.855 0.564 CB 1.424 56 residues pruned to eliminate duplicates Z: 13 17.674 2.111 0.786 0.607 0.833 0.750 CB 1.468 13 residues pruned to eliminate duplicates Z: 30 25.982 2.169 0.665 0.509 0.897 0.552 CB 1.476 30 residues pruned to eliminate duplicates Z: 25 15.230 1.874 0.507 0.503 0.792 0.375 CB 1.388 25 residues pruned to eliminate duplicates Z: 33 38.811 2.202 0.838 0.602 0.938 0.625 CB 1.641 35 residues pruned to eliminate duplicates Z: 65 40.777 2.105 0.756 0.574 0.875 0.672 CB 1.468 65 residues pruned to eliminate duplicates Z: 12 11.639 1.810 0.404 0.850 1.000 0.818 CB 1.023 12 residues pruned to eliminate duplicates Z: 41 37.541 2.180 0.782 0.611 0.900 0.600 CB 1.528 41 residues pruned to eliminate duplicates Z: 22 19.456 1.875 0.801 0.609 0.857 0.714 CA 1.323 22 residues pruned to eliminate duplicates Z: 25 24.813 2.281 0.498 0.538 0.917 0.500 CB 1.557 25 residues pruned to eliminate duplicates Z: 17 32.564 2.411 0.479 0.831 1.000 0.750 CA 1.715 17 residues pruned to eliminate duplicates Z: 15 32.082 2.258 0.772 0.879 1.000 0.786 CB 1.554 15 residues pruned to eliminate duplicates Z: 50 48.206 2.243 0.820 0.599 0.939 0.653 CB 1.636 50 residues pruned to eliminate duplicates Z: 24 12.917 1.814 0.358 0.433 0.957 0.435 CB 1.225 24 residues pruned to eliminate duplicates Z: 64 49.786 2.201 0.810 0.535 0.952 0.667 CB 1.597 64 residues pruned to eliminate duplicates Z: 95 60.416 2.210 0.838 0.566 0.936 0.660 CB 1.538 95 residues pruned to eliminate duplicates Z: 27 25.319 2.163 0.523 0.590 0.962 0.577 CB 1.439 27 residues pruned to eliminate duplicates Z: 12 7.374 1.698 0.479 0.398 0.818 0.636 CA 1.204 12 residues pruned to eliminate duplicates Z: 9 3.834 1.614 0.055 0.433 0.625 0.250 CB 1.365 9 residues pruned to eliminate duplicates Z: 10 19.509 2.096 0.618 0.877 1.000 0.889 CA 1.393 10 residues pruned to eliminate duplicates Z: 80 72.839 2.291 1.025 0.598 0.962 0.772 CB 1.673 80 residues pruned to eliminate duplicates Z: 53 52.739 2.178 1.073 0.597 0.962 0.788 CB 1.535 53 residues pruned to eliminate duplicates Z: 6 4.785 1.459 0.359 0.487 1.000 0.600 CB 1.094 Z: 7 3.976 1.612 0.442 0.536 1.000 0.333 CB 0.674 Z: 50 47.077 2.216 0.992 0.603 0.898 0.612 CB 1.538 50 residues pruned to eliminate duplicates Z: 35 31.411 2.173 0.591 0.551 0.971 0.500 CB 1.528 35 residues pruned to eliminate duplicates Z: 13 15.765 1.810 0.493 0.850 0.917 0.417 CB 1.362 13 residues pruned to eliminate duplicates Z: 22 28.838 2.006 0.936 0.658 0.952 0.714 CB 1.470 23 residues pruned to eliminate duplicates Z: 65 48.103 2.195 1.045 0.459 0.859 0.594 CB 1.626 65 residues pruned to eliminate duplicates Z: 42 41.367 2.155 0.988 0.532 0.951 0.780 CB 1.537 42 residues pruned to eliminate duplicates Z: 54 41.402 2.233 0.834 0.486 0.906 0.623 CB 1.556 54 residues pruned to eliminate duplicates Z: 29 28.885 2.062 0.670 0.629 0.964 0.643 CB 1.455 29 residues pruned to eliminate duplicates Z: 38 36.064 2.216 0.668 0.646 0.892 0.649 CB 1.570 38 residues pruned to eliminate duplicates Z: 17 28.244 2.000 0.788 0.820 1.000 0.500 CB 1.496 17 residues pruned to eliminate duplicates Z: 12 11.260 1.808 0.571 0.598 0.818 0.727 CB 1.331 12 residues pruned to eliminate duplicates 6 1.572 1.266 -0.262 0.381 1.000 0.200 CB 0.853 ? Z: 48 45.735 2.195 1.011 0.537 0.936 0.745 CB 1.557 48 residues pruned to eliminate duplicates Z: 14 20.969 2.248 0.393 0.766 0.923 0.538 CB 1.589 14 residues pruned to eliminate duplicates Z: 10 21.451 1.972 1.074 0.669 1.000 0.889 CA 1.495 10 residues pruned to eliminate duplicates Z: 11 7.234 1.776 0.185 0.553 0.900 0.500 CB 1.147 11 residues pruned to eliminate duplicates Z: 14 31.265 2.303 0.875 0.838 1.000 0.769 CB 1.501 14 residues pruned to eliminate duplicates Z: 13 22.944 2.236 0.294 0.922 1.000 0.917 CA 1.609 13 residues pruned to eliminate duplicates Z: 18 10.492 1.954 0.350 0.534 0.765 0.294 CB 1.220 18 residues pruned to eliminate duplicates Z: 23 26.281 2.005 0.927 0.615 0.909 0.727 CB 1.431 23 residues pruned to eliminate duplicates Z: 8 8.721 1.721 0.696 0.617 1.000 0.714 CA 1.011 8 residues pruned to eliminate duplicates Z: 24 18.439 1.841 0.710 0.615 0.870 0.696 CB 1.259 24 residues pruned to eliminate duplicates Z: 33 56.737 2.303 1.134 0.724 0.969 0.844 CB 1.722 33 residues pruned to eliminate duplicates Z: 29 51.145 2.287 1.088 0.682 0.964 0.714 CB 1.777 28 residues pruned to eliminate duplicates Z: 11 20.472 1.926 0.701 0.905 1.000 1.000 CB 1.406 11 residues pruned to eliminate duplicates Z: 97 74.440 2.280 0.919 0.619 0.948 0.740 CB 1.637 97 residues pruned to eliminate duplicates Z: 8 12.776 2.165 0.445 0.672 0.857 0.857 CB 1.537 8 residues pruned to eliminate duplicates Z: 89 54.174 2.174 0.819 0.554 0.909 0.636 CB 1.523 89 residues pruned to eliminate duplicates Z: 24 24.595 2.048 0.605 0.632 0.913 0.696 CB 1.510 24 residues pruned to eliminate duplicates Z: 123 77.130 2.249 0.919 0.589 0.943 0.746 CB 1.577 124 residues pruned to eliminate duplicates Z: 9 2.623 1.327 0.387 0.198 0.750 0.500 CB 0.962 Z: 53 30.479 2.074 0.733 0.471 0.846 0.615 CB 1.432 53 residues pruned to eliminate duplicates Z: 11 13.477 1.861 1.045 0.543 0.900 0.700 CB 1.193 11 residues pruned to eliminate duplicates Z: 11 22.293 2.119 0.771 0.880 1.000 0.800 CA 1.361 11 residues pruned to eliminate duplicates Z: 29 35.947 2.225 0.659 0.724 0.964 0.679 CB 1.560 29 residues pruned to eliminate duplicates Z: 24 34.357 2.228 1.082 0.481 0.957 0.522 CB 1.646 24 residues pruned to eliminate duplicates Z: 8 2.572 1.374 -0.056 0.352 0.857 0.429 CB 1.026 Z: 15 31.859 2.263 0.606 0.894 1.000 0.929 CB 1.680 15 residues pruned to eliminate duplicates Z: 32 46.686 2.253 0.877 0.697 0.968 0.742 CB 1.712 32 residues pruned to eliminate duplicates Z: 18 21.216 2.104 0.380 0.772 0.882 0.706 CA 1.579 18 residues pruned to eliminate duplicates Z: 24 25.671 1.936 0.865 0.607 0.913 0.652 CB 1.467 23 residues pruned to eliminate duplicates Z: 39 34.504 2.115 0.700 0.500 0.947 0.684 CB 1.644 39 residues pruned to eliminate duplicates Z: 14 16.081 1.927 0.707 0.425 0.923 0.538 CA 1.587 14 residues pruned to eliminate duplicates Z: 6 2.568 1.527 0.627 0.495 0.600 0.600 CB 0.775 Z: 6 2.364 1.082 -0.030 0.751 1.000 0.800 N 0.805 6 residues pruned to eliminate duplicates Z: 23 23.079 1.917 0.792 0.625 0.909 0.636 CA 1.401 23 residues pruned to eliminate duplicates Z: 6 2.764 1.566 0.121 0.438 0.800 0.600 O 0.938 6 residues pruned to eliminate duplicates Z: 6 2.294 1.284 0.334 0.459 1.000 0.600 CB 0.624 Z: 18 13.988 2.048 0.494 0.524 0.882 0.588 CB 1.226 18 residues pruned to eliminate duplicates Z: 14 26.919 2.097 1.213 0.574 0.923 0.615 C 1.623 14 residues pruned to eliminate duplicates Z: 14 34.996 2.354 1.045 0.727 1.000 0.846 CA 1.643 15 residues pruned to eliminate duplicates Z: 14 37.102 2.380 0.878 0.869 1.000 0.846 CB 1.681 14 residues pruned to eliminate duplicates Z: 112 70.183 2.193 0.928 0.573 0.946 0.739 CB 1.552 112 residues pruned to eliminate duplicates Z: 14 32.632 2.275 0.846 0.867 1.000 0.846 CB 1.577 14 residues pruned to eliminate duplicates Z: 67 41.664 2.173 0.906 0.498 0.879 0.652 CB 1.412 67 residues pruned to eliminate duplicates Z: 20 23.849 2.053 0.683 0.772 0.895 0.684 CA 1.391 20 residues pruned to eliminate duplicates Z: 22 25.013 2.117 0.705 0.522 0.952 0.714 CB 1.554 22 residues pruned to eliminate duplicates Z: 8 5.646 1.550 0.223 0.581 0.857 0.714 N 1.215 Z: 15 19.168 2.003 0.743 0.542 0.929 0.786 CB 1.517 15 residues pruned to eliminate duplicates Z: 84 59.166 2.246 0.776 0.598 0.940 0.735 CB 1.578 84 residues pruned to eliminate duplicates Z: 19 19.376 1.886 0.677 0.671 0.889 0.556 CB 1.387 17 residues pruned to eliminate duplicates Z: 72 43.162 2.084 0.778 0.495 0.944 0.592 CB 1.473 72 residues pruned to eliminate duplicates Z: 24 19.363 1.882 0.618 0.628 0.957 0.435 CB 1.229 24 residues pruned to eliminate duplicates Z: 23 26.229 1.981 1.023 0.643 0.864 0.773 CB 1.414 23 residues pruned to eliminate duplicates Z: 48 40.736 2.192 0.794 0.548 0.957 0.702 CB 1.507 48 residues pruned to eliminate duplicates Z: 26 8.007 1.614 0.320 0.372 0.840 0.600 CB 1.026 26 residues pruned to eliminate duplicates Z: 6 3.228 1.688 0.008 0.543 1.000 0.400 N 0.814 Z: 36 33.611 2.095 0.750 0.549 0.943 0.629 CB 1.566 36 residues pruned to eliminate duplicates Z: 58 45.634 2.179 1.067 0.514 0.912 0.702 CB 1.451 58 residues pruned to eliminate duplicates Z: 33 23.235 2.023 0.515 0.533 0.906 0.594 CB 1.431 33 residues pruned to eliminate duplicates Z: 81 64.878 2.263 0.967 0.559 0.938 0.675 CB 1.641 81 residues pruned to eliminate duplicates 7 1.233 1.236 0.059 0.409 0.667 0.500 CB 0.635 ? Z: 16 29.584 2.072 0.591 0.874 1.000 0.867 CA 1.687 16 residues pruned to eliminate duplicates Z: 8 2.509 1.391 0.352 0.242 1.000 0.286 CB 0.679 Z: 50 49.718 2.220 0.825 0.600 0.959 0.612 CB 1.661 50 residues pruned to eliminate duplicates Z: 95 61.539 2.217 0.825 0.551 0.915 0.670 CB 1.632 95 residues pruned to eliminate duplicates Z: 26 23.647 2.041 0.464 0.561 0.960 0.640 CB 1.554 26 residues pruned to eliminate duplicates Z: 87 54.028 2.174 0.803 0.558 0.919 0.640 CB 1.528 87 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 13 17.016 1.943 0.975 0.572 0.833 0.750 CB 1.432 13 residues pruned to eliminate duplicates Z: 23 22.773 1.970 0.833 0.546 0.909 0.682 CA 1.414 23 residues pruned to eliminate duplicates Z: 6 4.444 1.452 1.176 0.290 0.800 0.400 CA 0.995 6 residues pruned to eliminate duplicates Z: 23 25.916 1.940 0.879 0.620 1.000 0.682 CB 1.354 23 residues pruned to eliminate duplicates Z: 12 20.472 1.971 0.940 0.702 0.909 0.909 CB 1.477 11 residues pruned to eliminate duplicates Z: 6 4.286 1.764 0.328 0.277 0.800 0.400 CA 1.317 6 residues pruned to eliminate duplicates Z: 24 23.651 1.948 0.714 0.548 1.000 0.696 CB 1.409 24 residues pruned to eliminate duplicates Z: 23 23.028 1.962 0.819 0.600 0.955 0.773 CB 1.310 23 residues pruned to eliminate duplicates Z: 7 3.556 1.679 0.033 0.328 1.000 0.667 CB 1.010 7 residues pruned to eliminate duplicates Z: 24 22.613 1.956 0.717 0.582 0.957 0.739 CB 1.357 24 residues pruned to eliminate duplicates Z: 25 15.959 1.833 0.646 0.561 0.833 0.708 CB 1.222 25 residues pruned to eliminate duplicates Z: 11 13.009 1.839 0.653 0.673 1.000 0.700 CB 1.154 11 residues pruned to eliminate duplicates Z: 10 15.571 1.974 0.703 0.667 1.000 0.778 CB 1.323 10 residues pruned to eliminate duplicates Z: 24 21.484 1.921 0.708 0.564 0.957 0.783 CB 1.342 24 residues pruned to eliminate duplicates Z: 20 39.635 2.327 1.031 0.722 0.947 0.632 CA 1.663 20 residues pruned to eliminate duplicates Z: 46 53.036 2.347 0.850 0.622 0.933 0.644 CA 1.739 46 residues pruned to eliminate duplicates Z: 50 54.551 2.359 0.942 0.589 0.898 0.673 CB 1.741 50 residues pruned to eliminate duplicates Z: 49 49.246 2.293 0.850 0.584 0.938 0.583 CB 1.649 49 residues pruned to eliminate duplicates Z: 45 57.090 2.369 1.014 0.624 0.909 0.682 CB 1.764 45 residues pruned to eliminate duplicates Z: 33 52.037 2.320 1.051 0.631 0.969 0.625 CB 1.764 33 residues pruned to eliminate duplicates Z: 46 52.804 2.358 0.958 0.575 0.911 0.667 CA 1.740 46 residues pruned to eliminate duplicates Z: 44 60.143 2.350 1.052 0.627 0.977 0.628 CB 1.728 44 residues pruned to eliminate duplicates Z: 45 58.546 2.379 0.957 0.613 0.955 0.659 CB 1.785 45 residues pruned to eliminate duplicates Z: 44 60.091 2.370 1.075 0.615 0.930 0.674 CA 1.797 44 residues pruned to eliminate duplicates Z: 128 82.034 2.309 0.832 0.607 0.921 0.693 CB 1.688 128 residues pruned to eliminate duplicates Z: 32 51.108 2.361 1.033 0.642 0.935 0.677 CA 1.791 32 residues pruned to eliminate duplicates Z: 34 51.160 2.335 1.007 0.645 0.939 0.667 CB 1.766 34 residues pruned to eliminate duplicates Z: 46 59.487 2.357 1.053 0.629 0.933 0.644 CB 1.739 46 residues pruned to eliminate duplicates Z: 128 81.808 2.297 0.827 0.598 0.945 0.685 CB 1.668 128 residues pruned to eliminate duplicates Z: 18 44.000 2.260 0.990 0.811 1.000 0.706 CB 1.810 18 residues pruned to eliminate duplicates Z: 22 34.364 2.291 0.970 0.618 0.952 0.571 CA 1.561 22 residues pruned to eliminate duplicates Z: 47 55.978 2.335 1.064 0.591 0.913 0.696 CA 1.719 47 residues pruned to eliminate duplicates Z: 48 59.519 2.339 1.066 0.624 0.957 0.681 CB 1.669 48 residues pruned to eliminate duplicates Z: 45 59.968 2.386 1.025 0.635 0.932 0.659 CB 1.769 45 residues pruned to eliminate duplicates Z: 129 79.256 2.286 0.830 0.600 0.914 0.680 CB 1.665 129 residues pruned to eliminate duplicates Z: 127 82.584 2.314 0.884 0.593 0.913 0.635 CB 1.692 127 residues pruned to eliminate duplicates Z: 46 59.352 2.390 1.086 0.596 0.933 0.689 CB 1.734 46 residues pruned to eliminate duplicates Z: 45 58.406 2.379 0.989 0.605 0.977 0.705 CB 1.724 45 residues pruned to eliminate duplicates Z: 45 63.789 2.394 1.104 0.621 0.955 0.705 CB 1.784 45 residues pruned to eliminate duplicates Z: 49 56.595 2.350 0.982 0.619 0.896 0.667 CA 1.749 49 residues pruned to eliminate duplicates Z: 45 56.635 2.390 0.991 0.621 0.932 0.705 CB 1.717 45 residues pruned to eliminate duplicates Z: 34 52.268 2.325 1.146 0.646 0.939 0.697 CB 1.693 34 residues pruned to eliminate duplicates Z: 45 58.535 2.355 0.962 0.650 0.932 0.659 CB 1.782 45 residues pruned to eliminate duplicates Z: 33 55.376 2.327 1.124 0.639 1.000 0.781 CA 1.738 33 residues pruned to eliminate duplicates Z: 49 53.249 2.331 1.051 0.569 0.875 0.667 CB 1.718 49 residues pruned to eliminate duplicates Z: 63 61.581 2.322 1.003 0.563 0.919 0.677 CB 1.720 63 residues pruned to eliminate duplicates Z: 45 56.331 2.336 0.985 0.602 0.955 0.614 CB 1.741 45 residues pruned to eliminate duplicates Z: 47 56.429 2.326 1.023 0.611 0.957 0.674 CB 1.664 47 residues pruned to eliminate duplicates Z: 47 58.548 2.326 1.016 0.623 0.957 0.696 CB 1.714 47 residues pruned to eliminate duplicates Z: 44 57.212 2.382 1.076 0.614 0.907 0.698 CB 1.746 44 residues pruned to eliminate duplicates Z: 44 65.984 2.397 1.149 0.658 0.930 0.651 CB 1.813 44 residues pruned to eliminate duplicates Z: 13 23.083 2.319 0.959 0.559 0.833 0.667 CB 1.662 13 residues pruned to eliminate duplicates Z: 68 48.954 2.242 0.913 0.491 0.896 0.612 CB 1.570 68 residues pruned to eliminate duplicates Z: 21 14.614 2.101 0.802 0.416 0.650 0.550 CB 1.449 21 residues pruned to eliminate duplicates Z: 46 51.827 2.330 0.995 0.543 0.933 0.622 CB 1.708 46 residues pruned to eliminate duplicates Z: 45 57.334 2.371 1.008 0.630 0.955 0.682 CB 1.682 45 residues pruned to eliminate duplicates Z: 60 49.728 2.299 0.857 0.524 0.915 0.712 CB 1.617 60 residues pruned to eliminate duplicates Z: 129 81.370 2.291 0.835 0.595 0.938 0.672 CB 1.667 129 residues pruned to eliminate duplicates Z: 96 64.058 2.274 0.771 0.575 0.958 0.642 CB 1.585 96 residues pruned to eliminate duplicates Z: 86 64.009 2.270 0.888 0.579 0.953 0.682 CB 1.576 86 residues pruned to eliminate duplicates Z: 88 52.740 2.196 0.808 0.570 0.885 0.678 CB 1.504 88 residues pruned to eliminate duplicates Z: 63 53.860 2.311 0.945 0.555 0.887 0.710 CB 1.627 63 residues pruned to eliminate duplicates Z: 127 86.617 2.314 0.929 0.604 0.937 0.635 CB 1.672 127 residues pruned to eliminate duplicates Z: 127 78.681 2.295 0.840 0.580 0.921 0.611 CB 1.669 127 residues pruned to eliminate duplicates Z: 72 61.702 2.273 0.896 0.589 0.958 0.746 CB 1.628 72 residues pruned to eliminate duplicates Z: 16 18.329 2.174 0.833 0.329 0.867 0.333 CB 1.652 16 residues pruned to eliminate duplicates Z: 60 58.654 2.346 1.043 0.523 0.898 0.627 CB 1.734 60 residues pruned to eliminate duplicates Z: 81 73.656 2.317 1.001 0.583 0.950 0.688 CB 1.726 80 residues pruned to eliminate duplicates Z: 6 10.657 1.802 0.901 0.397 1.000 0.800 CB 1.552 6 residues pruned to eliminate duplicates Z: 131 81.653 2.284 0.870 0.592 0.946 0.623 CB 1.624 131 residues pruned to eliminate duplicates Z: 25 31.192 2.207 0.819 0.515 0.917 0.750 CB 1.705 25 residues pruned to eliminate duplicates Z: 86 56.709 2.238 0.769 0.591 0.918 0.694 CB 1.553 86 residues pruned to eliminate duplicates Z: 127 86.524 2.312 0.903 0.604 0.952 0.690 CB 1.665 127 residues pruned to eliminate duplicates Z: 83 58.466 2.232 0.840 0.586 0.927 0.683 CB 1.562 83 residues pruned to eliminate duplicates Z: 65 52.682 2.299 0.762 0.570 0.922 0.719 CB 1.649 65 residues pruned to eliminate duplicates Z: 75 56.522 2.220 0.817 0.550 0.946 0.689 CB 1.641 75 residues pruned to eliminate duplicates Z: 93 55.906 2.185 0.782 0.580 0.902 0.663 CB 1.535 93 residues pruned to eliminate duplicates Z: 59 48.297 2.242 0.815 0.540 0.966 0.655 CB 1.553 59 residues pruned to eliminate duplicates Z: 84 57.538 2.252 0.746 0.582 0.928 0.566 CB 1.600 84 residues pruned to eliminate duplicates Z: 55 47.441 2.232 0.949 0.500 0.926 0.704 CB 1.603 55 residues pruned to eliminate duplicates Z: 51 47.011 2.254 0.867 0.544 0.940 0.800 CB 1.610 51 residues pruned to eliminate duplicates Z: 82 62.979 2.260 0.832 0.598 0.963 0.617 CB 1.599 82 residues pruned to eliminate duplicates Z: 49 46.031 2.234 0.860 0.541 0.958 0.646 CB 1.603 49 residues pruned to eliminate duplicates Z: 53 45.851 2.227 0.859 0.528 0.962 0.712 CB 1.553 53 residues pruned to eliminate duplicates Z: 61 56.768 2.310 0.915 0.562 0.950 0.683 CB 1.643 61 residues pruned to eliminate duplicates Z: 81 57.769 2.241 0.751 0.594 0.950 0.675 CB 1.584 81 residues pruned to eliminate duplicates Z: 55 46.237 2.265 0.855 0.549 0.926 0.722 CB 1.542 55 residues pruned to eliminate duplicates Z: 84 61.001 2.254 0.805 0.606 0.916 0.723 CB 1.625 84 residues pruned to eliminate duplicates Z: 36 42.467 2.262 0.836 0.539 0.971 0.743 CB 1.712 36 residues pruned to eliminate duplicates Z: 131 84.377 2.294 0.905 0.609 0.931 0.715 CB 1.641 131 residues pruned to eliminate duplicates Z: 89 58.808 2.207 0.821 0.569 0.932 0.670 CB 1.567 89 residues pruned to eliminate duplicates Z: 39 44.733 2.260 0.850 0.547 0.974 0.711 CB 1.702 39 residues pruned to eliminate duplicates Z: 10 7.849 1.924 0.238 0.404 0.889 0.778 CA 1.367 10 residues pruned to eliminate duplicates Z: 85 62.329 2.276 0.822 0.598 0.940 0.714 CB 1.588 85 residues pruned to eliminate duplicates Z: 46 38.790 2.236 0.818 0.529 0.933 0.733 CB 1.481 46 residues pruned to eliminate duplicates Z: 74 49.957 2.209 0.717 0.575 0.918 0.644 CB 1.561 74 residues pruned to eliminate duplicates Z: 87 57.511 2.202 0.826 0.586 0.930 0.721 CB 1.527 87 residues pruned to eliminate duplicates Z: 87 58.624 2.215 0.844 0.594 0.942 0.651 CB 1.503 87 residues pruned to eliminate duplicates Z: 50 42.573 2.263 0.599 0.619 0.959 0.612 CB 1.566 50 residues pruned to eliminate duplicates Z: 128 82.271 2.297 0.858 0.602 0.953 0.677 CB 1.629 128 residues pruned to eliminate duplicates Z: 83 61.753 2.245 0.784 0.605 0.976 0.683 CB 1.579 83 residues pruned to eliminate duplicates Z: 127 83.441 2.299 0.879 0.592 0.937 0.643 CB 1.682 127 residues pruned to eliminate duplicates Z: 66 45.071 2.219 0.783 0.473 0.938 0.677 CB 1.547 66 residues pruned to eliminate duplicates Z: 86 56.135 2.207 0.849 0.583 0.918 0.682 CB 1.502 86 residues pruned to eliminate duplicates Z: 88 52.520 2.185 0.806 0.548 0.920 0.621 CB 1.481 88 residues pruned to eliminate duplicates Z: 82 60.295 2.229 0.852 0.581 0.951 0.704 CB 1.579 82 residues pruned to eliminate duplicates Z: 128 81.615 2.289 0.877 0.594 0.961 0.685 CB 1.604 128 residues pruned to eliminate duplicates Z: 130 84.243 2.271 0.927 0.610 0.946 0.636 CB 1.614 130 residues pruned to eliminate duplicates Z: 13 5.722 1.684 0.686 0.164 0.750 0.250 CB 1.168 13 residues pruned to eliminate duplicates Z: 57 43.292 2.184 0.793 0.599 0.911 0.589 CB 1.475 57 residues pruned to eliminate duplicates Z: 97 61.918 2.266 0.779 0.570 0.927 0.708 CB 1.580 97 residues pruned to eliminate duplicates Z: 56 40.845 2.172 0.772 0.549 0.873 0.600 CB 1.563 56 residues pruned to eliminate duplicates Z: 85 54.939 2.223 0.749 0.579 0.917 0.714 CB 1.559 85 residues pruned to eliminate duplicates Z: 47 32.809 2.177 0.711 0.560 0.913 0.565 CB 1.343 47 residues pruned to eliminate duplicates Z: 97 61.925 2.272 0.785 0.571 0.938 0.635 CB 1.553 97 residues pruned to eliminate duplicates Z: 86 57.597 2.221 0.867 0.552 0.929 0.600 CB 1.541 86 residues pruned to eliminate duplicates Z: 85 63.379 2.245 0.903 0.596 0.940 0.667 CB 1.570 85 residues pruned to eliminate duplicates Z: 86 58.303 2.249 0.860 0.563 0.906 0.682 CB 1.570 86 residues pruned to eliminate duplicates Z: 54 40.636 2.228 0.715 0.599 0.925 0.623 CB 1.438 54 residues pruned to eliminate duplicates Z: 52 44.343 2.266 0.807 0.601 0.902 0.627 CB 1.527 52 residues pruned to eliminate duplicates Z: 51 42.640 2.244 0.730 0.616 0.940 0.640 CB 1.481 51 residues pruned to eliminate duplicates Z: 46 40.585 2.253 0.841 0.624 0.889 0.644 CB 1.460 46 residues pruned to eliminate duplicates Z: 40 30.885 2.156 0.704 0.590 0.872 0.692 CB 1.416 40 residues pruned to eliminate duplicates Z: 80 59.596 2.262 0.784 0.606 0.962 0.671 CB 1.561 80 residues pruned to eliminate duplicates Z: 82 58.488 2.243 0.821 0.576 0.926 0.630 CB 1.598 82 residues pruned to eliminate duplicates Z: 70 46.265 2.140 0.731 0.572 0.942 0.609 CB 1.489 70 residues pruned to eliminate duplicates Z: 80 65.323 2.286 0.883 0.600 0.962 0.684 CB 1.614 80 residues pruned to eliminate duplicates Z: 31 36.275 2.222 0.666 0.683 0.933 0.700 CB 1.621 31 residues pruned to eliminate duplicates Z: 81 61.689 2.259 0.785 0.606 0.963 0.688 CB 1.606 81 residues pruned to eliminate duplicates Z: 40 38.380 2.190 0.751 0.638 0.923 0.564 CB 1.526 40 residues pruned to eliminate duplicates Z: 46 35.356 2.071 0.738 0.623 0.933 0.556 CB 1.398 46 residues pruned to eliminate duplicates Z: 48 45.798 2.294 0.780 0.644 0.915 0.681 CB 1.563 48 residues pruned to eliminate duplicates Z: 91 57.961 2.175 0.831 0.558 0.944 0.644 CB 1.535 91 residues pruned to eliminate duplicates Z: 85 51.888 2.192 0.810 0.539 0.917 0.679 CB 1.499 85 residues pruned to eliminate duplicates Z: 46 41.087 2.207 0.915 0.608 0.889 0.622 CB 1.472 46 residues pruned to eliminate duplicates Z: 43 39.875 2.224 0.771 0.627 0.905 0.690 CB 1.532 43 residues pruned to eliminate duplicates Z: 43 40.817 2.231 0.739 0.640 0.952 0.571 CB 1.496 43 residues pruned to eliminate duplicates Z: 96 62.810 2.259 0.837 0.591 0.926 0.737 CB 1.536 96 residues pruned to eliminate duplicates Z: 14 15.429 1.933 0.602 0.668 0.923 0.462 CA 1.282 14 residues pruned to eliminate duplicates Z: 99 52.279 2.162 0.718 0.542 0.939 0.663 CB 1.453 99 residues pruned to eliminate duplicates Z: 134 73.668 2.237 0.890 0.567 0.917 0.647 CB 1.544 134 residues pruned to eliminate duplicates Z: 69 39.563 2.133 0.639 0.577 0.912 0.603 CB 1.397 69 residues pruned to eliminate duplicates Z: 70 43.450 2.141 0.669 0.586 0.913 0.594 CB 1.477 70 residues pruned to eliminate duplicates Z: 133 81.741 2.270 0.894 0.599 0.932 0.629 CB 1.616 133 residues pruned to eliminate duplicates Z: 37 23.916 2.126 0.471 0.460 0.917 0.556 CB 1.447 37 residues pruned to eliminate duplicates Z: 39 26.306 2.131 0.480 0.516 0.921 0.474 CB 1.446 39 residues pruned to eliminate duplicates Z: 34 35.129 2.245 0.690 0.566 0.970 0.576 CB 1.560 34 residues pruned to eliminate duplicates Z: 60 31.772 2.028 0.708 0.556 0.864 0.542 CB 1.309 60 residues pruned to eliminate duplicates Z: 34 28.970 2.260 0.514 0.514 0.939 0.515 CB 1.547 34 residues pruned to eliminate duplicates Z: 29 20.687 2.124 0.573 0.519 0.821 0.536 CB 1.398 29 residues pruned to eliminate duplicates Z: 38 29.591 2.154 0.593 0.469 0.946 0.649 CB 1.547 38 residues pruned to eliminate duplicates Z: 8 5.110 1.779 0.202 0.498 0.857 0.429 CB 1.056 8 residues pruned to eliminate duplicates Z: 34 20.665 2.026 0.530 0.488 0.848 0.576 CB 1.384 34 residues pruned to eliminate duplicates Z: 40 25.037 2.082 0.488 0.461 0.949 0.513 CB 1.420 40 residues pruned to eliminate duplicates Z: 29 21.380 2.094 0.493 0.544 0.893 0.571 CB 1.387 29 residues pruned to eliminate duplicates Z: 31 23.371 2.104 0.475 0.504 0.900 0.533 CB 1.522 31 residues pruned to eliminate duplicates Z: 41 21.621 1.893 0.550 0.452 0.900 0.600 CB 1.359 65 residues pruned to eliminate duplicates Z: 22 16.801 1.952 0.507 0.570 0.952 0.476 CB 1.222 22 residues pruned to eliminate duplicates Z: 31 23.868 2.084 0.464 0.526 0.933 0.667 CB 1.491 31 residues pruned to eliminate duplicates Z: 42 28.324 2.044 0.552 0.542 0.951 0.561 CB 1.406 42 residues pruned to eliminate duplicates Z: 32 19.319 2.063 0.457 0.498 0.806 0.516 CB 1.434 32 residues pruned to eliminate duplicates Z: 39 28.949 2.148 0.578 0.478 0.947 0.474 CB 1.495 39 residues pruned to eliminate duplicates Z: 42 27.080 2.101 0.487 0.499 0.927 0.585 CB 1.461 42 residues pruned to eliminate duplicates Z: 28 20.288 2.127 0.523 0.463 0.852 0.556 CB 1.469 28 residues pruned to eliminate duplicates Z: 39 24.794 2.083 0.508 0.449 0.947 0.553 CB 1.424 39 residues pruned to eliminate duplicates Z: 122 58.360 2.200 0.657 0.553 0.926 0.669 CB 1.493 122 residues pruned to eliminate duplicates Z: 41 28.666 2.123 0.570 0.497 0.950 0.600 CB 1.436 41 residues pruned to eliminate duplicates Z: 17 25.758 2.264 0.840 0.495 0.938 0.562 CB 1.657 18 residues pruned to eliminate duplicates Z: 6 6.444 1.774 0.739 0.319 1.000 0.800 CA 1.141 6 residues pruned to eliminate duplicates Z: 40 31.494 2.153 0.627 0.517 0.974 0.564 CB 1.452 40 residues pruned to eliminate duplicates Z: 18 29.975 2.347 0.969 0.543 0.941 0.765 CB 1.603 18 residues pruned to eliminate duplicates Z: 35 35.682 2.187 0.827 0.549 0.941 0.529 CB 1.551 35 residues pruned to eliminate duplicates Z: 13 25.568 2.233 0.995 0.531 0.917 0.750 CB 1.753 13 residues pruned to eliminate duplicates Z: 11 28.887 2.332 1.266 0.537 1.000 0.800 CB 1.667 11 residues pruned to eliminate duplicates Z: 24 27.394 2.275 0.799 0.471 0.913 0.652 CB 1.574 24 residues pruned to eliminate duplicates Z: 6 8.056 1.814 0.743 0.468 0.800 0.600 CA 1.471 6 residues pruned to eliminate duplicates Z: 18 34.811 2.385 0.962 0.579 1.000 0.882 CB 1.672 18 residues pruned to eliminate duplicates Z: 6 6.580 1.790 0.659 0.469 1.000 0.800 CA 1.023 6 residues pruned to eliminate duplicates Z: 26 28.877 2.077 0.555 0.601 1.000 0.680 CA 1.624 26 residues pruned to eliminate duplicates Z: 6 9.416 2.119 0.823 0.477 1.000 0.800 CA 1.116 6 residues pruned to eliminate duplicates Z: 34 35.097 2.132 0.738 0.514 0.970 0.515 CB 1.678 34 residues pruned to eliminate duplicates Z: 25 28.501 2.079 0.592 0.571 1.000 0.583 CB 1.640 25 residues pruned to eliminate duplicates Z: 6 5.528 1.954 0.069 0.584 0.800 0.600 CB 1.364 6 residues pruned to eliminate duplicates Z: 29 39.221 2.245 0.763 0.522 1.000 0.607 CA 1.832 29 residues pruned to eliminate duplicates Z: 34 32.883 2.134 0.725 0.499 0.939 0.576 CB 1.658 34 residues pruned to eliminate duplicates Z: 34 33.459 2.153 0.769 0.483 0.939 0.606 CB 1.657 34 residues pruned to eliminate duplicates Z: 34 33.479 2.148 0.768 0.523 0.939 0.636 CB 1.597 34 residues pruned to eliminate duplicates Z: 33 31.930 2.131 0.628 0.514 0.969 0.594 CB 1.657 33 residues pruned to eliminate duplicates Z: 33 33.920 2.161 0.586 0.517 1.000 0.625 CB 1.722 33 residues pruned to eliminate duplicates Z: 6 4.319 1.639 0.327 0.330 1.000 0.400 CB 1.070 6 residues pruned to eliminate duplicates Z: 25 24.792 2.095 0.451 0.570 0.917 0.625 CB 1.698 25 residues pruned to eliminate duplicates Z: 16 28.308 2.270 0.798 0.560 0.933 0.600 CB 1.810 16 residues pruned to eliminate duplicates Z: 35 31.163 2.129 0.604 0.518 0.971 0.559 CB 1.584 35 residues pruned to eliminate duplicates Z: 33 32.242 2.143 0.577 0.543 0.969 0.719 CB 1.669 33 residues pruned to eliminate duplicates Z: 16 30.448 2.261 0.896 0.550 1.000 0.667 CB 1.748 16 residues pruned to eliminate duplicates Z: 14 14.439 2.040 1.039 0.333 0.846 0.538 CB 1.366 14 residues pruned to eliminate duplicates Z: 34 29.420 2.108 1.067 0.402 0.909 0.697 CB 1.433 34 residues pruned to eliminate duplicates Z: 17 29.018 2.220 1.100 0.498 0.938 0.750 CB 1.663 17 residues pruned to eliminate duplicates Z: 12 19.011 2.064 1.270 0.379 0.909 0.636 CB 1.531 12 residues pruned to eliminate duplicates Z: 11 24.517 2.044 1.223 0.554 1.000 0.700 CB 1.620 11 residues pruned to eliminate duplicates Z: 13 20.027 2.015 1.046 0.418 1.000 0.667 CA 1.528 13 residues pruned to eliminate duplicates Z: 16 29.329 2.162 1.059 0.520 1.000 0.733 CB 1.668 16 residues pruned to eliminate duplicates Z: 83 53.988 2.173 0.820 0.549 0.902 0.622 CB 1.591 83 residues pruned to eliminate duplicates Z: 20 33.890 2.158 0.804 0.777 0.947 0.684 CB 1.651 20 residues pruned to eliminate duplicates Z: 81 68.859 2.288 1.031 0.580 0.913 0.700 CB 1.681 81 residues pruned to eliminate duplicates Z: 23 34.819 2.253 0.660 0.701 1.000 0.773 CB 1.652 23 residues pruned to eliminate duplicates Z: 33 42.419 2.198 0.867 0.649 0.938 0.594 CB 1.696 33 residues pruned to eliminate duplicates Z: 59 47.576 2.223 0.923 0.514 0.897 0.586 CB 1.607 33 residues pruned to eliminate duplicates Z: 16 38.740 2.351 0.848 0.804 1.000 0.667 CA 1.766 16 residues pruned to eliminate duplicates Z: 49 50.642 2.274 0.908 0.573 0.938 0.667 CB 1.675 49 residues pruned to eliminate duplicates Z: 16 38.144 2.400 0.925 0.808 0.933 0.667 CB 1.746 16 residues pruned to eliminate duplicates Z: 47 51.329 2.260 0.988 0.602 0.891 0.652 CB 1.715 46 residues pruned to eliminate duplicates Z: 16 34.058 2.354 0.736 0.834 0.933 0.867 CB 1.729 20 residues pruned to eliminate duplicates Z: 16 33.237 2.310 0.847 0.790 0.933 0.533 CB 1.671 16 residues pruned to eliminate duplicates Z: 23 36.987 2.294 0.873 0.669 0.955 0.591 CB 1.644 21 residues pruned to eliminate duplicates Z: 19 31.604 2.211 0.851 0.778 0.889 0.611 CA 1.602 19 residues pruned to eliminate duplicates Z: 45 57.287 2.307 0.911 0.636 1.000 0.727 CB 1.724 43 residues pruned to eliminate duplicates Z: 15 31.320 2.377 0.539 0.808 1.000 0.786 CB 1.749 15 residues pruned to eliminate duplicates Z: 81 62.919 2.267 0.872 0.571 0.938 0.713 CB 1.651 81 residues pruned to eliminate duplicates Z: 46 49.675 2.296 0.877 0.557 0.933 0.600 CB 1.742 46 residues pruned to eliminate duplicates Z: 50 46.541 2.256 0.731 0.592 0.939 0.612 CB 1.661 50 residues pruned to eliminate duplicates Z: 31 46.506 2.301 0.826 0.679 0.967 0.767 CB 1.774 31 residues pruned to eliminate duplicates Z: 46 53.422 2.287 0.883 0.609 0.978 0.644 CB 1.706 46 residues pruned to eliminate duplicates Z: 91 66.507 2.206 1.019 0.571 0.922 0.689 CB 1.594 91 residues pruned to eliminate duplicates Z: 31 46.049 2.298 0.909 0.693 0.933 0.767 CB 1.721 31 residues pruned to eliminate duplicates Z: 49 50.836 2.205 0.951 0.618 0.958 0.688 CB 1.593 48 residues pruned to eliminate duplicates Z: 6 4.517 1.612 0.234 0.491 1.000 1.000 C 1.025 6 residues pruned to eliminate duplicates Z: 133 71.541 2.220 0.826 0.577 0.909 0.682 CB 1.569 133 residues pruned to eliminate duplicates Z: 132 77.319 2.241 0.883 0.582 0.931 0.634 CB 1.588 132 residues pruned to eliminate duplicates Z: 80 67.836 2.290 0.946 0.569 0.949 0.709 CB 1.688 80 residues pruned to eliminate duplicates Z: 129 77.232 2.257 0.806 0.595 0.938 0.672 CB 1.631 129 residues pruned to eliminate duplicates Z: 132 83.673 2.263 0.883 0.596 0.954 0.679 CB 1.640 133 residues pruned to eliminate duplicates Z: 6 3.611 1.846 0.364 0.254 0.800 0.800 CB 1.063 6 residues pruned to eliminate duplicates Z: 132 74.633 2.230 0.890 0.586 0.893 0.656 CB 1.595 132 residues pruned to eliminate duplicates Z: 83 63.620 2.196 0.992 0.592 0.915 0.707 CB 1.608 83 residues pruned to eliminate duplicates Z: 100 60.202 2.222 0.808 0.564 0.909 0.677 CB 1.557 100 residues pruned to eliminate duplicates Z: 83 69.602 2.239 0.925 0.599 0.963 0.768 CB 1.685 83 residues pruned to eliminate duplicates Z: 47 56.120 2.243 1.058 0.638 0.935 0.761 CB 1.685 47 residues pruned to eliminate duplicates Z: 89 68.297 2.243 1.001 0.582 0.920 0.682 CB 1.629 89 residues pruned to eliminate duplicates Z: 48 49.446 2.303 1.050 0.526 0.894 0.702 CB 1.666 48 residues pruned to eliminate duplicates Z: 32 34.056 2.210 0.808 0.485 0.935 0.645 CA 1.661 32 residues pruned to eliminate duplicates Z: 13 25.291 2.329 1.088 0.529 0.833 0.667 CB 1.750 13 residues pruned to eliminate duplicates Z: 73 57.813 2.262 0.963 0.498 0.931 0.681 CB 1.653 45 residues pruned to eliminate duplicates Z: 6 3.294 1.920 0.217 0.227 0.600 0.600 CB 1.445 5 residues pruned to eliminate duplicates Z: 7 3.661 1.671 0.427 0.246 0.833 0.667 CA 1.008 7 residues pruned to eliminate duplicates Z: 40 32.701 2.174 0.928 0.473 0.872 0.692 CB 1.472 40 residues pruned to eliminate duplicates Z: 81 70.997 2.290 1.020 0.592 0.950 0.725 CB 1.654 81 residues pruned to eliminate duplicates Z: 131 79.693 2.257 0.884 0.598 0.923 0.723 CB 1.622 88 residues pruned to eliminate duplicates Z: 7 7.757 1.916 1.168 0.424 0.667 0.667 CA 1.238 7 residues pruned to eliminate duplicates Z: 86 59.129 2.168 0.954 0.548 0.906 0.671 CB 1.594 86 residues pruned to eliminate duplicates Z: 38 36.368 2.191 0.844 0.502 0.946 0.568 CB 1.561 38 residues pruned to eliminate duplicates Z: 40 45.982 2.160 1.053 0.526 1.000 0.744 CB 1.617 40 residues pruned to eliminate duplicates Z: 82 68.946 2.246 1.000 0.581 0.951 0.691 CB 1.659 82 residues pruned to eliminate duplicates Z: 10 19.542 2.163 0.590 0.893 0.889 0.556 CB 1.530 10 residues pruned to eliminate duplicates Z: 135 78.831 2.211 0.934 0.580 0.933 0.642 CB 1.582 135 residues pruned to eliminate duplicates Z: 40 41.543 2.173 1.017 0.517 0.974 0.667 CB 1.532 40 residues pruned to eliminate duplicates Z: 37 46.950 2.220 1.245 0.538 0.972 0.694 CB 1.556 37 residues pruned to eliminate duplicates Z: 33 40.177 2.213 1.140 0.484 0.969 0.594 CB 1.573 33 residues pruned to eliminate duplicates Z: 48 43.619 2.171 0.935 0.533 0.936 0.702 CB 1.565 48 residues pruned to eliminate duplicates Z: 37 45.370 2.215 1.024 0.536 0.972 0.694 CB 1.675 37 residues pruned to eliminate duplicates Z: 32 44.353 2.228 1.221 0.565 0.903 0.710 CB 1.674 32 residues pruned to eliminate duplicates Z: 35 41.507 2.225 1.145 0.514 0.941 0.676 CB 1.563 35 residues pruned to eliminate duplicates Z: 38 37.311 2.195 0.921 0.496 0.919 0.676 CB 1.590 38 residues pruned to eliminate duplicates Z: 134 74.056 2.225 0.865 0.585 0.910 0.699 CB 1.568 134 residues pruned to eliminate duplicates Z: 37 38.448 2.171 0.938 0.503 0.944 0.639 CB 1.609 37 residues pruned to eliminate duplicates Z: 36 41.116 2.162 1.067 0.543 0.943 0.686 CB 1.581 36 residues pruned to eliminate duplicates Z: 36 44.300 2.272 1.103 0.541 0.943 0.686 CB 1.596 36 residues pruned to eliminate duplicates Z: 82 70.456 2.271 0.940 0.601 0.963 0.753 CB 1.676 82 residues pruned to eliminate duplicates Z: 70 73.799 2.314 1.231 0.584 0.957 0.725 CB 1.661 70 residues pruned to eliminate duplicates Z: 132 88.316 2.253 1.032 0.606 0.954 0.710 CB 1.598 132 residues pruned to eliminate duplicates Z: 8 5.838 1.627 0.419 0.483 0.857 0.571 CA 1.133 8 residues pruned to eliminate duplicates Z: 92 66.861 2.270 0.969 0.591 0.901 0.681 CB 1.595 92 residues pruned to eliminate duplicates Z: 94 53.981 2.135 0.828 0.545 0.925 0.677 CB 1.485 94 residues pruned to eliminate duplicates Z: 88 60.234 2.188 0.933 0.576 0.908 0.690 CB 1.563 88 residues pruned to eliminate duplicates Z: 42 54.862 2.232 1.150 0.588 0.976 0.756 CB 1.681 42 residues pruned to eliminate duplicates Z: 113 73.325 2.219 0.975 0.591 0.920 0.607 CB 1.576 113 residues pruned to eliminate duplicates Z: 88 54.528 2.206 0.847 0.556 0.885 0.667 CB 1.535 88 residues pruned to eliminate duplicates Z: 90 58.306 2.194 0.848 0.578 0.921 0.652 CB 1.534 90 residues pruned to eliminate duplicates Z: 84 60.641 2.210 0.892 0.582 0.940 0.699 CB 1.566 84 residues pruned to eliminate duplicates Z: 51 39.949 2.185 0.734 0.601 0.900 0.560 CB 1.505 51 residues pruned to eliminate duplicates Z: 59 40.976 2.159 0.704 0.576 0.897 0.690 CB 1.517 59 residues pruned to eliminate duplicates Z: 70 51.423 2.237 0.833 0.512 0.971 0.681 CB 1.537 70 residues pruned to eliminate duplicates Z: 70 43.581 2.135 0.695 0.607 0.899 0.594 CB 1.457 70 residues pruned to eliminate duplicates Z: 134 74.034 2.225 0.826 0.573 0.932 0.677 CB 1.579 134 residues pruned to eliminate duplicates Z: 83 54.433 2.201 0.843 0.557 0.915 0.695 CB 1.533 83 residues pruned to eliminate duplicates Z: 133 79.429 2.217 0.967 0.600 0.947 0.720 CB 1.522 133 residues pruned to eliminate duplicates Z: 7 6.461 1.710 0.782 0.376 0.833 0.667 CA 1.186 7 residues pruned to eliminate duplicates Z: 135 74.242 2.214 0.849 0.586 0.918 0.701 CB 1.572 135 residues pruned to eliminate duplicates Z: 134 75.110 2.223 0.814 0.588 0.940 0.714 CB 1.580 134 residues pruned to eliminate duplicates Z: 84 59.293 2.211 0.906 0.582 0.928 0.627 CB 1.538 84 residues pruned to eliminate duplicates Z: 89 57.797 2.210 0.875 0.576 0.898 0.682 CB 1.539 89 residues pruned to eliminate duplicates Z: 92 56.580 2.168 0.862 0.566 0.923 0.703 CB 1.493 92 residues pruned to eliminate duplicates Z: 86 55.673 2.165 0.894 0.571 0.918 0.718 CB 1.499 86 residues pruned to eliminate duplicates Z: 86 58.892 2.210 0.880 0.572 0.929 0.647 CB 1.543 86 residues pruned to eliminate duplicates Z: 133 76.605 2.227 0.870 0.589 0.939 0.636 CB 1.565 133 residues pruned to eliminate duplicates Z: 34 30.469 2.150 0.729 0.650 0.818 0.576 CB 1.516 34 residues pruned to eliminate duplicates Z: 133 80.192 2.223 0.980 0.607 0.917 0.705 CB 1.562 133 residues pruned to eliminate duplicates Z: 53 42.414 2.195 0.770 0.604 0.923 0.635 CB 1.486 53 residues pruned to eliminate duplicates Z: 47 31.068 2.072 0.777 0.557 0.826 0.630 CB 1.425 47 residues pruned to eliminate duplicates Z: 43 35.576 2.150 0.756 0.615 0.857 0.595 CB 1.522 43 residues pruned to eliminate duplicates Z: 57 44.598 2.189 0.840 0.594 0.893 0.679 CB 1.516 57 residues pruned to eliminate duplicates Z: 42 33.328 2.171 0.659 0.615 0.902 0.659 CB 1.436 42 residues pruned to eliminate duplicates Z: 58 39.676 2.171 0.792 0.569 0.912 0.561 CB 1.386 58 residues pruned to eliminate duplicates Z: 35 30.591 2.100 0.618 0.654 0.882 0.647 CB 1.516 35 residues pruned to eliminate duplicates Z: 58 37.746 2.139 0.811 0.557 0.860 0.614 CB 1.421 58 residues pruned to eliminate duplicates Z: 32 37.106 2.239 0.784 0.678 0.903 0.645 CB 1.569 32 residues pruned to eliminate duplicates Z: 77 53.175 2.228 0.896 0.556 0.895 0.671 CB 1.528 77 residues pruned to eliminate duplicates Z: 32 35.827 2.182 0.741 0.701 0.903 0.645 CB 1.562 32 residues pruned to eliminate duplicates Z: 86 56.661 2.193 0.843 0.572 0.918 0.624 CB 1.546 86 residues pruned to eliminate duplicates Z: 89 54.859 2.190 0.838 0.536 0.920 0.591 CB 1.523 89 residues pruned to eliminate duplicates Z: 89 54.807 2.185 0.818 0.554 0.932 0.670 CB 1.497 89 residues pruned to eliminate duplicates Z: 32 34.415 2.187 0.632 0.707 0.903 0.645 CB 1.589 32 residues pruned to eliminate duplicates Z: 33 34.798 2.123 0.669 0.676 0.969 0.469 CB 1.524 33 residues pruned to eliminate duplicates Z: 54 41.445 2.194 0.780 0.587 0.887 0.660 CB 1.512 54 residues pruned to eliminate duplicates Z: 89 62.737 2.202 0.885 0.599 0.943 0.727 CB 1.554 89 residues pruned to eliminate duplicates Z: 99 63.984 2.229 0.945 0.567 0.908 0.673 CB 1.537 99 residues pruned to eliminate duplicates Z: 89 61.867 2.225 0.900 0.579 0.932 0.693 CB 1.551 89 residues pruned to eliminate duplicates Z: 56 42.276 2.157 0.709 0.591 0.927 0.636 CB 1.530 55 residues pruned to eliminate duplicates Z: 6 5.765 1.547 0.635 0.412 1.000 0.800 CB 1.117 6 residues pruned to eliminate duplicates Z: 6 6.809 1.643 1.132 0.382 1.000 0.600 C 0.986 6 residues pruned to eliminate duplicates Z: 28 22.763 1.897 0.734 0.559 0.889 0.704 CB 1.414 29 residues pruned to eliminate duplicates Z: 6 5.912 1.733 0.804 0.436 0.800 0.600 CA 1.129 6 residues pruned to eliminate duplicates Z: 29 20.837 1.888 0.782 0.501 0.857 0.464 CB 1.365 29 residues pruned to eliminate duplicates Z: 23 27.294 2.015 0.846 0.637 0.909 0.682 CB 1.513 23 residues pruned to eliminate duplicates Z: 23 26.996 2.017 0.863 0.625 0.909 0.682 CB 1.498 23 residues pruned to eliminate duplicates Z: 6 3.310 1.308 0.758 0.445 0.800 0.600 CA 0.852 6 residues pruned to eliminate duplicates Z: 26 22.085 1.828 0.957 0.508 0.920 0.640 CB 1.332 26 residues pruned to eliminate duplicates Z: 23 24.426 2.005 0.833 0.620 0.864 0.636 CB 1.465 23 residues pruned to eliminate duplicates Z: 22 27.439 2.008 1.094 0.608 0.857 0.619 CB 1.499 22 residues pruned to eliminate duplicates Z: 6 4.107 1.309 0.596 0.434 1.000 0.400 CA 0.942 6 residues pruned to eliminate duplicates Z: 11 11.099 1.852 0.468 0.605 0.900 0.700 CA 1.298 11 residues pruned to eliminate duplicates Z: 6 3.734 1.465 0.700 0.308 0.800 0.400 C 1.037 6 residues pruned to eliminate duplicates Z: 13 9.160 1.725 0.650 0.466 0.833 0.583 CA 1.154 13 residues pruned to eliminate duplicates Z: 23 28.206 1.995 1.017 0.616 0.909 0.682 CB 1.474 23 residues pruned to eliminate duplicates 333 residues left after pruning, divided into chains as follows: A: 170 B: 15 C: 60 D: 6 E: 12 F: 51 G: 19 CC for partial structure against native data = 38.40 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.473, Connect. = 0.683 for dens.mod. cycle 1 = 0.300, Contrast = 0.551, Connect. = 0.720 for dens.mod. cycle 2 = 0.300, Contrast = 0.657, Connect. = 0.757 for dens.mod. cycle 3 = 0.300, Contrast = 0.668, Connect. = 0.761 for dens.mod. cycle 4 = 0.300, Contrast = 0.680, Connect. = 0.766 for dens.mod. cycle 5 = 0.300, Contrast = 0.684, Connect. = 0.768 for dens.mod. cycle 6 = 0.300, Contrast = 0.688, Connect. = 0.769 for dens.mod. cycle 7 = 0.300, Contrast = 0.689, Connect. = 0.770 for dens.mod. cycle 8 = 0.300, Contrast = 0.690, Connect. = 0.771 for dens.mod. cycle 9 = 0.300, Contrast = 0.690, Connect. = 0.772 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2901 peaks > 0.5 sigma used to seed fragment search Space for about 535 unique residues taking solvent into account 608 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 17 42.371 2.416 1.103 0.777 0.875 0.688 CA 1.865 B: 17 49.843 2.460 1.082 0.827 1.000 0.625 CA 1.832 17 residues pruned to eliminate duplicates C: 18 38.480 2.312 0.996 0.777 0.882 0.588 CB 1.794 18 residues pruned to eliminate duplicates D: 15 26.470 2.165 0.897 0.799 0.786 0.643 CB 1.688 E: 29 23.949 2.145 0.534 0.550 0.893 0.500 CB 1.468 F: 19 29.670 2.215 0.699 0.774 0.889 0.667 CA 1.641 16 residues pruned to eliminate duplicates G: 18 37.918 2.326 1.001 0.828 0.824 0.765 CA 1.807 18 residues pruned to eliminate duplicates H: 16 34.074 2.351 0.677 0.835 0.933 0.800 CA 1.790 17 residues pruned to eliminate duplicates I: 18 47.704 2.351 1.158 0.806 1.000 0.588 CA 1.747 18 residues pruned to eliminate duplicates J: 15 32.369 2.335 0.743 0.888 0.929 0.786 CB 1.650 K: 21 21.385 2.241 0.578 0.541 0.900 0.750 CB 1.444 L: 13 29.366 2.322 0.719 0.911 0.917 0.917 CB 1.642 13 residues pruned to eliminate duplicates M: 17 28.351 2.190 0.698 0.757 0.938 0.500 CB 1.617 17 residues pruned to eliminate duplicates N: 16 34.758 2.201 0.946 0.883 1.000 0.867 CB 1.515 15 residues pruned to eliminate duplicates O: 18 23.396 2.156 0.485 0.769 0.882 0.824 CA 1.582 P: 16 33.348 2.224 0.806 0.880 1.000 0.867 CB 1.554 16 residues pruned to eliminate duplicates Q: 26 17.574 2.192 0.366 0.576 0.760 0.600 CB 1.435 26 residues pruned to eliminate duplicates R: 16 29.429 2.163 0.665 0.901 1.000 0.933 CB 1.506 16 residues pruned to eliminate duplicates S: 16 29.347 2.155 0.658 0.884 1.000 0.933 CB 1.532 16 residues pruned to eliminate duplicates T: 19 46.215 2.191 1.133 0.852 1.000 0.667 CA 1.724 18 residues pruned to eliminate duplicates U: 35 20.519 2.013 0.457 0.495 0.912 0.529 CB 1.322 30 residues pruned to eliminate duplicates V: 17 51.951 2.435 1.191 0.862 0.938 0.750 CA 1.907 17 residues pruned to eliminate duplicates W: 48 54.510 2.316 0.957 0.626 0.936 0.702 CB 1.665 19 residues pruned to eliminate duplicates X: 16 25.856 2.225 0.369 0.850 1.000 0.733 CA 1.624 18 residues pruned to eliminate duplicates Y: 19 33.153 2.180 0.993 0.743 0.833 0.611 CA 1.736 19 residues pruned to eliminate duplicates Z: 82 57.724 2.239 0.765 0.614 0.963 0.691 CB 1.513 37 residues pruned to eliminate duplicates Z: 15 41.022 2.322 1.112 0.890 1.000 0.643 CB 1.609 16 residues pruned to eliminate duplicates Z: 16 25.734 2.171 0.550 0.879 1.000 0.867 CB 1.431 16 residues pruned to eliminate duplicates Z: 16 25.143 2.235 0.333 0.840 1.000 0.667 CA 1.627 16 residues pruned to eliminate duplicates Z: 15 35.256 2.306 0.606 0.844 1.000 0.643 CA 1.893 15 residues pruned to eliminate duplicates Z: 15 36.096 2.268 0.738 0.877 1.000 0.857 CA 1.778 15 residues pruned to eliminate duplicates Z: 12 20.571 2.272 0.979 0.467 0.909 0.727 CB 1.569 5 residues pruned to eliminate duplicates Z: 85 61.824 2.242 0.797 0.586 0.976 0.679 CB 1.579 82 residues pruned to eliminate duplicates Z: 81 65.170 2.271 0.846 0.595 0.975 0.750 CB 1.628 17 residues pruned to eliminate duplicates Z: 89 55.795 2.168 0.869 0.572 0.898 0.727 CB 1.526 52 residues pruned to eliminate duplicates Z: 18 20.528 2.217 0.833 0.427 0.882 0.647 CB 1.497 18 residues pruned to eliminate duplicates Z: 64 39.094 2.097 0.751 0.544 0.873 0.619 CB 1.472 60 residues pruned to eliminate duplicates Z: 59 51.439 2.327 0.815 0.545 0.948 0.759 CB 1.613 61 residues pruned to eliminate duplicates Z: 81 71.093 2.292 0.944 0.586 0.963 0.713 CB 1.708 81 residues pruned to eliminate duplicates Z: 11 18.434 2.184 0.416 0.872 1.000 0.900 CA 1.374 11 residues pruned to eliminate duplicates Z: 7 8.535 1.945 0.259 0.742 0.833 0.833 CA 1.375 7 residues pruned to eliminate duplicates Z: 11 15.952 2.101 0.744 0.849 0.900 0.500 CB 1.134 17 residues pruned to eliminate duplicates Z: 131 77.374 2.232 0.906 0.612 0.923 0.685 CB 1.554 137 residues pruned to eliminate duplicates Z: 14 29.234 2.349 0.546 0.879 1.000 0.923 CB 1.619 14 residues pruned to eliminate duplicates Z: 40 31.284 2.147 0.611 0.532 0.923 0.641 CB 1.520 41 residues pruned to eliminate duplicates Z: 16 27.989 2.201 0.654 0.790 0.933 0.733 CA 1.649 16 residues pruned to eliminate duplicates Z: 8 20.546 2.190 1.214 0.463 1.000 0.714 CB 1.663 8 residues pruned to eliminate duplicates Z: 14 16.267 2.013 1.042 0.403 0.846 0.538 CB 1.437 Z: 23 20.868 1.929 0.483 0.579 0.909 0.636 CB 1.584 6 residues pruned to eliminate duplicates Z: 6 10.725 2.000 0.291 0.777 1.000 0.600 CB 1.454 6 residues pruned to eliminate duplicates Z: 47 49.877 2.267 0.938 0.539 0.957 0.652 CB 1.684 47 residues pruned to eliminate duplicates Z: 17 41.714 2.442 0.728 0.843 1.000 0.812 CA 1.841 17 residues pruned to eliminate duplicates Z: 14 33.339 2.368 0.625 0.883 1.000 0.692 CA 1.738 14 residues pruned to eliminate duplicates Z: 11 20.808 2.170 0.524 0.898 1.000 0.600 CA 1.424 16 residues pruned to eliminate duplicates Z: 17 32.695 2.253 0.575 0.790 1.000 0.750 CA 1.786 17 residues pruned to eliminate duplicates Z: 16 28.029 2.278 0.387 0.856 1.000 0.800 CA 1.689 16 residues pruned to eliminate duplicates Z: 16 42.608 2.383 1.112 0.765 0.933 0.667 CB 1.852 16 residues pruned to eliminate duplicates Z: 17 39.660 2.274 0.876 0.785 1.000 0.750 CA 1.810 17 residues pruned to eliminate duplicates Z: 12 24.795 2.347 0.559 0.872 0.909 0.636 CB 1.638 12 residues pruned to eliminate duplicates Z: 62 53.545 2.312 0.831 0.585 0.918 0.721 CB 1.625 62 residues pruned to eliminate duplicates Z: 11 18.835 2.119 0.859 0.862 0.900 0.700 CB 1.233 11 residues pruned to eliminate duplicates Z: 37 39.404 2.259 0.848 0.500 0.944 0.694 CB 1.665 37 residues pruned to eliminate duplicates Z: 11 24.555 2.123 0.905 0.764 1.000 0.800 CA 1.519 Z: 17 22.794 2.221 0.489 0.770 0.812 0.688 CB 1.671 17 residues pruned to eliminate duplicates Z: 20 30.807 2.146 0.778 0.792 0.895 0.579 CA 1.602 20 residues pruned to eliminate duplicates Z: 17 33.140 2.264 0.745 0.822 0.938 0.688 CB 1.691 17 residues pruned to eliminate duplicates Z: 15 35.278 2.321 0.962 0.852 0.857 0.571 CA 1.786 15 residues pruned to eliminate duplicates Z: 25 24.258 1.957 0.911 0.584 0.875 0.667 CB 1.396 11 residues pruned to eliminate duplicates Z: 41 47.828 2.292 0.966 0.630 0.900 0.725 CB 1.649 41 residues pruned to eliminate duplicates Z: 10 20.307 2.119 0.504 0.871 1.000 0.889 CB 1.549 10 residues pruned to eliminate duplicates Z: 26 24.021 1.872 0.571 0.597 0.960 0.680 CB 1.551 24 residues pruned to eliminate duplicates Z: 11 21.387 2.170 0.586 0.879 1.000 0.700 CA 1.425 11 residues pruned to eliminate duplicates Z: 18 29.398 2.208 0.552 0.787 1.000 0.706 CA 1.616 18 residues pruned to eliminate duplicates Z: 16 50.611 2.452 1.212 0.816 1.000 0.733 CA 1.832 16 residues pruned to eliminate duplicates Z: 11 23.012 2.295 1.004 0.442 1.000 0.700 CB 1.679 11 residues pruned to eliminate duplicates Z: 34 39.450 2.199 0.905 0.527 0.970 0.727 CB 1.646 34 residues pruned to eliminate duplicates Z: 11 17.403 2.148 0.347 0.890 1.000 0.800 CA 1.368 11 residues pruned to eliminate duplicates Z: 40 37.692 2.228 0.928 0.526 0.872 0.667 CB 1.571 40 residues pruned to eliminate duplicates Z: 30 24.228 2.106 0.496 0.553 1.000 0.690 CB 1.356 30 residues pruned to eliminate duplicates Z: 38 19.533 1.942 0.522 0.451 0.865 0.514 CB 1.321 38 residues pruned to eliminate duplicates Z: 12 23.870 2.264 1.125 0.469 0.909 0.727 CB 1.697 12 residues pruned to eliminate duplicates Z: 10 17.565 2.106 0.394 0.877 1.000 0.889 CB 1.448 10 residues pruned to eliminate duplicates Z: 100 65.287 2.252 0.812 0.574 0.939 0.606 CB 1.593 100 residues pruned to eliminate duplicates Z: 98 62.103 2.261 0.712 0.571 0.959 0.660 CB 1.587 98 residues pruned to eliminate duplicates Z: 54 41.248 2.259 0.689 0.597 0.887 0.660 CB 1.527 54 residues pruned to eliminate duplicates Z: 17 27.332 2.175 0.661 0.778 0.875 0.812 CA 1.691 17 residues pruned to eliminate duplicates Z: 23 23.035 1.912 0.785 0.618 0.955 0.727 CB 1.349 24 residues pruned to eliminate duplicates Z: 11 27.630 2.360 1.040 0.509 1.000 0.800 CB 1.800 11 residues pruned to eliminate duplicates Z: 15 23.655 2.224 1.113 0.495 0.857 0.714 CB 1.578 15 residues pruned to eliminate duplicates Z: 16 26.565 2.219 0.382 0.851 0.933 0.800 CA 1.775 16 residues pruned to eliminate duplicates Z: 87 65.536 2.261 0.906 0.570 0.930 0.674 CB 1.648 87 residues pruned to eliminate duplicates Z: 17 29.675 2.249 0.567 0.778 0.938 0.688 CB 1.757 17 residues pruned to eliminate duplicates Z: 6 4.880 1.731 -0.115 0.784 0.800 0.600 CB 1.387 6 residues pruned to eliminate duplicates Z: 12 26.606 2.325 1.146 0.614 0.818 0.818 CB 1.763 12 residues pruned to eliminate duplicates Z: 17 37.681 2.329 0.922 0.843 0.875 0.688 CA 1.790 17 residues pruned to eliminate duplicates Z: 31 36.319 2.277 0.744 0.645 0.900 0.667 CB 1.620 31 residues pruned to eliminate duplicates Z: 32 50.939 2.306 0.976 0.688 0.968 0.645 CB 1.747 32 residues pruned to eliminate duplicates Z: 26 19.025 1.804 0.485 0.588 0.920 0.560 CB 1.419 26 residues pruned to eliminate duplicates Z: 18 43.897 2.314 1.037 0.809 0.941 0.824 CA 1.833 18 residues pruned to eliminate duplicates Z: 88 55.999 2.192 0.864 0.552 0.908 0.655 CB 1.539 88 residues pruned to eliminate duplicates Z: 30 24.237 1.970 0.681 0.479 0.931 0.621 CB 1.491 30 residues pruned to eliminate duplicates Z: 45 56.962 2.293 1.017 0.666 0.932 0.659 CB 1.709 45 residues pruned to eliminate duplicates Z: 10 18.391 2.135 1.017 0.528 0.889 0.667 CA 1.558 10 residues pruned to eliminate duplicates Z: 81 53.545 2.256 0.713 0.600 0.950 0.725 CB 1.483 81 residues pruned to eliminate duplicates Z: 15 36.347 2.333 1.008 0.871 0.857 0.786 CA 1.765 15 residues pruned to eliminate duplicates Z: 19 36.898 2.199 0.910 0.808 0.889 0.611 CA 1.781 19 residues pruned to eliminate duplicates Z: 9 18.260 2.162 0.447 0.899 1.000 1.000 CB 1.475 9 residues pruned to eliminate duplicates Z: 15 36.821 2.339 0.808 0.888 1.000 0.786 CB 1.676 15 residues pruned to eliminate duplicates Z: 133 76.198 2.236 0.871 0.582 0.917 0.689 CB 1.599 133 residues pruned to eliminate duplicates Z: 30 21.870 2.101 0.435 0.514 0.897 0.586 CB 1.481 30 residues pruned to eliminate duplicates Z: 32 36.078 2.009 0.975 0.595 1.000 0.645 CB 1.491 33 residues pruned to eliminate duplicates Z: 25 27.087 2.081 0.635 0.565 0.958 0.625 CA 1.592 25 residues pruned to eliminate duplicates Z: 124 65.297 2.205 0.736 0.569 0.951 0.650 CB 1.513 120 residues pruned to eliminate duplicates Z: 11 25.252 2.146 1.094 0.525 1.000 0.700 CB 1.733 11 residues pruned to eliminate duplicates Z: 33 42.164 2.266 0.899 0.561 0.969 0.781 CB 1.685 33 residues pruned to eliminate duplicates Z: 13 22.787 2.212 0.887 0.484 0.917 0.667 CB 1.748 13 residues pruned to eliminate duplicates Z: 22 19.415 2.090 0.850 0.359 0.857 0.524 CB 1.489 22 residues pruned to eliminate duplicates Z: 39 28.662 2.133 0.507 0.494 0.947 0.658 CB 1.536 39 residues pruned to eliminate duplicates Z: 10 16.400 2.166 0.378 0.833 0.889 0.667 CB 1.546 10 residues pruned to eliminate duplicates Z: 86 53.102 2.236 0.695 0.566 0.918 0.659 CB 1.553 86 residues pruned to eliminate duplicates Z: 7 15.531 2.054 0.450 0.818 1.000 0.667 C 1.614 7 residues pruned to eliminate duplicates Z: 23 27.904 1.997 0.929 0.638 0.909 0.727 CB 1.493 22 residues pruned to eliminate duplicates Z: 36 46.953 2.259 1.025 0.541 1.000 0.629 CB 1.666 36 residues pruned to eliminate duplicates Z: 14 39.536 2.383 0.999 0.866 1.000 0.846 CB 1.686 14 residues pruned to eliminate duplicates Z: 10 18.608 2.261 0.438 0.862 0.889 0.667 CA 1.576 10 residues pruned to eliminate duplicates Z: 23 27.014 1.943 0.998 0.592 0.955 0.818 CA 1.424 23 residues pruned to eliminate duplicates Z: 15 29.450 2.317 0.820 0.583 0.929 0.786 CB 1.856 15 residues pruned to eliminate duplicates Z: 27 22.246 1.891 0.832 0.542 0.885 0.577 CB 1.366 27 residues pruned to eliminate duplicates Z: 21 26.962 2.040 0.924 0.643 0.900 0.750 CB 1.493 21 residues pruned to eliminate duplicates Z: 12 17.381 1.885 0.563 0.902 1.000 0.818 CA 1.268 12 residues pruned to eliminate duplicates Z: 10 11.837 1.867 0.186 0.815 1.000 0.778 CB 1.355 10 residues pruned to eliminate duplicates Z: 11 14.349 2.126 0.507 0.838 0.800 0.800 CB 1.324 11 residues pruned to eliminate duplicates Z: 33 41.172 2.205 1.024 0.548 0.969 0.750 CB 1.607 33 residues pruned to eliminate duplicates Z: 10 19.022 2.123 0.450 0.903 1.000 1.000 CB 1.467 10 residues pruned to eliminate duplicates Z: 8 7.979 1.730 0.158 0.783 0.857 0.714 O 1.368 8 residues pruned to eliminate duplicates Z: 19 7.996 1.774 0.248 0.485 0.833 0.389 CB 1.037 19 residues pruned to eliminate duplicates Z: 10 17.345 2.141 0.274 0.920 1.000 0.889 CB 1.492 10 residues pruned to eliminate duplicates Z: 86 66.629 2.255 0.863 0.618 0.918 0.647 CB 1.678 86 residues pruned to eliminate duplicates Z: 32 26.981 2.078 1.029 0.423 0.871 0.516 CB 1.429 32 residues pruned to eliminate duplicates Z: 13 17.463 1.920 0.476 0.840 0.917 0.750 CB 1.448 13 residues pruned to eliminate duplicates Z: 50 37.232 2.200 0.714 0.614 0.898 0.653 CB 1.410 50 residues pruned to eliminate duplicates Z: 15 30.052 2.247 0.739 0.884 1.000 0.643 CB 1.485 15 residues pruned to eliminate duplicates Z: 15 35.020 2.306 0.813 0.887 1.000 1.000 CB 1.615 15 residues pruned to eliminate duplicates Z: 45 52.471 2.328 0.773 0.630 0.977 0.773 CB 1.734 45 residues pruned to eliminate duplicates Z: 18 12.190 1.839 0.316 0.486 0.941 0.412 CB 1.317 18 residues pruned to eliminate duplicates Z: 20 34.257 2.110 0.782 0.786 0.947 0.737 CA 1.716 20 residues pruned to eliminate duplicates Z: 18 22.823 2.195 0.624 0.523 1.000 0.647 CB 1.518 18 residues pruned to eliminate duplicates Z: 47 48.967 2.234 1.093 0.470 0.978 0.630 CB 1.627 47 residues pruned to eliminate duplicates Z: 31 30.739 2.168 0.749 0.570 0.900 0.700 CB 1.537 31 residues pruned to eliminate duplicates Z: 38 39.387 2.182 0.755 0.613 0.946 0.757 CB 1.606 38 residues pruned to eliminate duplicates Z: 37 41.544 2.221 0.991 0.511 0.917 0.639 CB 1.690 37 residues pruned to eliminate duplicates Z: 9 16.013 2.022 0.491 0.615 1.000 0.875 CB 1.684 9 residues pruned to eliminate duplicates Z: 18 29.045 2.207 0.619 0.762 0.941 0.529 CA 1.660 18 residues pruned to eliminate duplicates Z: 15 33.084 2.325 0.722 0.874 0.929 0.786 CB 1.731 15 residues pruned to eliminate duplicates Z: 10 12.219 2.184 0.225 0.630 0.889 0.778 CB 1.516 10 residues pruned to eliminate duplicates Z: 48 48.973 2.255 0.855 0.602 0.915 0.702 CB 1.694 48 residues pruned to eliminate duplicates Z: 22 25.055 2.022 0.872 0.612 0.905 0.619 CB 1.435 25 residues pruned to eliminate duplicates Z: 91 54.489 2.210 0.846 0.473 0.900 0.600 CB 1.607 91 residues pruned to eliminate duplicates Z: 8 11.816 1.879 0.370 0.766 1.000 0.571 CA 1.371 8 residues pruned to eliminate duplicates Z: 7 14.509 1.936 0.589 0.881 1.000 0.833 CA 1.394 7 residues pruned to eliminate duplicates Z: 118 79.557 2.318 0.873 0.573 0.932 0.658 CB 1.694 118 residues pruned to eliminate duplicates Z: 16 24.457 2.282 0.527 0.779 0.867 0.800 CB 1.636 16 residues pruned to eliminate duplicates Z: 11 14.281 2.062 0.471 0.877 0.900 0.800 CB 1.202 11 residues pruned to eliminate duplicates Z: 97 63.335 2.273 0.778 0.579 0.948 0.708 CB 1.564 97 residues pruned to eliminate duplicates Z: 37 38.210 2.217 0.949 0.525 0.861 0.639 CB 1.670 37 residues pruned to eliminate duplicates Z: 11 28.413 2.018 1.266 0.740 1.000 0.800 CB 1.584 12 residues pruned to eliminate duplicates Z: 17 23.944 2.234 0.446 0.785 0.875 0.688 CB 1.648 17 residues pruned to eliminate duplicates Z: 31 38.354 2.222 0.827 0.657 0.933 0.733 CB 1.598 31 residues pruned to eliminate duplicates Z: 6 3.359 1.838 -0.402 0.753 1.000 0.600 CB 1.090 6 residues pruned to eliminate duplicates Z: 32 25.425 1.986 0.542 0.523 0.968 0.677 CB 1.506 32 residues pruned to eliminate duplicates Z: 23 23.634 1.936 0.603 0.578 0.955 0.636 C 1.578 23 residues pruned to eliminate duplicates Z: 131 79.818 2.302 0.811 0.603 0.915 0.677 CB 1.662 131 residues pruned to eliminate duplicates Z: 11 26.386 2.357 0.945 0.477 1.000 0.800 CB 1.862 11 residues pruned to eliminate duplicates Z: 6 7.171 1.606 0.610 0.716 0.800 0.600 CB 1.275 6 residues pruned to eliminate duplicates Z: 15 29.867 2.263 0.842 0.878 0.929 0.429 CB 1.497 15 residues pruned to eliminate duplicates Z: 11 18.158 2.093 0.700 0.876 0.900 0.800 CB 1.303 11 residues pruned to eliminate duplicates Z: 98 61.577 2.232 0.863 0.585 0.938 0.732 CB 1.478 93 residues pruned to eliminate duplicates Z: 12 24.415 2.326 0.744 0.513 1.000 0.727 CB 1.792 12 residues pruned to eliminate duplicates Z: 6 4.334 1.930 -0.071 0.486 1.000 0.400 CA 1.096 4 residues pruned to eliminate duplicates Z: 81 57.230 2.265 0.746 0.579 0.925 0.650 CB 1.620 81 residues pruned to eliminate duplicates Z: 10 17.836 2.139 0.391 0.902 1.000 0.778 CB 1.426 10 residues pruned to eliminate duplicates Z: 12 25.949 2.235 1.167 0.614 0.818 0.636 CB 1.773 12 residues pruned to eliminate duplicates Z: 18 35.384 2.238 0.978 0.748 0.941 0.529 CB 1.650 18 residues pruned to eliminate duplicates Z: 17 9.026 1.853 0.750 0.287 0.688 0.438 CB 1.286 17 residues pruned to eliminate duplicates Z: 34 22.134 2.032 0.515 0.467 0.939 0.545 CB 1.379 34 residues pruned to eliminate duplicates Z: 10 14.633 2.086 0.463 0.872 1.000 0.556 CB 1.166 10 residues pruned to eliminate duplicates Z: 18 27.881 2.219 0.589 0.808 0.882 0.765 CA 1.662 18 residues pruned to eliminate duplicates Z: 82 62.488 2.258 0.864 0.582 0.938 0.716 CB 1.625 82 residues pruned to eliminate duplicates Z: 81 59.573 2.270 0.806 0.566 0.938 0.713 CB 1.625 81 residues pruned to eliminate duplicates Z: 10 14.326 1.993 0.206 0.885 1.000 0.778 CB 1.434 10 residues pruned to eliminate duplicates Z: 18 34.327 2.310 0.824 0.832 0.882 0.765 CA 1.682 18 residues pruned to eliminate duplicates Z: 67 50.087 2.291 0.821 0.526 0.909 0.712 CB 1.584 67 residues pruned to eliminate duplicates Z: 11 12.763 1.876 0.884 0.421 0.900 0.600 CA 1.377 11 residues pruned to eliminate duplicates Z: 84 58.656 2.235 0.801 0.578 0.940 0.639 CB 1.580 84 residues pruned to eliminate duplicates Z: 11 12.907 2.017 0.532 0.866 0.800 0.700 CB 1.209 11 residues pruned to eliminate duplicates Z: 12 17.120 1.946 0.490 0.745 1.000 0.818 CB 1.431 12 residues pruned to eliminate duplicates Z: 23 23.505 2.091 0.794 0.461 0.864 0.682 CB 1.610 23 residues pruned to eliminate duplicates Z: 50 45.992 2.284 0.718 0.642 0.939 0.694 CB 1.561 50 residues pruned to eliminate duplicates Z: 24 21.647 1.961 0.840 0.541 0.870 0.696 CB 1.382 23 residues pruned to eliminate duplicates Z: 85 58.546 2.267 0.756 0.591 0.917 0.714 CB 1.605 85 residues pruned to eliminate duplicates Z: 21 19.526 2.074 0.781 0.477 0.800 0.550 CB 1.512 15 residues pruned to eliminate duplicates Z: 29 57.300 2.439 1.068 0.718 0.964 0.714 CB 1.828 29 residues pruned to eliminate duplicates Z: 17 24.668 2.248 0.342 0.762 0.938 0.625 CA 1.727 17 residues pruned to eliminate duplicates Z: 12 26.410 2.174 1.116 0.479 1.000 0.636 CB 1.768 12 residues pruned to eliminate duplicates Z: 10 15.753 2.080 0.788 0.869 0.778 0.556 CB 1.327 10 residues pruned to eliminate duplicates Z: 82 66.016 2.258 0.867 0.590 0.951 0.741 CB 1.680 81 residues pruned to eliminate duplicates Z: 26 18.382 1.822 0.506 0.570 0.920 0.520 CB 1.361 26 residues pruned to eliminate duplicates Z: 31 44.445 2.272 1.012 0.588 0.967 0.800 CB 1.688 31 residues pruned to eliminate duplicates Z: 83 58.699 2.257 0.755 0.595 0.939 0.683 CB 1.592 83 residues pruned to eliminate duplicates Z: 14 13.777 1.867 0.238 0.860 0.923 0.615 CB 1.316 14 residues pruned to eliminate duplicates Z: 10 21.528 2.162 0.582 0.922 1.000 0.889 CB 1.475 10 residues pruned to eliminate duplicates Z: 14 8.777 1.794 0.553 0.247 0.923 0.615 CB 1.268 14 residues pruned to eliminate duplicates Z: 32 35.750 2.207 0.754 0.622 0.839 0.645 CB 1.763 32 residues pruned to eliminate duplicates Z: 9 22.839 2.239 1.086 0.506 1.000 0.750 CB 1.718 9 residues pruned to eliminate duplicates Z: 12 11.798 1.789 0.221 0.782 0.909 0.727 CA 1.398 12 residues pruned to eliminate duplicates Z: 9 15.701 2.080 0.560 0.519 1.000 0.750 CA 1.678 9 residues pruned to eliminate duplicates Z: 46 52.047 2.296 0.841 0.652 0.933 0.733 CB 1.707 47 residues pruned to eliminate duplicates Z: 38 40.066 2.190 1.040 0.532 0.892 0.757 CB 1.602 38 residues pruned to eliminate duplicates Z: 38 28.211 2.037 0.858 0.498 0.838 0.649 CB 1.466 38 residues pruned to eliminate duplicates Z: 42 33.404 2.176 0.717 0.531 0.902 0.610 CB 1.501 42 residues pruned to eliminate duplicates Z: 17 22.320 2.206 0.919 0.436 0.875 0.562 CB 1.609 17 residues pruned to eliminate duplicates Z: 16 36.485 2.330 0.598 0.874 1.000 0.733 CA 1.841 16 residues pruned to eliminate duplicates Z: 81 57.232 2.249 0.783 0.588 0.925 0.663 CB 1.586 81 residues pruned to eliminate duplicates Z: 47 51.598 2.258 0.970 0.619 0.891 0.630 CB 1.715 47 residues pruned to eliminate duplicates Z: 39 34.522 2.158 0.798 0.511 0.921 0.658 CB 1.550 39 residues pruned to eliminate duplicates Z: 47 56.800 2.348 0.939 0.630 0.935 0.696 CB 1.742 47 residues pruned to eliminate duplicates Z: 7 11.269 1.836 0.448 0.803 1.000 0.667 CA 1.328 7 residues pruned to eliminate duplicates Z: 12 19.781 1.925 0.872 0.655 0.909 0.727 C 1.575 12 residues pruned to eliminate duplicates Z: 7 4.752 1.339 0.685 0.646 1.000 0.500 CB 0.751 7 residues pruned to eliminate duplicates Z: 130 81.587 2.293 0.814 0.581 0.953 0.651 CB 1.675 135 residues pruned to eliminate duplicates Z: 33 29.486 2.005 0.702 0.516 0.969 0.500 CB 1.552 32 residues pruned to eliminate duplicates Z: 17 33.320 2.144 0.711 0.852 1.000 0.688 CA 1.679 17 residues pruned to eliminate duplicates Z: 7 7.422 1.627 0.234 0.886 0.833 0.667 C 1.307 7 residues pruned to eliminate duplicates Z: 47 47.082 2.166 0.992 0.545 0.957 0.739 CB 1.609 47 residues pruned to eliminate duplicates Z: 80 58.804 2.241 0.799 0.589 0.949 0.671 CB 1.587 80 residues pruned to eliminate duplicates Z: 9 18.156 2.175 0.398 0.884 1.000 0.625 CA 1.525 9 residues pruned to eliminate duplicates Z: 23 28.993 2.183 0.664 0.539 1.000 0.818 CB 1.639 23 residues pruned to eliminate duplicates Z: 11 15.289 1.939 0.363 0.882 1.000 0.700 CB 1.324 11 residues pruned to eliminate duplicates Z: 6 3.803 1.645 -0.094 0.734 0.800 0.800 CA 1.155 6 residues pruned to eliminate duplicates Z: 16 32.657 2.308 0.778 0.782 0.933 0.733 CA 1.717 16 residues pruned to eliminate duplicates Z: 20 12.951 1.842 0.544 0.573 0.789 0.421 CB 1.232 20 residues pruned to eliminate duplicates Z: 35 38.881 2.171 0.968 0.552 0.971 0.706 CB 1.528 35 residues pruned to eliminate duplicates Z: 28 30.405 2.199 0.570 0.618 1.000 0.556 CB 1.516 28 residues pruned to eliminate duplicates Z: 10 20.635 2.112 0.616 0.896 1.000 0.778 CB 1.444 10 residues pruned to eliminate duplicates Z: 16 17.621 2.242 0.433 0.532 0.867 0.733 CB 1.584 16 residues pruned to eliminate duplicates Z: 19 35.269 2.204 0.829 0.772 0.889 0.611 CA 1.825 19 residues pruned to eliminate duplicates Z: 12 16.490 1.952 0.540 0.864 0.909 0.636 CB 1.334 12 residues pruned to eliminate duplicates Z: 19 17.813 2.187 0.728 0.479 0.833 0.667 CB 1.362 19 residues pruned to eliminate duplicates Z: 12 23.820 2.246 0.801 0.708 0.909 0.909 CB 1.617 12 residues pruned to eliminate duplicates Z: 34 45.420 2.246 0.912 0.588 1.000 0.727 CB 1.693 34 residues pruned to eliminate duplicates Z: 10 17.484 1.932 0.994 0.708 1.000 0.667 CB 1.252 Z: 33 54.452 2.377 0.982 0.665 1.000 0.656 CA 1.755 35 residues pruned to eliminate duplicates Z: 23 24.747 1.973 1.109 0.570 0.818 0.773 CB 1.448 23 residues pruned to eliminate duplicates Z: 6 5.912 1.541 0.181 0.793 1.000 0.800 CA 1.124 6 residues pruned to eliminate duplicates Z: 123 58.828 2.210 0.625 0.545 0.918 0.639 CB 1.546 123 residues pruned to eliminate duplicates Z: 18 27.017 2.093 0.836 0.571 1.000 0.765 CB 1.592 18 residues pruned to eliminate duplicates Z: 6 6.402 2.031 0.724 0.481 0.600 0.600 CB 1.388 6 residues pruned to eliminate duplicates Z: 13 19.520 2.288 0.770 0.426 0.917 0.667 CA 1.639 13 residues pruned to eliminate duplicates Z: 28 16.604 2.102 0.424 0.474 0.889 0.556 CB 1.233 28 residues pruned to eliminate duplicates Z: 32 24.576 2.092 0.411 0.547 1.000 0.581 CB 1.428 32 residues pruned to eliminate duplicates Z: 6 8.775 1.871 1.261 0.622 0.800 0.600 CB 1.034 6 residues pruned to eliminate duplicates Z: 10 11.481 1.698 0.560 0.693 1.000 1.000 CB 1.211 Z: 29 34.459 2.181 0.892 0.570 0.964 0.750 CB 1.529 29 residues pruned to eliminate duplicates Z: 15 28.828 2.205 0.918 0.897 0.929 0.929 CB 1.404 15 residues pruned to eliminate duplicates Z: 46 43.591 2.284 0.727 0.594 0.889 0.733 CB 1.695 46 residues pruned to eliminate duplicates Z: 13 21.454 2.105 1.044 0.493 0.917 0.667 CB 1.581 13 residues pruned to eliminate duplicates Z: 34 21.889 2.074 0.269 0.527 0.939 0.576 CB 1.500 34 residues pruned to eliminate duplicates Z: 10 14.770 2.016 0.344 0.914 1.000 0.889 CB 1.285 10 residues pruned to eliminate duplicates Z: 25 23.853 2.202 0.578 0.472 0.917 0.667 CB 1.572 24 residues pruned to eliminate duplicates Z: 15 33.581 2.210 1.006 0.885 1.000 0.571 CB 1.461 15 residues pruned to eliminate duplicates Z: 11 14.692 2.095 0.581 0.823 0.800 0.500 CA 1.325 11 residues pruned to eliminate duplicates Z: 45 34.302 2.167 0.737 0.577 0.886 0.636 CB 1.440 45 residues pruned to eliminate duplicates Z: 10 16.651 2.083 0.380 0.897 1.000 0.778 CB 1.383 10 residues pruned to eliminate duplicates Z: 16 12.158 1.748 0.718 0.633 0.800 0.733 CA 1.153 14 residues pruned to eliminate duplicates Z: 40 37.985 2.195 0.822 0.498 0.974 0.692 CB 1.565 40 residues pruned to eliminate duplicates Z: 11 16.223 2.003 0.661 0.895 0.900 0.600 CB 1.228 11 residues pruned to eliminate duplicates Z: 84 63.490 2.243 0.848 0.554 0.964 0.699 CB 1.656 84 residues pruned to eliminate duplicates Z: 21 24.835 2.127 0.744 0.546 0.950 0.750 CB 1.506 21 residues pruned to eliminate duplicates Z: 23 41.817 2.349 0.848 0.678 1.000 0.682 CA 1.744 23 residues pruned to eliminate duplicates Z: 18 36.869 2.279 0.773 0.806 1.000 0.647 CA 1.694 18 residues pruned to eliminate duplicates Z: 24 16.247 1.692 0.794 0.613 0.913 0.696 CB 1.098 23 residues pruned to eliminate duplicates Z: 76 53.436 2.223 0.734 0.594 0.933 0.653 CB 1.568 76 residues pruned to eliminate duplicates Z: 34 29.135 2.140 0.533 0.652 0.879 0.576 CB 1.526 34 residues pruned to eliminate duplicates Z: 26 35.166 2.243 0.866 0.567 0.960 0.680 CB 1.642 26 residues pruned to eliminate duplicates Z: 20 17.697 2.035 0.247 0.531 0.947 0.737 CA 1.637 20 residues pruned to eliminate duplicates Z: 17 37.803 2.353 0.881 0.796 0.938 0.438 CB 1.758 17 residues pruned to eliminate duplicates Z: 13 11.314 1.777 0.438 0.550 0.917 0.500 CA 1.328 13 residues pruned to eliminate duplicates Z: 6 13.221 1.995 0.451 0.874 1.000 0.800 CA 1.486 6 residues pruned to eliminate duplicates Z: 12 9.102 1.759 0.537 0.467 1.000 0.636 CB 1.049 12 residues pruned to eliminate duplicates Z: 12 27.353 2.249 1.138 0.651 0.909 0.727 CA 1.639 12 residues pruned to eliminate duplicates Z: 11 17.323 1.931 0.500 0.916 1.000 0.900 CB 1.335 11 residues pruned to eliminate duplicates Z: 73 46.928 2.139 0.853 0.534 0.917 0.653 CB 1.472 73 residues pruned to eliminate duplicates Z: 23 16.313 1.728 0.654 0.628 0.955 0.864 CB 1.131 23 residues pruned to eliminate duplicates Z: 7 3.397 1.645 0.065 0.396 0.833 0.667 CB 1.061 7 residues pruned to eliminate duplicates Z: 10 8.200 1.584 0.311 0.671 1.000 0.889 CB 1.123 10 residues pruned to eliminate duplicates Z: 7 11.758 2.193 0.264 0.838 0.833 0.500 CB 1.554 7 residues pruned to eliminate duplicates Z: 11 14.552 1.885 0.400 0.784 1.000 0.800 CB 1.359 11 residues pruned to eliminate duplicates Z: 17 21.432 2.141 0.929 0.489 0.875 0.625 CB 1.500 17 residues pruned to eliminate duplicates Z: 63 48.324 2.194 0.976 0.517 0.887 0.597 CB 1.570 63 residues pruned to eliminate duplicates Z: 20 23.622 2.071 0.404 0.586 1.000 0.737 CA 1.717 20 residues pruned to eliminate duplicates Z: 28 27.524 2.095 0.768 0.486 0.889 0.667 CB 1.632 28 residues pruned to eliminate duplicates Z: 17 24.362 2.089 0.591 0.877 0.875 0.500 CA 1.521 17 residues pruned to eliminate duplicates Z: 71 57.421 2.289 0.772 0.573 0.943 0.729 CB 1.672 71 residues pruned to eliminate duplicates Z: 10 14.341 2.060 0.343 0.909 1.000 1.000 CB 1.226 10 residues pruned to eliminate duplicates Z: 11 28.840 2.150 1.137 0.805 0.900 0.900 CB 1.690 11 residues pruned to eliminate duplicates Z: 25 22.797 2.180 0.777 0.435 0.875 0.667 CB 1.468 25 residues pruned to eliminate duplicates Z: 23 18.449 1.994 0.696 0.518 0.773 0.455 CB 1.478 23 residues pruned to eliminate duplicates Z: 26 12.197 1.910 0.269 0.490 0.880 0.480 CB 1.155 26 residues pruned to eliminate duplicates Z: 86 51.986 2.171 0.800 0.576 0.918 0.682 CB 1.462 86 residues pruned to eliminate duplicates Z: 6 3.302 1.454 0.500 0.515 0.800 0.600 CA 0.834 Z: 24 20.542 2.115 0.679 0.441 0.783 0.565 CB 1.638 24 residues pruned to eliminate duplicates Z: 52 32.988 1.963 0.701 0.578 0.902 0.510 CB 1.423 52 residues pruned to eliminate duplicates Z: 81 59.511 2.239 0.820 0.609 0.925 0.688 CB 1.592 81 residues pruned to eliminate duplicates Z: 91 56.826 2.182 0.860 0.550 0.911 0.667 CB 1.542 91 residues pruned to eliminate duplicates Z: 17 22.170 2.157 0.739 0.678 0.938 0.688 CB 1.338 17 residues pruned to eliminate duplicates Z: 12 22.019 2.106 0.906 0.572 0.909 0.727 CA 1.697 12 residues pruned to eliminate duplicates Z: 33 23.680 2.032 0.478 0.571 0.938 0.594 CB 1.389 33 residues pruned to eliminate duplicates Z: 17 23.190 1.966 0.715 0.605 0.938 0.750 C 1.659 17 residues pruned to eliminate duplicates Z: 15 11.857 1.655 0.532 0.655 0.929 0.714 CA 1.165 15 residues pruned to eliminate duplicates Z: 23 23.655 1.970 0.903 0.599 0.864 0.818 CB 1.418 23 residues pruned to eliminate duplicates Z: 97 71.873 2.250 0.992 0.576 0.958 0.688 CB 1.587 96 residues pruned to eliminate duplicates Z: 31 17.737 2.011 0.664 0.366 0.867 0.467 CB 1.289 31 residues pruned to eliminate duplicates Z: 13 11.181 1.898 0.291 0.828 0.833 0.667 CB 1.190 13 residues pruned to eliminate duplicates Z: 6 2.814 1.554 -0.181 0.473 1.000 0.800 CB 1.016 6 residues pruned to eliminate duplicates Z: 20 47.193 2.369 1.021 0.755 1.000 0.632 CA 1.803 20 residues pruned to eliminate duplicates Z: 110 67.901 2.201 0.889 0.568 0.936 0.734 CB 1.564 112 residues pruned to eliminate duplicates 7 1.982 1.688 0.145 0.323 0.833 0.333 CB 0.610 ? Z: 25 44.113 2.371 0.816 0.774 0.958 0.792 CB 1.713 25 residues pruned to eliminate duplicates Z: 33 35.484 2.154 0.959 0.460 0.938 0.688 CB 1.652 33 residues pruned to eliminate duplicates Z: 41 26.472 2.125 0.768 0.460 0.850 0.675 CB 1.366 41 residues pruned to eliminate duplicates Z: 9 7.549 1.936 0.417 0.384 0.750 0.500 CA 1.468 9 residues pruned to eliminate duplicates Z: 23 16.532 1.719 0.797 0.595 0.909 0.682 CB 1.146 23 residues pruned to eliminate duplicates Z: 44 37.346 2.117 0.751 0.632 0.907 0.581 CB 1.496 44 residues pruned to eliminate duplicates Z: 22 23.634 2.253 0.372 0.569 0.952 0.619 CB 1.639 22 residues pruned to eliminate duplicates Z: 12 11.243 1.925 0.743 0.394 0.818 0.636 CB 1.382 12 residues pruned to eliminate duplicates Z: 69 36.142 2.128 0.568 0.590 0.882 0.485 CB 1.366 69 residues pruned to eliminate duplicates Z: 13 17.512 2.154 0.407 0.695 1.000 0.750 CB 1.397 13 residues pruned to eliminate duplicates Z: 40 29.450 2.152 0.577 0.513 0.897 0.615 CB 1.529 40 residues pruned to eliminate duplicates Z: 15 7.407 1.494 0.557 0.384 0.929 0.643 CB 1.036 15 residues pruned to eliminate duplicates Z: 44 56.286 2.312 0.944 0.661 0.953 0.791 CB 1.726 44 residues pruned to eliminate duplicates Z: 10 10.442 1.864 0.670 0.588 1.000 0.778 CB 1.028 9 residues pruned to eliminate duplicates Z: 31 49.877 2.316 0.987 0.700 0.933 0.700 CA 1.767 31 residues pruned to eliminate duplicates Z: 41 29.465 2.100 0.541 0.566 0.950 0.525 CB 1.422 41 residues pruned to eliminate duplicates Z: 10 4.772 1.590 0.507 0.582 0.667 0.667 CB 0.921 Z: 51 34.413 2.158 0.670 0.577 0.860 0.700 CB 1.458 51 residues pruned to eliminate duplicates Z: 90 48.717 2.143 0.801 0.521 0.888 0.607 CB 1.477 90 residues pruned to eliminate duplicates Z: 13 21.588 2.097 0.628 0.705 1.000 0.750 CA 1.516 13 residues pruned to eliminate duplicates Z: 16 19.936 2.047 0.331 0.625 1.000 0.667 C 1.680 16 residues pruned to eliminate duplicates Z: 30 49.991 2.338 0.968 0.681 0.966 0.724 CB 1.770 30 residues pruned to eliminate duplicates Z: 11 24.752 2.043 1.266 0.591 0.900 0.800 CA 1.722 12 residues pruned to eliminate duplicates Z: 29 27.819 2.156 0.648 0.522 0.929 0.643 CB 1.559 29 residues pruned to eliminate duplicates Z: 100 70.426 2.227 1.017 0.574 0.939 0.758 CB 1.562 98 residues pruned to eliminate duplicates Z: 35 46.146 2.303 0.940 0.554 0.971 0.706 CB 1.731 35 residues pruned to eliminate duplicates Z: 30 40.557 2.242 1.031 0.605 0.966 0.828 CB 1.551 30 residues pruned to eliminate duplicates Z: 6 5.211 1.666 0.289 0.595 0.800 0.600 N 1.239 Z: 46 36.138 2.192 0.762 0.608 0.867 0.667 CB 1.452 46 residues pruned to eliminate duplicates Z: 32 23.531 2.054 0.707 0.497 0.839 0.548 CB 1.441 31 residues pruned to eliminate duplicates Z: 11 3.031 1.542 0.139 0.327 0.800 0.400 CB 0.825 11 residues pruned to eliminate duplicates Z: 16 27.613 2.192 0.662 0.812 0.933 0.867 CA 1.598 16 residues pruned to eliminate duplicates Z: 10 8.554 1.549 0.624 0.609 1.000 0.889 CB 1.022 10 residues pruned to eliminate duplicates Z: 74 51.892 2.200 0.811 0.585 0.932 0.671 CB 1.509 74 residues pruned to eliminate duplicates Z: 57 45.501 2.169 1.029 0.519 0.911 0.768 CB 1.488 57 residues pruned to eliminate duplicates 7 1.317 1.889 -0.015 0.083 0.500 0.167 CB 0.991 ? Z: 11 12.261 1.841 0.522 0.895 0.900 0.300 CB 1.102 11 residues pruned to eliminate duplicates Z: 46 53.722 2.346 0.953 0.616 0.911 0.578 CA 1.720 46 residues pruned to eliminate duplicates Z: 11 8.146 1.753 0.412 0.480 1.000 0.500 CB 1.062 11 residues pruned to eliminate duplicates Z: 8 3.079 1.667 0.516 0.392 0.429 0.286 CB 1.204 7 residues pruned to eliminate duplicates Z: 10 12.125 2.041 0.465 0.612 0.889 0.667 CB 1.367 11 residues pruned to eliminate duplicates Z: 10 7.994 1.671 0.754 0.672 0.889 0.889 CB 0.873 10 residues pruned to eliminate duplicates Z: 93 71.002 2.298 0.882 0.583 0.935 0.652 CB 1.690 93 residues pruned to eliminate duplicates Z: 15 10.082 1.804 0.635 0.353 0.857 0.429 CB 1.249 15 residues pruned to eliminate duplicates Z: 15 34.001 2.266 0.889 0.849 1.000 0.929 CB 1.575 15 residues pruned to eliminate duplicates Z: 24 24.620 2.086 0.547 0.648 0.913 0.696 CB 1.517 24 residues pruned to eliminate duplicates Z: 10 6.821 1.810 0.338 0.436 0.778 0.333 CB 1.290 10 residues pruned to eliminate duplicates Z: 10 3.230 1.647 0.168 0.354 0.667 0.444 CB 0.983 Z: 23 15.713 1.947 0.579 0.562 0.818 0.591 CB 1.253 23 residues pruned to eliminate duplicates Z: 49 44.880 2.292 0.761 0.574 0.896 0.646 CB 1.667 49 residues pruned to eliminate duplicates Z: 31 58.519 2.427 1.058 0.711 0.967 0.700 CB 1.828 31 residues pruned to eliminate duplicates Z: 18 29.470 2.189 0.637 0.788 0.941 0.882 CB 1.646 18 residues pruned to eliminate duplicates Z: 82 50.975 2.185 0.924 0.492 0.914 0.667 CB 1.487 82 residues pruned to eliminate duplicates Z: 17 17.327 2.005 0.412 0.764 0.875 0.812 CB 1.384 17 residues pruned to eliminate duplicates Z: 33 25.069 2.072 0.417 0.545 1.000 0.656 CB 1.445 33 residues pruned to eliminate duplicates Z: 20 24.881 2.204 0.621 0.643 0.895 0.737 CB 1.562 20 residues pruned to eliminate duplicates Z: 12 8.087 1.337 0.551 0.593 1.000 0.727 CB 1.075 12 residues pruned to eliminate duplicates Z: 11 20.113 2.255 0.290 0.820 1.000 0.700 CA 1.657 11 residues pruned to eliminate duplicates Z: 42 51.695 2.218 1.123 0.565 0.976 0.780 CB 1.649 42 residues pruned to eliminate duplicates Z: 12 21.133 2.116 0.811 0.611 1.000 0.909 CB 1.497 12 residues pruned to eliminate duplicates Z: 33 43.702 2.323 0.992 0.542 0.906 0.688 CA 1.767 33 residues pruned to eliminate duplicates Z: 6 3.343 1.399 0.295 0.543 1.000 0.800 CB 0.791 Z: 9 7.575 1.754 -0.181 0.905 1.000 0.875 CB 1.326 9 residues pruned to eliminate duplicates Z: 35 33.226 2.254 0.666 0.520 0.941 0.559 CB 1.581 35 residues pruned to eliminate duplicates Z: 7 3.122 1.353 0.351 0.250 1.000 0.333 CB 0.930 Z: 28 28.403 2.246 0.775 0.479 0.815 0.630 CB 1.718 28 residues pruned to eliminate duplicates Z: 41 35.563 2.192 0.591 0.606 0.950 0.625 CB 1.535 41 residues pruned to eliminate duplicates Z: 15 13.900 1.892 0.577 0.473 0.929 0.571 CB 1.379 15 residues pruned to eliminate duplicates Z: 33 52.848 2.338 1.024 0.693 0.938 0.719 CB 1.766 33 residues pruned to eliminate duplicates Z: 10 3.713 1.611 0.484 0.332 0.556 0.444 CB 1.120 10 residues pruned to eliminate duplicates Z: 37 32.893 2.173 0.654 0.621 0.889 0.556 CB 1.531 37 residues pruned to eliminate duplicates Z: 33 29.736 2.147 0.645 0.505 0.969 0.625 CB 1.530 33 residues pruned to eliminate duplicates Z: 73 51.576 2.204 0.772 0.606 0.917 0.639 CB 1.534 73 residues pruned to eliminate duplicates Z: 7 5.860 1.430 0.384 0.698 1.000 0.667 CB 1.009 Z: 10 24.401 1.928 1.322 0.902 1.000 1.000 CB 1.296 12 residues pruned to eliminate duplicates Z: 44 36.601 2.117 0.913 0.457 0.930 0.628 CB 1.548 44 residues pruned to eliminate duplicates Z: 10 6.166 1.584 0.279 0.479 0.889 0.556 CB 1.165 10 residues pruned to eliminate duplicates Z: 9 6.804 1.515 0.450 0.543 0.875 0.500 CB 1.200 9 residues pruned to eliminate duplicates Z: 13 15.709 2.165 0.720 0.399 0.917 0.417 CB 1.477 13 residues pruned to eliminate duplicates Z: 22 22.214 2.034 0.802 0.498 0.905 0.667 CB 1.465 22 residues pruned to eliminate duplicates Z: 9 10.341 1.901 0.407 0.826 0.875 0.250 CB 1.178 9 residues pruned to eliminate duplicates Z: 8 3.792 1.437 0.202 0.608 1.000 0.857 CB 0.749 Z: 31 21.815 2.080 0.314 0.527 0.967 0.733 CB 1.469 31 residues pruned to eliminate duplicates Z: 11 10.537 1.750 0.344 0.659 0.900 0.700 CA 1.358 11 residues pruned to eliminate duplicates Z: 6 4.407 1.472 0.490 0.393 1.000 0.800 CB 1.006 Z: 24 19.019 1.869 0.739 0.551 0.870 0.565 CB 1.334 24 residues pruned to eliminate duplicates Z: 82 54.430 2.187 0.894 0.523 0.926 0.679 CB 1.541 82 residues pruned to eliminate duplicates Z: 7 2.913 1.702 0.216 0.193 0.833 0.667 CB 0.995 7 residues pruned to eliminate duplicates Z: 16 13.131 1.890 0.431 0.619 1.000 0.400 CB 1.120 16 residues pruned to eliminate duplicates Z: 29 30.225 2.345 0.596 0.460 0.929 0.571 CB 1.713 29 residues pruned to eliminate duplicates Z: 32 11.145 1.808 0.464 0.449 0.806 0.548 CB 0.988 32 residues pruned to eliminate duplicates Z: 31 50.049 2.263 1.001 0.721 0.967 0.733 CB 1.710 31 residues pruned to eliminate duplicates Z: 6 10.476 1.800 0.344 0.823 1.000 0.800 C 1.464 6 residues pruned to eliminate duplicates Z: 37 32.288 2.123 0.705 0.572 0.917 0.722 CB 1.513 37 residues pruned to eliminate duplicates Z: 34 51.788 2.285 1.009 0.687 0.970 0.606 CB 1.707 34 residues pruned to eliminate duplicates Z: 24 16.287 1.685 0.651 0.550 1.000 0.783 CB 1.162 24 residues pruned to eliminate duplicates Z: 109 51.357 2.156 0.616 0.525 0.926 0.583 CB 1.494 109 residues pruned to eliminate duplicates Z: 23 15.962 1.715 0.663 0.642 1.000 0.818 CB 1.044 23 residues pruned to eliminate duplicates Z: 13 12.783 1.925 0.812 0.582 0.750 0.667 CB 1.304 13 residues pruned to eliminate duplicates Z: 7 2.434 1.370 0.094 0.389 0.833 0.667 CB 0.895 Z: 10 12.927 2.084 0.182 0.894 1.000 0.889 CB 1.255 10 residues pruned to eliminate duplicates Z: 14 18.202 2.129 0.800 0.543 0.846 0.692 CB 1.493 14 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 20 28.504 2.291 0.505 0.767 0.947 0.842 CA 1.579 20 residues pruned to eliminate duplicates Z: 89 61.165 2.211 0.706 0.605 0.955 0.636 CB 1.639 89 residues pruned to eliminate duplicates Z: 48 48.352 2.315 0.861 0.560 0.915 0.596 CA 1.689 48 residues pruned to eliminate duplicates Z: 45 55.625 2.367 0.980 0.604 0.932 0.659 CA 1.739 45 residues pruned to eliminate duplicates Z: 82 74.190 2.343 0.921 0.579 0.963 0.691 CB 1.763 82 residues pruned to eliminate duplicates Z: 44 60.395 2.389 0.980 0.643 0.953 0.651 CA 1.787 44 residues pruned to eliminate duplicates Z: 49 54.613 2.311 0.993 0.609 0.896 0.625 CB 1.722 49 residues pruned to eliminate duplicates Z: 33 59.763 2.361 1.104 0.690 1.000 0.656 CA 1.787 33 residues pruned to eliminate duplicates Z: 129 73.631 2.266 0.788 0.580 0.930 0.648 CB 1.601 129 residues pruned to eliminate duplicates Z: 45 59.305 2.383 0.986 0.635 0.955 0.636 CB 1.743 45 residues pruned to eliminate duplicates Z: 128 78.880 2.312 0.766 0.592 0.953 0.677 CB 1.648 128 residues pruned to eliminate duplicates Z: 134 75.708 2.278 0.776 0.587 0.917 0.692 CB 1.628 134 residues pruned to eliminate duplicates Z: 128 80.753 2.311 0.809 0.601 0.929 0.677 CB 1.676 135 residues pruned to eliminate duplicates Z: 17 43.420 2.417 0.993 0.840 0.938 0.688 CA 1.793 17 residues pruned to eliminate duplicates Z: 34 55.653 2.366 1.003 0.667 1.000 0.606 CA 1.752 34 residues pruned to eliminate duplicates Z: 32 56.229 2.405 1.087 0.661 0.968 0.581 CB 1.791 32 residues pruned to eliminate duplicates Z: 49 55.740 2.368 1.018 0.597 0.896 0.646 CB 1.713 49 residues pruned to eliminate duplicates Z: 60 58.130 2.299 0.949 0.570 0.932 0.576 CB 1.693 60 residues pruned to eliminate duplicates Z: 45 61.147 2.385 0.984 0.641 0.977 0.659 CA 1.747 45 residues pruned to eliminate duplicates Z: 130 80.729 2.311 0.774 0.592 0.953 0.674 CB 1.665 130 residues pruned to eliminate duplicates Z: 45 61.982 2.390 1.067 0.634 0.955 0.727 CB 1.747 45 residues pruned to eliminate duplicates Z: 48 53.687 2.297 0.928 0.603 0.957 0.660 CA 1.675 48 residues pruned to eliminate duplicates Z: 45 62.283 2.366 1.024 0.652 0.955 0.636 CA 1.783 45 residues pruned to eliminate duplicates Z: 50 56.635 2.315 1.022 0.610 0.898 0.694 CA 1.734 50 residues pruned to eliminate duplicates Z: 44 59.973 2.392 1.032 0.648 0.907 0.698 CB 1.808 44 residues pruned to eliminate duplicates Z: 6 7.635 1.544 1.056 0.416 1.000 0.600 N 1.174 6 residues pruned to eliminate duplicates Z: 96 76.958 2.355 0.876 0.590 0.958 0.747 CB 1.712 96 residues pruned to eliminate duplicates Z: 6 7.505 1.925 1.429 0.230 0.800 0.600 CA 1.228 6 residues pruned to eliminate duplicates Z: 63 56.812 2.320 0.915 0.572 0.919 0.645 CB 1.648 63 residues pruned to eliminate duplicates Z: 13 20.724 2.315 0.869 0.537 0.833 0.583 CB 1.601 13 residues pruned to eliminate duplicates Z: 82 74.045 2.348 0.970 0.579 0.951 0.753 CB 1.734 82 residues pruned to eliminate duplicates Z: 46 57.493 2.358 1.007 0.616 0.933 0.667 CB 1.738 46 residues pruned to eliminate duplicates Z: 100 64.433 2.264 0.798 0.584 0.919 0.687 CB 1.597 100 residues pruned to eliminate duplicates Z: 68 53.918 2.251 0.971 0.502 0.910 0.642 CB 1.627 68 residues pruned to eliminate duplicates Z: 63 52.894 2.294 0.883 0.537 0.919 0.677 CB 1.631 63 residues pruned to eliminate duplicates Z: 95 76.892 2.351 0.982 0.578 0.936 0.681 CB 1.686 95 residues pruned to eliminate duplicates Z: 39 48.103 2.279 0.926 0.538 0.974 0.737 CB 1.759 39 residues pruned to eliminate duplicates Z: 41 37.890 2.247 0.794 0.516 0.900 0.650 CB 1.626 41 residues pruned to eliminate duplicates Z: 130 76.525 2.259 0.864 0.586 0.907 0.651 CB 1.624 129 residues pruned to eliminate duplicates Z: 6 4.480 1.621 0.852 0.355 1.000 0.400 CA 0.781 6 residues pruned to eliminate duplicates Z: 82 72.622 2.340 0.898 0.592 0.951 0.667 CB 1.750 82 residues pruned to eliminate duplicates Z: 47 46.618 2.259 0.982 0.497 0.913 0.652 CB 1.687 47 residues pruned to eliminate duplicates Z: 85 58.015 2.243 0.846 0.581 0.905 0.643 CB 1.563 85 residues pruned to eliminate duplicates Z: 41 32.502 2.157 0.835 0.430 0.850 0.625 CB 1.642 41 residues pruned to eliminate duplicates Z: 44 47.242 2.324 0.810 0.555 0.977 0.698 CB 1.662 44 residues pruned to eliminate duplicates Z: 80 64.590 2.291 0.813 0.610 0.962 0.747 CB 1.637 80 residues pruned to eliminate duplicates Z: 34 43.326 2.273 0.950 0.530 0.970 0.697 CB 1.705 34 residues pruned to eliminate duplicates Z: 34 41.282 2.264 0.856 0.544 0.970 0.667 CB 1.689 34 residues pruned to eliminate duplicates Z: 128 82.980 2.312 0.857 0.595 0.937 0.630 CB 1.672 129 residues pruned to eliminate duplicates Z: 14 19.993 1.999 0.441 0.746 1.000 0.923 CB 1.544 14 residues pruned to eliminate duplicates Z: 85 64.243 2.287 0.835 0.596 0.940 0.738 CB 1.620 85 residues pruned to eliminate duplicates Z: 84 69.926 2.300 0.913 0.582 0.964 0.651 CB 1.673 84 residues pruned to eliminate duplicates Z: 84 59.582 2.258 0.795 0.594 0.940 0.639 CB 1.570 84 residues pruned to eliminate duplicates Z: 129 83.505 2.314 0.869 0.605 0.945 0.617 CB 1.634 129 residues pruned to eliminate duplicates Z: 94 76.927 2.346 0.969 0.594 0.935 0.677 CB 1.688 94 residues pruned to eliminate duplicates Z: 69 51.781 2.252 0.988 0.489 0.882 0.706 CB 1.607 69 residues pruned to eliminate duplicates Z: 130 88.516 2.315 0.897 0.618 0.953 0.736 CB 1.664 130 residues pruned to eliminate duplicates Z: 47 37.318 2.261 0.733 0.537 0.913 0.652 CB 1.483 47 residues pruned to eliminate duplicates Z: 84 60.195 2.239 0.820 0.608 0.928 0.723 CB 1.577 84 residues pruned to eliminate duplicates Z: 50 49.468 2.292 0.879 0.524 0.959 0.653 CB 1.670 50 residues pruned to eliminate duplicates Z: 97 64.503 2.265 0.854 0.579 0.896 0.719 CB 1.622 97 residues pruned to eliminate duplicates Z: 126 81.247 2.294 0.862 0.576 0.952 0.672 CB 1.660 126 residues pruned to eliminate duplicates Z: 47 43.493 2.271 0.765 0.556 0.978 0.739 CB 1.548 47 residues pruned to eliminate duplicates Z: 41 42.012 2.195 0.839 0.555 0.975 0.725 CB 1.599 41 residues pruned to eliminate duplicates Z: 125 81.529 2.293 0.929 0.602 0.927 0.694 CB 1.620 125 residues pruned to eliminate duplicates Z: 48 44.695 2.237 0.762 0.536 0.979 0.787 CB 1.631 48 residues pruned to eliminate duplicates Z: 95 75.845 2.326 0.940 0.591 0.957 0.755 CB 1.659 95 residues pruned to eliminate duplicates Z: 54 43.295 2.229 0.839 0.507 0.906 0.660 CB 1.591 54 residues pruned to eliminate duplicates Z: 45 35.680 2.215 0.656 0.533 0.909 0.705 CB 1.562 45 residues pruned to eliminate duplicates Z: 21 25.685 2.264 0.673 0.591 1.000 0.700 CB 1.390 21 residues pruned to eliminate duplicates Z: 54 45.429 2.242 0.703 0.602 0.962 0.604 CB 1.541 54 residues pruned to eliminate duplicates Z: 82 61.065 2.259 0.828 0.565 0.975 0.704 CB 1.582 82 residues pruned to eliminate duplicates Z: 62 54.391 2.292 0.924 0.536 0.934 0.770 CB 1.630 62 residues pruned to eliminate duplicates Z: 87 59.623 2.215 0.837 0.594 0.919 0.709 CB 1.573 87 residues pruned to eliminate duplicates Z: 82 60.358 2.257 0.811 0.588 0.963 0.642 CB 1.565 82 residues pruned to eliminate duplicates Z: 50 45.545 2.252 0.874 0.559 0.939 0.735 CB 1.551 50 residues pruned to eliminate duplicates Z: 102 61.867 2.213 0.876 0.569 0.921 0.723 CB 1.507 102 residues pruned to eliminate duplicates Z: 81 63.006 2.258 0.848 0.600 0.950 0.688 CB 1.617 81 residues pruned to eliminate duplicates Z: 127 83.022 2.303 0.861 0.599 0.952 0.651 CB 1.648 127 residues pruned to eliminate duplicates Z: 84 54.679 2.219 0.806 0.572 0.928 0.614 CB 1.506 84 residues pruned to eliminate duplicates Z: 163 81.513 2.249 0.832 0.579 0.914 0.654 CB 1.576 172 residues pruned to eliminate duplicates Z: 6 11.420 1.622 1.522 0.604 1.000 0.400 CB 1.131 6 residues pruned to eliminate duplicates Z: 79 53.765 2.209 0.787 0.569 0.949 0.654 CB 1.520 79 residues pruned to eliminate duplicates Z: 30 28.518 2.152 0.790 0.528 0.828 0.690 CB 1.617 30 residues pruned to eliminate duplicates Z: 50 33.217 2.149 0.669 0.588 0.857 0.633 CB 1.418 50 residues pruned to eliminate duplicates Z: 84 55.157 2.247 0.781 0.585 0.892 0.699 CB 1.564 84 residues pruned to eliminate duplicates Z: 37 41.281 2.241 0.809 0.624 0.917 0.722 CB 1.647 37 residues pruned to eliminate duplicates Z: 83 57.910 2.257 0.781 0.583 0.939 0.659 CB 1.564 83 residues pruned to eliminate duplicates Z: 62 47.533 2.238 0.773 0.582 0.918 0.623 CB 1.544 62 residues pruned to eliminate duplicates Z: 46 34.876 2.189 0.649 0.590 0.933 0.622 CB 1.416 46 residues pruned to eliminate duplicates Z: 40 37.963 2.187 0.717 0.635 0.897 0.615 CB 1.589 40 residues pruned to eliminate duplicates Z: 85 54.253 2.263 0.722 0.578 0.929 0.679 CB 1.517 85 residues pruned to eliminate duplicates Z: 81 64.512 2.281 0.890 0.592 0.963 0.650 CB 1.592 81 residues pruned to eliminate duplicates Z: 81 65.512 2.272 0.853 0.606 0.963 0.650 CB 1.636 81 residues pruned to eliminate duplicates Z: 93 66.408 2.305 0.823 0.566 0.957 0.674 CB 1.617 93 residues pruned to eliminate duplicates Z: 134 78.283 2.266 0.877 0.596 0.917 0.684 CB 1.588 134 residues pruned to eliminate duplicates Z: 85 56.325 2.229 0.784 0.565 0.940 0.690 CB 1.543 85 residues pruned to eliminate duplicates Z: 131 81.288 2.306 0.871 0.586 0.954 0.608 CB 1.595 131 residues pruned to eliminate duplicates Z: 96 52.734 2.166 0.776 0.538 0.905 0.611 CB 1.497 96 residues pruned to eliminate duplicates Z: 86 61.324 2.282 0.771 0.598 0.953 0.729 CB 1.573 86 residues pruned to eliminate duplicates Z: 64 33.674 2.137 0.704 0.531 0.841 0.587 CB 1.343 64 residues pruned to eliminate duplicates Z: 130 84.194 2.306 0.888 0.592 0.953 0.674 CB 1.634 130 residues pruned to eliminate duplicates Z: 52 43.114 2.240 0.791 0.598 0.902 0.647 CB 1.520 52 residues pruned to eliminate duplicates Z: 46 36.578 2.196 0.722 0.565 0.933 0.644 CB 1.450 46 residues pruned to eliminate duplicates Z: 33 33.529 2.163 0.618 0.663 0.938 0.594 CB 1.553 33 residues pruned to eliminate duplicates Z: 92 58.210 2.210 0.750 0.582 0.956 0.615 CB 1.526 92 residues pruned to eliminate duplicates Z: 82 60.882 2.263 0.801 0.594 0.963 0.667 CB 1.575 82 residues pruned to eliminate duplicates Z: 60 43.242 2.225 0.723 0.594 0.898 0.610 CB 1.494 60 residues pruned to eliminate duplicates Z: 81 59.992 2.259 0.799 0.579 0.963 0.675 CB 1.588 81 residues pruned to eliminate duplicates Z: 45 33.175 2.188 0.649 0.600 0.864 0.591 CB 1.459 45 residues pruned to eliminate duplicates Z: 80 62.099 2.279 0.855 0.603 0.949 0.709 CB 1.578 80 residues pruned to eliminate duplicates Z: 55 38.197 2.189 0.600 0.591 0.889 0.630 CB 1.530 55 residues pruned to eliminate duplicates Z: 85 58.416 2.205 0.842 0.587 0.940 0.690 CB 1.535 85 residues pruned to eliminate duplicates Z: 44 34.613 2.132 0.664 0.630 0.907 0.628 CB 1.452 44 residues pruned to eliminate duplicates Z: 102 58.035 2.221 0.734 0.573 0.901 0.663 CB 1.551 102 residues pruned to eliminate duplicates Z: 43 33.520 2.119 0.625 0.633 0.905 0.619 CB 1.465 43 residues pruned to eliminate duplicates Z: 37 29.780 2.104 0.575 0.657 0.917 0.528 CB 1.412 37 residues pruned to eliminate duplicates Z: 35 27.765 2.144 0.531 0.663 0.853 0.618 CB 1.461 35 residues pruned to eliminate duplicates Z: 53 38.767 2.158 0.738 0.603 0.923 0.615 CB 1.408 53 residues pruned to eliminate duplicates Z: 93 58.928 2.182 0.841 0.590 0.913 0.696 CB 1.537 93 residues pruned to eliminate duplicates Z: 14 5.420 1.645 0.381 0.369 0.692 0.462 CB 1.100 14 residues pruned to eliminate duplicates Z: 39 28.805 2.157 0.548 0.479 0.947 0.579 CB 1.509 39 residues pruned to eliminate duplicates Z: 12 4.760 1.601 0.312 0.323 0.818 0.545 CB 1.015 12 residues pruned to eliminate duplicates Z: 67 39.173 2.097 0.545 0.607 0.924 0.561 CB 1.455 67 residues pruned to eliminate duplicates Z: 115 59.772 2.204 0.701 0.578 0.930 0.658 CB 1.490 115 residues pruned to eliminate duplicates Z: 28 30.432 2.207 0.597 0.582 1.000 0.519 CB 1.536 28 residues pruned to eliminate duplicates Z: 38 31.752 2.206 0.541 0.508 0.946 0.676 CB 1.611 38 residues pruned to eliminate duplicates Z: 6 5.252 1.787 0.437 0.582 0.800 0.400 CB 1.056 6 residues pruned to eliminate duplicates Z: 34 27.837 2.287 0.559 0.496 0.879 0.606 CB 1.553 34 residues pruned to eliminate duplicates Z: 35 24.371 2.078 0.466 0.529 0.941 0.559 CB 1.417 35 residues pruned to eliminate duplicates Z: 36 30.873 2.197 0.559 0.501 0.971 0.571 CB 1.567 36 residues pruned to eliminate duplicates Z: 39 32.482 2.175 0.633 0.477 0.974 0.605 CB 1.559 39 residues pruned to eliminate duplicates Z: 31 23.646 2.124 0.467 0.520 0.900 0.600 CB 1.509 31 residues pruned to eliminate duplicates Z: 27 24.656 2.174 0.547 0.552 0.923 0.538 CB 1.481 27 residues pruned to eliminate duplicates Z: 35 34.283 2.265 0.602 0.557 0.971 0.618 CB 1.579 35 residues pruned to eliminate duplicates Z: 50 24.205 1.928 0.534 0.484 0.918 0.653 CB 1.294 73 residues pruned to eliminate duplicates Z: 41 30.733 2.109 0.561 0.506 0.975 0.600 CB 1.504 41 residues pruned to eliminate duplicates Z: 35 30.726 2.239 0.515 0.540 0.971 0.471 CB 1.539 35 residues pruned to eliminate duplicates Z: 28 27.133 2.195 0.668 0.583 0.926 0.593 CB 1.422 28 residues pruned to eliminate duplicates Z: 39 29.619 2.129 0.585 0.513 0.947 0.658 CB 1.485 39 residues pruned to eliminate duplicates Z: 35 26.192 2.027 0.631 0.507 1.000 0.441 CB 1.350 35 residues pruned to eliminate duplicates Z: 40 29.807 2.155 0.575 0.513 0.923 0.590 CB 1.504 40 residues pruned to eliminate duplicates Z: 36 31.351 2.217 0.552 0.529 0.971 0.714 CB 1.541 36 residues pruned to eliminate duplicates Z: 33 22.488 2.115 0.541 0.430 0.938 0.500 CB 1.398 33 residues pruned to eliminate duplicates Z: 35 33.465 2.260 0.593 0.536 0.971 0.618 CB 1.585 35 residues pruned to eliminate duplicates Z: 120 63.687 2.244 0.707 0.563 0.933 0.697 CB 1.537 120 residues pruned to eliminate duplicates Z: 10 16.449 2.228 0.816 0.637 0.778 0.778 CB 1.532 10 residues pruned to eliminate duplicates Z: 13 13.100 1.954 0.693 0.505 0.833 0.750 CB 1.366 13 residues pruned to eliminate duplicates Z: 39 30.403 2.136 0.591 0.487 0.974 0.632 CB 1.510 39 residues pruned to eliminate duplicates Z: 13 22.711 2.193 0.884 0.432 1.000 0.667 CB 1.701 13 residues pruned to eliminate duplicates Z: 13 17.780 2.221 0.909 0.434 0.833 0.750 CB 1.555 13 residues pruned to eliminate duplicates Z: 41 32.107 2.136 0.649 0.532 0.925 0.625 CB 1.509 41 residues pruned to eliminate duplicates Z: 13 23.200 2.206 1.130 0.494 0.917 0.750 CB 1.564 13 residues pruned to eliminate duplicates Z: 82 41.216 2.161 0.597 0.545 0.889 0.568 CB 1.428 82 residues pruned to eliminate duplicates Z: 40 33.100 2.152 0.670 0.546 0.974 0.692 CB 1.447 40 residues pruned to eliminate duplicates Z: 36 22.583 2.171 0.432 0.485 0.886 0.600 CB 1.407 35 residues pruned to eliminate duplicates Z: 6 4.583 1.730 0.120 0.426 1.000 0.600 CB 1.143 6 residues pruned to eliminate duplicates Z: 15 16.550 1.955 0.452 0.725 0.929 0.714 CB 1.370 15 residues pruned to eliminate duplicates Z: 31 43.735 2.261 1.181 0.577 0.967 0.767 CB 1.555 31 residues pruned to eliminate duplicates Z: 85 57.884 2.208 0.825 0.589 0.929 0.726 CB 1.551 85 residues pruned to eliminate duplicates Z: 37 35.253 2.165 0.993 0.455 0.917 0.611 CB 1.555 37 residues pruned to eliminate duplicates Z: 69 49.576 2.252 0.865 0.475 0.868 0.632 CB 1.692 69 residues pruned to eliminate duplicates Z: 81 70.237 2.265 1.044 0.572 0.950 0.700 CB 1.665 81 residues pruned to eliminate duplicates Z: 6 4.854 1.849 0.737 0.335 0.800 0.600 CA 1.013 6 residues pruned to eliminate duplicates Z: 49 41.642 2.209 0.916 0.496 0.854 0.708 CB 1.669 49 residues pruned to eliminate duplicates Z: 73 52.732 2.241 0.869 0.484 0.889 0.653 CB 1.695 73 residues pruned to eliminate duplicates Z: 72 55.553 2.274 0.823 0.491 0.930 0.620 CB 1.725 49 residues pruned to eliminate duplicates Z: 6 6.608 1.850 0.760 0.250 1.000 0.800 CA 1.210 6 residues pruned to eliminate duplicates Z: 45 58.765 2.338 0.986 0.639 0.977 0.727 CB 1.715 45 residues pruned to eliminate duplicates Z: 46 54.180 2.302 0.869 0.649 0.956 0.800 CB 1.710 46 residues pruned to eliminate duplicates Z: 12 26.774 2.429 0.871 0.575 0.909 0.818 CB 1.817 12 residues pruned to eliminate duplicates Z: 46 59.347 2.312 0.953 0.649 0.978 0.756 CB 1.745 46 residues pruned to eliminate duplicates Z: 48 52.332 2.276 0.954 0.617 0.894 0.745 CB 1.720 48 residues pruned to eliminate duplicates Z: 60 56.128 2.275 0.889 0.575 0.949 0.627 CB 1.666 60 residues pruned to eliminate duplicates Z: 60 53.554 2.264 0.903 0.563 0.949 0.678 CB 1.604 60 residues pruned to eliminate duplicates Z: 19 20.158 2.129 0.737 0.403 0.889 0.667 CB 1.600 19 residues pruned to eliminate duplicates Z: 16 25.541 2.232 0.788 0.514 1.000 0.600 CB 1.630 16 residues pruned to eliminate duplicates Z: 17 27.154 2.147 1.042 0.487 1.000 0.688 CB 1.570 17 residues pruned to eliminate duplicates Z: 19 22.633 2.104 1.044 0.479 0.889 0.611 CB 1.425 19 residues pruned to eliminate duplicates Z: 19 31.341 2.225 0.934 0.516 1.000 0.778 CB 1.690 19 residues pruned to eliminate duplicates Z: 6 3.499 1.481 0.972 0.306 0.800 0.600 CA 0.832 6 residues pruned to eliminate duplicates Z: 13 22.950 2.061 0.880 0.504 1.000 0.917 CA 1.703 13 residues pruned to eliminate duplicates Z: 13 17.856 2.125 1.056 0.383 0.917 0.583 CB 1.457 13 residues pruned to eliminate duplicates Z: 19 28.249 2.129 0.911 0.539 1.000 0.722 CB 1.576 19 residues pruned to eliminate duplicates Z: 12 18.898 2.083 0.776 0.470 1.000 0.636 CA 1.588 12 residues pruned to eliminate duplicates Z: 11 26.790 2.181 1.256 0.500 1.000 0.700 CB 1.722 11 residues pruned to eliminate duplicates Z: 93 70.798 2.240 0.979 0.566 0.946 0.772 CB 1.652 93 residues pruned to eliminate duplicates Z: 116 70.311 2.216 0.924 0.560 0.930 0.678 CB 1.560 116 residues pruned to eliminate duplicates Z: 33 49.867 2.284 0.959 0.666 0.969 0.562 CB 1.744 33 residues pruned to eliminate duplicates Z: 130 74.857 2.250 0.810 0.574 0.938 0.667 CB 1.605 130 residues pruned to eliminate duplicates Z: 46 50.811 2.304 0.893 0.613 0.911 0.578 CB 1.713 46 residues pruned to eliminate duplicates Z: 49 50.873 2.309 0.894 0.599 0.896 0.604 CB 1.706 49 residues pruned to eliminate duplicates Z: 48 48.305 2.272 0.819 0.599 0.915 0.681 CB 1.695 48 residues pruned to eliminate duplicates Z: 33 53.805 2.293 1.074 0.702 0.969 0.750 CB 1.718 33 residues pruned to eliminate duplicates Z: 49 45.566 2.238 0.876 0.596 0.896 0.562 CB 1.595 49 residues pruned to eliminate duplicates Z: 82 59.564 2.273 0.864 0.552 0.926 0.667 CB 1.605 82 residues pruned to eliminate duplicates Z: 33 47.350 2.308 1.005 0.666 0.906 0.656 CB 1.712 33 residues pruned to eliminate duplicates Z: 59 53.638 2.289 0.934 0.547 0.931 0.621 CB 1.632 92 residues pruned to eliminate duplicates Z: 32 51.637 2.343 0.987 0.688 0.968 0.710 CB 1.734 32 residues pruned to eliminate duplicates Z: 45 49.216 2.301 0.872 0.607 0.932 0.727 CB 1.670 45 residues pruned to eliminate duplicates Z: 49 51.237 2.299 0.860 0.608 0.917 0.667 CB 1.702 49 residues pruned to eliminate duplicates Z: 80 66.141 2.305 0.930 0.564 0.924 0.696 CB 1.701 80 residues pruned to eliminate duplicates Z: 83 62.450 2.283 0.848 0.544 0.951 0.732 CB 1.645 83 residues pruned to eliminate duplicates Z: 48 50.618 2.343 0.818 0.577 0.936 0.681 CB 1.719 48 residues pruned to eliminate duplicates Z: 45 56.967 2.338 0.946 0.633 0.955 0.682 CB 1.745 45 residues pruned to eliminate duplicates Z: 34 44.360 2.268 0.845 0.664 0.939 0.697 CB 1.688 34 residues pruned to eliminate duplicates Z: 51 51.080 2.273 0.784 0.583 0.960 0.660 CB 1.712 51 residues pruned to eliminate duplicates Z: 48 50.016 2.282 0.786 0.598 0.957 0.638 CB 1.703 48 residues pruned to eliminate duplicates Z: 50 48.442 2.290 0.870 0.588 0.898 0.612 CB 1.655 50 residues pruned to eliminate duplicates Z: 33 53.705 2.307 0.991 0.691 1.000 0.719 CB 1.735 33 residues pruned to eliminate duplicates Z: 46 53.791 2.313 0.915 0.612 0.956 0.600 CB 1.704 46 residues pruned to eliminate duplicates Z: 80 67.054 2.303 0.960 0.559 0.924 0.658 CB 1.709 80 residues pruned to eliminate duplicates Z: 40 37.526 2.190 0.780 0.607 0.872 0.615 CB 1.597 40 residues pruned to eliminate duplicates Z: 83 62.780 2.257 0.882 0.528 0.951 0.622 CB 1.670 83 residues pruned to eliminate duplicates Z: 44 49.932 2.324 0.825 0.609 0.930 0.674 CB 1.741 44 residues pruned to eliminate duplicates Z: 52 39.641 2.183 0.791 0.549 0.863 0.686 CB 1.568 52 residues pruned to eliminate duplicates Z: 33 44.357 2.299 0.851 0.671 0.938 0.719 CB 1.678 33 residues pruned to eliminate duplicates Z: 81 68.036 2.302 0.908 0.581 0.950 0.700 CB 1.687 32 residues pruned to eliminate duplicates Z: 6 19.143 2.303 1.444 0.441 1.000 0.800 CA 1.617 6 residues pruned to eliminate duplicates Z: 35 36.329 2.182 0.979 0.512 0.941 0.676 CB 1.515 35 residues pruned to eliminate duplicates Z: 81 66.397 2.264 0.913 0.573 0.963 0.700 CB 1.660 81 residues pruned to eliminate duplicates Z: 38 41.874 2.210 0.967 0.512 0.946 0.730 CB 1.655 38 residues pruned to eliminate duplicates Z: 47 52.985 2.292 0.987 0.516 0.978 0.739 CB 1.727 47 residues pruned to eliminate duplicates Z: 65 56.682 2.284 0.974 0.500 0.938 0.656 CB 1.677 47 residues pruned to eliminate duplicates Z: 10 21.062 2.190 0.446 0.883 1.000 0.667 CB 1.604 10 residues pruned to eliminate duplicates Z: 32 43.147 2.262 1.084 0.551 0.935 0.742 CB 1.672 27 residues pruned to eliminate duplicates Z: 10 20.248 2.186 0.398 0.892 1.000 0.889 CB 1.586 Z: 6 3.564 1.411 0.375 0.475 1.000 0.800 CA 0.842 6 residues pruned to eliminate duplicates Z: 11 19.059 2.232 0.895 0.569 1.000 0.800 CA 1.333 11 residues pruned to eliminate duplicates Z: 52 49.806 2.209 1.120 0.551 0.902 0.745 CB 1.571 62 residues pruned to eliminate duplicates Z: 55 46.974 2.199 1.090 0.502 0.926 0.722 CB 1.499 55 residues pruned to eliminate duplicates Z: 88 61.857 2.218 0.896 0.568 0.943 0.701 CB 1.568 89 residues pruned to eliminate duplicates Z: 6 3.887 1.545 0.911 0.316 0.600 0.400 C 1.203 6 residues pruned to eliminate duplicates Z: 53 49.304 2.198 1.142 0.528 0.942 0.769 CB 1.499 53 residues pruned to eliminate duplicates Z: 59 41.652 2.192 0.854 0.561 0.862 0.638 CB 1.471 59 residues pruned to eliminate duplicates Z: 20 18.789 2.035 0.928 0.506 0.842 0.684 CB 1.296 20 residues pruned to eliminate duplicates Z: 89 57.550 2.199 0.903 0.571 0.898 0.682 CB 1.525 89 residues pruned to eliminate duplicates Z: 47 37.159 2.178 0.824 0.610 0.848 0.652 CB 1.465 47 residues pruned to eliminate duplicates Z: 54 38.508 2.187 0.653 0.588 0.906 0.679 CB 1.485 54 residues pruned to eliminate duplicates Z: 87 60.886 2.244 0.982 0.580 0.907 0.709 CB 1.507 87 residues pruned to eliminate duplicates Z: 43 35.021 2.136 0.639 0.594 0.905 0.595 CB 1.560 43 residues pruned to eliminate duplicates Z: 35 35.017 2.154 0.609 0.651 0.971 0.647 CB 1.551 33 residues pruned to eliminate duplicates Z: 15 37.355 2.343 0.862 0.872 1.000 0.786 CB 1.668 15 residues pruned to eliminate duplicates Z: 83 62.561 2.241 0.928 0.609 0.927 0.695 CB 1.556 83 residues pruned to eliminate duplicates Z: 84 54.296 2.194 0.817 0.564 0.928 0.627 CB 1.514 84 residues pruned to eliminate duplicates Z: 101 52.605 2.187 0.792 0.542 0.870 0.670 CB 1.481 101 residues pruned to eliminate duplicates Z: 41 39.164 2.205 0.770 0.619 0.950 0.750 CB 1.492 43 residues pruned to eliminate duplicates Z: 16 38.591 2.247 1.008 0.901 1.000 1.000 CB 1.576 16 residues pruned to eliminate duplicates Z: 51 34.694 2.168 0.616 0.603 0.920 0.620 CB 1.380 51 residues pruned to eliminate duplicates Z: 52 39.078 2.188 0.717 0.606 0.922 0.647 CB 1.430 52 residues pruned to eliminate duplicates Z: 60 41.126 2.144 0.831 0.536 0.915 0.542 CB 1.439 60 residues pruned to eliminate duplicates Z: 37 31.209 2.099 0.692 0.639 0.889 0.500 CB 1.446 37 residues pruned to eliminate duplicates Z: 47 33.310 2.083 0.696 0.562 0.848 0.587 CB 1.544 47 residues pruned to eliminate duplicates Z: 49 36.965 2.124 0.824 0.595 0.917 0.625 CB 1.371 49 residues pruned to eliminate duplicates Z: 34 37.115 2.193 0.750 0.669 0.909 0.636 CB 1.584 34 residues pruned to eliminate duplicates Z: 132 79.291 2.246 0.871 0.585 0.947 0.695 CB 1.606 132 residues pruned to eliminate duplicates Z: 31 34.825 2.247 0.641 0.721 0.900 0.767 CB 1.570 31 residues pruned to eliminate duplicates Z: 87 60.128 2.189 0.929 0.577 0.930 0.640 CB 1.533 87 residues pruned to eliminate duplicates Z: 34 31.114 2.169 0.535 0.679 0.879 0.606 CB 1.570 34 residues pruned to eliminate duplicates Z: 56 45.122 2.179 0.829 0.581 0.945 0.636 CB 1.494 56 residues pruned to eliminate duplicates Z: 46 33.546 2.104 0.755 0.600 0.844 0.667 CB 1.458 46 residues pruned to eliminate duplicates Z: 85 60.279 2.224 0.869 0.589 0.940 0.679 CB 1.544 85 residues pruned to eliminate duplicates Z: 35 37.278 2.139 0.661 0.694 0.971 0.618 CB 1.553 35 residues pruned to eliminate duplicates Z: 33 36.763 2.232 0.752 0.679 0.906 0.562 CB 1.555 33 residues pruned to eliminate duplicates Z: 54 37.534 2.123 0.725 0.580 0.925 0.623 CB 1.410 54 residues pruned to eliminate duplicates Z: 34 35.875 2.167 0.679 0.679 0.939 0.636 CB 1.549 34 residues pruned to eliminate duplicates Z: 53 40.983 2.182 0.749 0.616 0.904 0.692 CB 1.477 53 residues pruned to eliminate duplicates Z: 85 60.192 2.199 0.933 0.584 0.929 0.714 CB 1.535 85 residues pruned to eliminate duplicates Z: 33 33.826 2.195 0.652 0.690 0.875 0.719 CB 1.583 33 residues pruned to eliminate duplicates Z: 131 74.044 2.232 0.882 0.570 0.915 0.700 CB 1.579 131 residues pruned to eliminate duplicates Z: 33 37.802 2.201 0.654 0.698 0.938 0.625 CB 1.635 33 residues pruned to eliminate duplicates Z: 22 29.632 2.029 0.964 0.635 0.952 0.714 CB 1.502 Z: 6 6.087 1.435 1.148 0.468 1.000 0.600 CA 0.913 6 residues pruned to eliminate duplicates Z: 10 32.470 2.169 1.376 0.782 1.000 0.889 CA 1.639 11 residues pruned to eliminate duplicates Z: 6 4.015 1.733 0.864 0.266 0.800 0.600 CA 0.906 6 residues pruned to eliminate duplicates Z: 11 26.513 2.178 1.161 0.698 0.900 0.800 CA 1.652 11 residues pruned to eliminate duplicates 6 1.880 1.583 0.190 0.284 0.800 0.400 CB 0.711 ? Z: 6 3.993 1.368 0.957 0.269 0.800 0.400 CA 1.084 6 residues pruned to eliminate duplicates Z: 25 21.818 1.955 0.952 0.536 0.833 0.708 CB 1.352 25 residues pruned to eliminate duplicates Z: 23 22.412 1.982 0.889 0.526 0.909 0.682 CB 1.368 23 residues pruned to eliminate duplicates Z: 23 22.249 1.967 0.845 0.578 0.909 0.636 CB 1.334 23 residues pruned to eliminate duplicates 333 residues left after pruning, divided into chains as follows: A: 21 B: 171 C: 71 D: 49 E: 21 CC for partial structure against native data = 38.38 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.467, Connect. = 0.682 for dens.mod. cycle 1 = 0.317, Contrast = 0.546, Connect. = 0.719 for dens.mod. cycle 2 = 0.318, Contrast = 0.677, Connect. = 0.770 for dens.mod. cycle 3 = 0.318, Contrast = 0.682, Connect. = 0.774 for dens.mod. cycle 4 = 0.318, Contrast = 0.698, Connect. = 0.777 for dens.mod. cycle 5 = 0.318, Contrast = 0.700, Connect. = 0.779 for dens.mod. cycle 6 = 0.318, Contrast = 0.707, Connect. = 0.781 for dens.mod. cycle 7 = 0.318, Contrast = 0.708, Connect. = 0.782 for dens.mod. cycle 8 = 0.318, Contrast = 0.711, Connect. = 0.783 for dens.mod. cycle 9 = 0.318, Contrast = 0.711, Connect. = 0.784 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 3.65 - 2.89 - 2.53 - 2.30 - 2.14 - 2.02 - 1.92 - 1.83 - 1.76 - 1.70 0.782 0.762 0.755 0.778 0.804 0.786 0.767 0.744 0.725 0.697 0.938 0.926 0.914 0.931 0.950 0.933 0.917 0.899 0.874 0.849 N 4960 5050 4958 5017 4899 4802 4992 5503 5101 4182 Estimated mean FOM = 0.761 Pseudo-free CC = 74.46 % Best trace (cycle 1 with CC 44.06%) was saved as ./2i51-1.7-parrot-hancs/2i51-1.7-parrot-hancs.pdb ============================================================================== CPU times required in seconds ----------------------------- 0.4 - Setup, data input and phasing 5.7 - FFTs and peak-searches 12.6 - Sphere of influence 0.6 - Rest of density modification 0.0 - Alpha-helix search 1568.4 - Tripeptide search 14645.5 - Chain tracing 0.0 - NCS analysis 30.3 - B-value refinement for trace 0.1 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 20:00:44 Total time: 16263.52 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 272.23 Used memory is bytes: 6926840