null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 20:51:42 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: ./2od6-1.8-parrot-mrncs/2od6-1.8-parrot-mrncs.phi -a -n -t20 Cell and symmetry only from ./2od6-1.8-parrot-mrncs/2od6-1.8-parrot-mrncs.ins Phases from ./2od6-1.8-parrot-mrncs/2od6-1.8-parrot-mrncs.phi Native data from ./2od6-1.8-parrot-mrncs/2od6-1.8-parrot-mrncs.hkl Listing output to ./2od6-1.8-parrot-mrncs/2od6-1.8-parrot-mrncs.lst Phases output to ./2od6-1.8-parrot-mrncs/2od6-1.8-parrot-mrncs.phs Poly-Ala trace output to ./2od6-1.8-parrot-mrncs/2od6-1.8-parrot-mrncs.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 42952 Reflections read from file ./2od6-1.8-parrot-mrncs/2od6-1.8-parrot-mrncs.phi 42952 Reflections read from file ./2od6-1.8-parrot-mrncs/2od6-1.8-parrot-mrncs.hkl 42952 Unique data, highest resolution = 1.849 Angstroms Anisotropic scaling: intensities multiplied by 0.007623h^2 -0.000405k^2 -0.000077l^2 +0.000000kl +0.000000hl +0.000000hk 75 Reflections with d > 2.049 and 0 in range 2.049 > d > 1.849 added Density sharpening factor set to 0.98 Fourier grid = 64 x 256 x 60 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|> = 0.720 = 0.300, Contrast = 0.365, Connect. = 0.730 for dens.mod. cycle 1 = 0.300, Contrast = 0.441, Connect. = 0.746 for dens.mod. cycle 2 = 0.300, Contrast = 0.540, Connect. = 0.772 for dens.mod. cycle 3 = 0.300, Contrast = 0.566, Connect. = 0.778 for dens.mod. cycle 4 = 0.300, Contrast = 0.581, Connect. = 0.783 for dens.mod. cycle 5 = 0.300, Contrast = 0.590, Connect. = 0.785 for dens.mod. cycle 6 = 0.300, Contrast = 0.597, Connect. = 0.787 for dens.mod. cycle 7 = 0.300, Contrast = 0.602, Connect. = 0.788 for dens.mod. cycle 8 = 0.300, Contrast = 0.605, Connect. = 0.790 for dens.mod. cycle 9 = 0.300, Contrast = 0.608, Connect. = 0.791 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2057 peaks > 0.5 sigma used to seed fragment search Space for about 538 unique residues taking solvent into account 524 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 100 67.445 2.130 0.988 0.643 0.949 0.667 CB 1.475 B: 44 53.022 2.120 1.048 0.720 0.953 0.744 CB 1.602 C: 39 36.733 2.047 0.686 0.806 0.974 0.658 CB 1.358 D: 17 32.988 2.165 0.963 0.944 1.000 0.875 CB 1.344 17 residues pruned to eliminate duplicates E: 55 46.634 2.089 0.967 0.561 0.963 0.704 CB 1.512 F: 25 32.869 2.038 1.024 0.762 0.958 0.875 CB 1.346 G: 50 52.229 2.154 0.966 0.729 0.959 0.673 CB 1.495 H: 14 21.476 2.071 1.191 0.544 0.923 0.615 CB 1.363 I: 31 27.015 2.075 0.952 0.475 0.833 0.600 CB 1.500 31 residues pruned to eliminate duplicates J: 41 51.172 2.205 1.056 0.781 0.950 0.650 CB 1.467 43 residues pruned to eliminate duplicates K: 42 36.388 2.049 0.909 0.599 0.951 0.707 CB 1.390 11 residues pruned to eliminate duplicates L: 27 43.015 2.143 0.927 0.912 0.923 0.500 CB 1.567 27 residues pruned to eliminate duplicates M: 52 54.540 2.172 1.038 0.705 0.941 0.686 CB 1.521 43 residues pruned to eliminate duplicates N: 83 72.058 2.170 1.059 0.693 0.976 0.695 CB 1.530 83 residues pruned to eliminate duplicates O: 28 29.797 1.929 1.016 0.717 0.926 0.815 CB 1.309 26 residues pruned to eliminate duplicates P: 17 35.999 2.140 1.003 0.942 1.000 0.938 CB 1.456 17 residues pruned to eliminate duplicates Q: 80 58.566 2.155 0.850 0.699 0.949 0.709 CB 1.452 80 residues pruned to eliminate duplicates R: 18 32.051 2.133 0.769 0.916 1.000 0.882 CB 1.454 18 residues pruned to eliminate duplicates S: 82 60.418 2.132 0.933 0.698 0.951 0.728 CB 1.430 82 residues pruned to eliminate duplicates T: 46 44.649 2.092 1.034 0.596 0.911 0.756 CB 1.567 47 residues pruned to eliminate duplicates U: 47 54.918 2.197 1.045 0.728 0.978 0.783 CB 1.500 48 residues pruned to eliminate duplicates V: 16 39.403 2.172 1.119 0.939 1.000 0.867 CB 1.536 16 residues pruned to eliminate duplicates W: 16 40.713 2.176 1.278 0.929 1.000 0.933 CB 1.483 16 residues pruned to eliminate duplicates X: 14 24.713 2.013 0.839 0.754 1.000 0.615 CB 1.476 14 residues pruned to eliminate duplicates Y: 28 40.546 2.104 0.943 0.860 0.963 0.630 CB 1.457 28 residues pruned to eliminate duplicates Z: 26 45.492 2.185 0.864 0.917 1.000 0.800 CB 1.576 26 residues pruned to eliminate duplicates Z: 15 13.874 1.929 0.720 0.455 0.857 0.500 CB 1.364 15 residues pruned to eliminate duplicates Z: 27 35.406 2.160 0.682 0.931 0.962 0.731 CB 1.389 27 residues pruned to eliminate duplicates Z: 13 16.353 1.720 0.610 0.811 0.917 0.750 CB 1.419 13 residues pruned to eliminate duplicates Z: 25 37.580 2.054 1.082 0.782 1.000 0.833 CB 1.399 27 residues pruned to eliminate duplicates Z: 61 45.667 2.134 0.793 0.664 0.900 0.583 CB 1.470 61 residues pruned to eliminate duplicates Z: 53 55.086 2.166 1.007 0.733 0.962 0.692 CB 1.481 52 residues pruned to eliminate duplicates Z: 16 36.514 2.168 1.042 0.919 1.000 0.933 CB 1.501 16 residues pruned to eliminate duplicates Z: 83 70.621 2.174 1.052 0.711 0.951 0.695 CB 1.518 83 residues pruned to eliminate duplicates Z: 28 34.112 2.065 0.653 0.902 1.000 0.704 CB 1.372 28 residues pruned to eliminate duplicates Z: 101 69.222 2.126 1.011 0.662 0.940 0.750 CB 1.482 101 residues pruned to eliminate duplicates Z: 45 47.367 2.050 1.143 0.629 0.955 0.750 CB 1.509 83 residues pruned to eliminate duplicates Z: 14 10.516 1.832 0.801 0.427 0.769 0.615 CB 1.240 6 residues pruned to eliminate duplicates Z: 42 39.869 2.078 0.973 0.626 0.927 0.683 CB 1.454 42 residues pruned to eliminate duplicates Z: 27 41.366 2.120 0.834 0.903 0.962 0.615 CB 1.546 Z: 17 35.747 2.181 0.858 0.944 1.000 1.000 CB 1.527 17 residues pruned to eliminate duplicates Z: 21 23.632 2.023 0.439 0.879 1.000 0.750 CB 1.316 21 residues pruned to eliminate duplicates Z: 27 31.126 1.950 0.949 0.731 0.962 0.808 CB 1.356 27 residues pruned to eliminate duplicates Z: 31 45.594 2.154 1.185 0.675 0.967 0.867 CB 1.557 31 residues pruned to eliminate duplicates Z: 27 51.261 2.175 1.248 0.753 0.962 0.846 CB 1.706 27 residues pruned to eliminate duplicates Z: 100 66.136 2.120 0.945 0.650 0.960 0.758 CB 1.460 100 residues pruned to eliminate duplicates Z: 18 31.029 2.163 0.916 0.875 0.941 0.765 CB 1.404 18 residues pruned to eliminate duplicates Z: 29 48.648 2.196 1.314 0.735 0.929 0.786 CB 1.577 29 residues pruned to eliminate duplicates Z: 28 35.962 1.998 1.037 0.751 0.963 0.778 CB 1.411 28 residues pruned to eliminate duplicates Z: 53 51.130 2.134 0.989 0.616 0.942 0.692 CB 1.589 54 residues pruned to eliminate duplicates Z: 29 35.416 2.056 0.827 0.873 0.964 0.786 CB 1.346 29 residues pruned to eliminate duplicates Z: 18 35.595 2.097 1.160 0.906 0.941 0.588 CB 1.441 18 residues pruned to eliminate duplicates Z: 17 19.829 1.749 0.818 0.922 1.000 0.875 CB 1.097 17 residues pruned to eliminate duplicates Z: 26 34.200 1.981 1.054 0.762 1.000 0.800 CB 1.333 26 residues pruned to eliminate duplicates Z: 26 36.688 2.161 0.835 0.922 0.920 0.600 CB 1.415 26 residues pruned to eliminate duplicates Z: 18 28.743 2.124 0.737 0.890 1.000 0.765 CB 1.360 18 residues pruned to eliminate duplicates Z: 27 34.318 2.081 0.760 0.916 1.000 0.615 CB 1.298 27 residues pruned to eliminate duplicates Z: 53 42.027 2.030 0.913 0.694 0.942 0.712 CB 1.334 53 residues pruned to eliminate duplicates Z: 55 54.489 2.151 1.004 0.702 0.963 0.648 CB 1.487 55 residues pruned to eliminate duplicates Z: 44 52.271 2.150 1.307 0.608 0.953 0.628 CB 1.521 44 residues pruned to eliminate duplicates Z: 16 35.090 2.185 1.050 0.954 1.000 0.733 CB 1.391 16 residues pruned to eliminate duplicates Z: 48 45.745 2.162 0.894 0.723 0.915 0.617 CB 1.457 46 residues pruned to eliminate duplicates Z: 14 13.987 1.956 0.763 0.505 0.846 0.538 CB 1.323 Z: 42 35.513 2.079 0.806 0.630 0.902 0.756 CB 1.448 42 residues pruned to eliminate duplicates Z: 55 46.830 2.143 0.968 0.614 0.944 0.593 CB 1.436 55 residues pruned to eliminate duplicates Z: 18 28.540 1.994 1.031 0.873 0.941 0.941 CB 1.323 18 residues pruned to eliminate duplicates Z: 47 43.308 2.097 0.930 0.606 0.957 0.674 CB 1.491 47 residues pruned to eliminate duplicates Z: 27 40.401 2.138 0.746 0.921 0.962 0.769 CB 1.553 27 residues pruned to eliminate duplicates Z: 28 43.352 2.095 0.923 0.902 1.000 0.630 CB 1.478 28 residues pruned to eliminate duplicates Z: 51 49.513 2.107 1.012 0.691 0.960 0.720 CB 1.445 51 residues pruned to eliminate duplicates Z: 29 40.640 2.047 1.020 0.877 1.000 0.821 CB 1.349 29 residues pruned to eliminate duplicates Z: 40 38.385 2.015 0.771 0.773 1.000 0.667 CB 1.353 40 residues pruned to eliminate duplicates Z: 27 37.958 2.163 0.891 0.891 0.923 0.615 CB 1.418 27 residues pruned to eliminate duplicates Z: 29 21.369 1.864 0.706 0.566 0.929 0.714 CB 1.284 29 residues pruned to eliminate duplicates Z: 18 39.075 2.159 1.202 0.929 1.000 0.765 CB 1.395 18 residues pruned to eliminate duplicates Z: 29 49.368 2.228 1.273 0.737 0.964 0.786 CB 1.545 29 residues pruned to eliminate duplicates Z: 7 14.666 2.095 0.565 0.889 0.833 0.667 CB 1.578 7 residues pruned to eliminate duplicates Z: 29 38.189 2.065 0.906 0.860 1.000 0.714 CB 1.348 29 residues pruned to eliminate duplicates Z: 14 10.283 1.817 0.781 0.377 0.846 0.538 CB 1.188 Z: 13 21.712 2.108 1.145 0.519 0.833 0.750 CB 1.633 14 residues pruned to eliminate duplicates Z: 17 34.676 2.069 1.144 0.887 1.000 0.562 CB 1.409 17 residues pruned to eliminate duplicates Z: 17 38.574 2.143 1.316 0.900 0.938 0.812 CB 1.480 17 residues pruned to eliminate duplicates Z: 15 13.799 1.918 0.818 0.380 0.857 0.571 CB 1.402 14 residues pruned to eliminate duplicates Z: 27 38.459 2.163 0.876 0.887 0.923 0.769 CB 1.452 27 residues pruned to eliminate duplicates Z: 11 12.026 1.760 0.629 0.802 0.800 0.500 CB 1.274 11 residues pruned to eliminate duplicates Z: 16 19.443 1.832 0.739 0.942 1.000 0.933 CB 1.093 15 residues pruned to eliminate duplicates Z: 25 37.554 2.055 1.105 0.793 1.000 0.708 CB 1.370 25 residues pruned to eliminate duplicates Z: 17 32.788 2.060 0.932 0.937 0.938 0.750 CB 1.529 17 residues pruned to eliminate duplicates Z: 41 32.971 1.988 0.669 0.759 0.925 0.700 CB 1.349 41 residues pruned to eliminate duplicates Z: 53 55.705 2.175 1.026 0.720 0.962 0.654 CB 1.494 53 residues pruned to eliminate duplicates Z: 17 34.496 2.192 0.819 0.923 1.000 0.875 CB 1.520 17 residues pruned to eliminate duplicates Z: 17 37.628 2.194 1.019 0.945 1.000 0.688 CB 1.469 17 residues pruned to eliminate duplicates Z: 14 24.397 1.997 1.098 0.565 1.000 0.692 CB 1.516 14 residues pruned to eliminate duplicates Z: 15 29.043 2.079 1.305 0.644 0.929 0.857 CB 1.525 15 residues pruned to eliminate duplicates Z: 42 41.510 2.083 1.067 0.657 0.951 0.756 CB 1.367 42 residues pruned to eliminate duplicates Z: 81 64.595 2.137 1.110 0.675 0.913 0.750 CB 1.494 81 residues pruned to eliminate duplicates Z: 56 49.822 2.108 0.958 0.675 0.945 0.673 CB 1.465 83 residues pruned to eliminate duplicates Z: 13 13.339 1.826 0.897 0.435 0.917 0.500 CB 1.297 14 residues pruned to eliminate duplicates Z: 42 55.688 2.160 1.077 0.784 0.976 0.634 CB 1.547 42 residues pruned to eliminate duplicates Z: 41 45.478 2.150 0.970 0.754 0.925 0.600 CB 1.463 43 residues pruned to eliminate duplicates Z: 40 34.891 2.126 0.768 0.603 0.923 0.718 CB 1.460 40 residues pruned to eliminate duplicates Z: 25 35.822 2.047 0.958 0.781 1.000 0.833 CB 1.424 25 residues pruned to eliminate duplicates Z: 42 54.336 2.148 1.174 0.752 0.927 0.707 CB 1.566 42 residues pruned to eliminate duplicates Z: 14 16.181 1.945 0.894 0.491 0.923 0.538 CB 1.332 14 residues pruned to eliminate duplicates Z: 23 26.627 2.070 1.106 0.520 0.955 0.727 CB 1.337 64 residues pruned to eliminate duplicates Z: 38 37.677 2.033 0.770 0.792 0.973 0.730 CB 1.369 38 residues pruned to eliminate duplicates Z: 26 50.422 2.198 1.139 0.924 0.960 0.840 CB 1.569 Z: 25 34.138 2.026 0.918 0.774 0.958 0.833 CB 1.469 25 residues pruned to eliminate duplicates Z: 14 23.224 2.163 0.902 0.512 0.923 0.615 CB 1.676 Z: 28 42.170 2.072 0.929 0.906 1.000 0.852 CB 1.445 28 residues pruned to eliminate duplicates Z: 28 39.032 2.056 0.999 0.885 0.926 0.704 CB 1.426 28 residues pruned to eliminate duplicates Z: 14 19.227 2.131 0.733 0.539 0.923 0.615 CB 1.506 14 residues pruned to eliminate duplicates Z: 18 35.520 2.065 1.170 0.911 1.000 0.706 CB 1.362 18 residues pruned to eliminate duplicates Z: 16 17.091 1.789 0.572 0.906 1.000 0.933 CB 1.116 16 residues pruned to eliminate duplicates Z: 27 30.621 1.994 0.834 0.611 1.000 0.731 CB 1.478 27 residues pruned to eliminate duplicates Z: 17 39.443 2.158 1.212 0.944 1.000 0.688 CB 1.431 17 residues pruned to eliminate duplicates Z: 43 38.349 2.065 1.025 0.605 0.905 0.643 CB 1.415 43 residues pruned to eliminate duplicates Z: 18 32.532 2.111 1.143 0.896 0.882 0.882 CB 1.416 18 residues pruned to eliminate duplicates Z: 25 26.911 1.978 0.823 0.859 0.875 0.458 CB 1.281 25 residues pruned to eliminate duplicates Z: 51 42.637 2.068 0.824 0.738 0.940 0.600 CB 1.373 52 residues pruned to eliminate duplicates Z: 28 36.043 2.096 0.885 0.858 1.000 0.630 CB 1.293 28 residues pruned to eliminate duplicates Z: 26 28.060 2.131 0.471 0.880 0.920 0.720 CB 1.409 Z: 28 41.497 2.105 1.029 0.843 0.963 0.778 CB 1.446 28 residues pruned to eliminate duplicates Z: 54 58.070 2.136 1.111 0.678 0.981 0.774 CB 1.531 55 residues pruned to eliminate duplicates Z: 45 47.723 2.115 1.006 0.629 0.977 0.818 CB 1.537 45 residues pruned to eliminate duplicates Z: 10 21.674 2.180 0.424 0.874 1.000 0.667 CB 1.694 10 residues pruned to eliminate duplicates Z: 14 20.819 1.907 0.692 0.922 1.000 0.923 CB 1.258 14 residues pruned to eliminate duplicates Z: 26 31.959 2.154 0.649 0.922 0.960 0.640 CB 1.318 26 residues pruned to eliminate duplicates Z: 11 19.880 1.829 0.795 0.868 1.000 1.000 CA 1.400 9 residues pruned to eliminate duplicates Z: 15 20.648 1.862 0.822 0.947 1.000 0.929 CB 1.124 15 residues pruned to eliminate duplicates Z: 27 42.085 2.140 1.002 0.919 0.923 0.846 CB 1.471 27 residues pruned to eliminate duplicates Z: 16 40.080 2.238 1.263 0.916 0.933 0.867 CB 1.546 16 residues pruned to eliminate duplicates Z: 17 33.188 2.117 0.962 0.934 1.000 0.875 CB 1.393 17 residues pruned to eliminate duplicates Z: 14 21.801 1.894 0.774 0.942 1.000 1.000 CB 1.249 14 residues pruned to eliminate duplicates Z: 15 19.303 1.862 0.599 0.931 1.000 1.000 CB 1.211 15 residues pruned to eliminate duplicates Z: 27 47.000 2.115 0.980 0.912 1.000 0.731 CB 1.559 27 residues pruned to eliminate duplicates Z: 27 33.414 2.147 0.839 0.898 0.885 0.654 CB 1.342 27 residues pruned to eliminate duplicates Z: 26 34.431 2.170 0.810 0.898 0.920 0.480 CB 1.362 26 residues pruned to eliminate duplicates Z: 18 35.818 2.039 1.059 0.934 1.000 0.882 CB 1.444 18 residues pruned to eliminate duplicates Z: 27 39.081 2.155 0.876 0.901 0.923 0.654 CB 1.466 27 residues pruned to eliminate duplicates Z: 10 13.732 2.090 0.253 0.716 1.000 0.333 CB 1.437 10 residues pruned to eliminate duplicates Z: 26 37.339 2.069 0.857 0.921 0.960 0.760 CB 1.425 26 residues pruned to eliminate duplicates Z: 26 30.056 1.927 1.072 0.856 0.920 0.480 CB 1.207 26 residues pruned to eliminate duplicates Z: 14 14.316 1.897 0.877 0.528 0.846 0.615 CA 1.282 14 residues pruned to eliminate duplicates Z: 42 51.373 2.180 1.014 0.771 0.951 0.732 CB 1.512 42 residues pruned to eliminate duplicates Z: 12 15.558 1.829 0.826 0.760 0.909 0.636 CB 1.226 12 residues pruned to eliminate duplicates Z: 13 18.450 1.915 0.984 0.454 0.917 0.500 CA 1.603 13 residues pruned to eliminate duplicates Z: 62 42.967 2.090 0.874 0.596 0.918 0.672 CB 1.396 62 residues pruned to eliminate duplicates Z: 29 38.241 2.041 0.967 0.843 1.000 0.679 CB 1.340 29 residues pruned to eliminate duplicates Z: 16 15.307 1.875 0.950 0.445 0.933 0.400 CB 1.225 13 residues pruned to eliminate duplicates Z: 79 53.773 2.093 1.013 0.579 0.936 0.628 CB 1.431 133 residues pruned to eliminate duplicates Z: 10 24.470 2.157 0.905 0.878 0.889 0.889 CB 1.620 10 residues pruned to eliminate duplicates Z: 17 41.119 2.183 1.242 0.927 1.000 0.750 CB 1.471 17 residues pruned to eliminate duplicates Z: 15 18.151 1.874 0.981 0.563 0.929 0.643 CB 1.324 15 residues pruned to eliminate duplicates Z: 10 8.389 2.035 0.155 0.690 0.667 0.222 CB 1.499 10 residues pruned to eliminate duplicates Z: 10 14.461 2.052 0.411 0.759 0.889 0.556 CB 1.488 10 residues pruned to eliminate duplicates Z: 37 33.885 2.041 0.917 0.571 0.972 0.667 CB 1.386 37 residues pruned to eliminate duplicates Z: 26 45.819 2.193 0.870 0.903 1.000 0.680 CB 1.593 26 residues pruned to eliminate duplicates Z: 28 38.451 2.068 0.784 0.919 0.963 0.667 CB 1.468 28 residues pruned to eliminate duplicates Z: 80 66.802 2.109 1.028 0.667 0.975 0.696 CB 1.545 82 residues pruned to eliminate duplicates Z: 26 25.626 1.936 0.876 0.675 0.960 0.720 CB 1.251 25 residues pruned to eliminate duplicates Z: 11 18.207 2.048 0.417 0.773 1.000 0.600 CB 1.559 11 residues pruned to eliminate duplicates Z: 27 49.735 2.162 1.247 0.746 0.962 0.846 CB 1.676 27 residues pruned to eliminate duplicates Z: 49 45.832 2.137 0.942 0.706 0.917 0.688 CB 1.442 77 residues pruned to eliminate duplicates Z: 18 21.424 2.016 0.984 0.568 0.941 0.706 CB 1.292 Z: 27 47.438 2.173 1.009 0.892 0.962 0.692 CB 1.592 27 residues pruned to eliminate duplicates Z: 6 4.059 1.278 0.379 0.746 1.000 0.600 CA 0.826 6 residues pruned to eliminate duplicates Z: 27 40.575 2.171 0.943 0.896 0.962 0.538 CB 1.406 Z: 20 21.811 1.963 0.746 0.879 0.842 0.474 CB 1.257 Z: 44 46.436 2.122 0.928 0.715 0.953 0.674 CB 1.494 44 residues pruned to eliminate duplicates Z: 19 28.400 2.013 0.782 0.916 0.944 0.778 CB 1.395 19 residues pruned to eliminate duplicates Z: 15 14.275 1.788 0.818 0.401 0.929 0.500 CB 1.403 15 residues pruned to eliminate duplicates Z: 50 50.905 2.153 1.047 0.693 0.918 0.735 CB 1.506 50 residues pruned to eliminate duplicates Z: 65 53.871 2.086 1.073 0.671 0.938 0.703 CB 1.419 65 residues pruned to eliminate duplicates Z: 27 32.427 2.001 1.045 0.733 0.962 0.846 CB 1.311 27 residues pruned to eliminate duplicates Z: 11 14.916 2.007 0.331 0.791 0.900 0.900 CB 1.519 11 residues pruned to eliminate duplicates Z: 28 45.558 2.093 0.943 0.910 1.000 0.741 CB 1.529 28 residues pruned to eliminate duplicates Z: 8 12.088 1.973 0.161 0.864 1.000 0.857 CB 1.462 8 residues pruned to eliminate duplicates Z: 11 17.924 1.975 0.691 0.828 0.900 0.800 CB 1.420 11 residues pruned to eliminate duplicates Z: 11 18.404 2.007 0.554 0.758 1.000 0.500 CB 1.484 11 residues pruned to eliminate duplicates Z: 15 38.774 2.173 1.006 0.912 1.000 0.786 CB 1.684 15 residues pruned to eliminate duplicates Z: 27 38.048 2.088 0.995 0.889 0.923 0.808 CB 1.397 27 residues pruned to eliminate duplicates Z: 18 32.469 2.155 0.872 0.915 0.941 0.941 CB 1.466 18 residues pruned to eliminate duplicates Z: 82 69.987 2.148 1.081 0.692 0.951 0.667 CB 1.536 80 residues pruned to eliminate duplicates Z: 28 40.428 2.110 0.968 0.864 1.000 0.630 CB 1.374 28 residues pruned to eliminate duplicates Z: 18 35.650 2.127 1.403 0.940 0.941 0.529 CB 1.248 18 residues pruned to eliminate duplicates Z: 30 36.724 2.090 1.165 0.615 0.897 0.724 CB 1.508 30 residues pruned to eliminate duplicates Z: 14 18.667 1.876 0.585 0.924 1.000 1.000 CB 1.223 14 residues pruned to eliminate duplicates Z: 28 47.115 2.093 1.120 0.897 1.000 0.778 CB 1.463 28 residues pruned to eliminate duplicates Z: 40 53.510 2.169 0.994 0.815 0.949 0.744 CB 1.588 40 residues pruned to eliminate duplicates Z: 25 25.260 1.895 0.837 0.864 0.958 0.708 CB 1.133 20 residues pruned to eliminate duplicates Z: 16 24.549 1.967 0.692 0.937 1.000 0.867 CB 1.326 20 residues pruned to eliminate duplicates Z: 28 42.731 2.090 0.920 0.888 1.000 0.444 CB 1.476 28 residues pruned to eliminate duplicates Z: 10 16.141 1.876 0.958 0.769 0.889 0.556 CB 1.299 10 residues pruned to eliminate duplicates Z: 40 36.304 2.007 0.760 0.781 0.949 0.667 CB 1.354 40 residues pruned to eliminate duplicates Z: 11 19.868 1.974 0.959 0.834 1.000 0.700 CB 1.218 11 residues pruned to eliminate duplicates Z: 17 24.261 2.003 1.078 0.592 0.938 0.688 CB 1.424 17 residues pruned to eliminate duplicates Z: 10 19.979 1.930 0.903 0.814 1.000 0.667 CB 1.381 11 residues pruned to eliminate duplicates Z: 42 41.720 2.169 0.821 0.748 0.902 0.585 CB 1.465 28 residues pruned to eliminate duplicates Z: 25 29.898 1.991 0.718 0.887 0.958 0.667 CB 1.343 25 residues pruned to eliminate duplicates Z: 28 47.987 2.162 1.271 0.718 0.926 0.741 CB 1.667 28 residues pruned to eliminate duplicates Z: 9 18.389 2.065 0.405 0.860 1.000 0.875 CA 1.648 9 residues pruned to eliminate duplicates Z: 10 19.000 2.093 0.714 0.817 0.889 0.778 CB 1.507 10 residues pruned to eliminate duplicates Z: 6 2.038 1.497 0.259 0.300 0.800 0.600 CB 0.755 Z: 17 38.279 2.095 1.396 0.942 1.000 0.625 CB 1.322 17 residues pruned to eliminate duplicates Z: 9 14.488 2.132 0.259 0.727 1.000 0.875 CB 1.555 9 residues pruned to eliminate duplicates Z: 10 15.969 2.101 0.375 0.746 1.000 0.778 CB 1.479 10 residues pruned to eliminate duplicates Z: 16 15.872 1.983 0.909 0.424 0.867 0.733 CB 1.351 16 residues pruned to eliminate duplicates Z: 26 40.489 2.161 0.890 0.890 0.960 0.600 CB 1.486 26 residues pruned to eliminate duplicates Z: 17 13.932 1.813 0.767 0.479 0.812 0.562 CB 1.367 16 residues pruned to eliminate duplicates Z: 25 24.912 1.959 0.680 0.883 0.917 0.583 CB 1.219 25 residues pruned to eliminate duplicates Z: 10 14.471 2.071 0.261 0.727 1.000 0.444 CB 1.505 10 residues pruned to eliminate duplicates Z: 40 34.406 2.008 0.636 0.778 0.974 0.641 CB 1.347 39 residues pruned to eliminate duplicates Z: 11 14.370 1.944 0.394 0.761 1.000 0.500 CB 1.330 11 residues pruned to eliminate duplicates Z: 10 26.764 2.035 0.967 0.908 1.000 0.889 CB 1.583 10 residues pruned to eliminate duplicates Z: 11 16.517 1.909 0.716 0.844 1.000 0.500 CB 1.186 11 residues pruned to eliminate duplicates Z: 15 19.934 1.880 1.053 0.507 0.929 0.643 CB 1.476 15 residues pruned to eliminate duplicates Z: 18 23.613 1.958 0.630 0.870 0.941 0.706 CB 1.391 18 residues pruned to eliminate duplicates Z: 15 11.833 1.685 1.073 0.393 0.929 0.500 CB 1.092 15 residues pruned to eliminate duplicates Z: 43 34.664 1.986 0.744 0.726 0.952 0.619 CB 1.323 43 residues pruned to eliminate duplicates Z: 53 35.255 2.087 0.731 0.632 0.865 0.481 CB 1.381 53 residues pruned to eliminate duplicates Z: 18 38.351 2.108 1.285 0.904 1.000 0.588 CB 1.376 18 residues pruned to eliminate duplicates Z: 15 20.103 2.081 0.967 0.508 0.857 0.571 CB 1.520 15 residues pruned to eliminate duplicates Z: 11 13.663 2.016 0.240 0.712 1.000 0.700 CB 1.426 11 residues pruned to eliminate duplicates Z: 31 32.628 2.074 1.072 0.587 0.900 0.700 CB 1.417 31 residues pruned to eliminate duplicates Z: 14 20.423 1.884 0.750 0.920 1.000 0.769 CB 1.210 14 residues pruned to eliminate duplicates Z: 10 12.043 1.938 0.623 0.832 0.889 0.778 CB 1.079 10 residues pruned to eliminate duplicates Z: 19 5.958 1.660 0.733 0.230 0.611 0.222 CB 1.094 19 residues pruned to eliminate duplicates Z: 27 36.417 2.071 0.930 0.883 0.885 0.538 CB 1.460 27 residues pruned to eliminate duplicates Z: 26 39.242 1.993 1.102 0.798 1.000 0.960 CB 1.443 26 residues pruned to eliminate duplicates Z: 28 43.098 2.080 0.929 0.911 1.000 0.852 CB 1.465 28 residues pruned to eliminate duplicates Z: 20 10.375 1.809 0.372 0.390 0.789 0.421 CB 1.365 20 residues pruned to eliminate duplicates Z: 28 37.968 2.084 0.763 0.876 0.963 0.593 CB 1.501 28 residues pruned to eliminate duplicates Z: 14 16.196 1.831 1.008 0.510 1.000 0.769 CB 1.210 14 residues pruned to eliminate duplicates Z: 6 2.305 1.648 -0.392 0.443 1.000 0.600 CB 1.090 Z: 72 42.865 2.041 0.807 0.544 0.915 0.732 CB 1.443 72 residues pruned to eliminate duplicates Z: 16 17.711 1.805 0.461 0.920 1.000 0.933 CB 1.221 16 residues pruned to eliminate duplicates Z: 26 29.929 1.934 0.815 0.887 1.000 0.520 CB 1.229 26 residues pruned to eliminate duplicates Z: 16 11.699 1.728 0.513 0.526 0.867 0.600 CB 1.299 16 residues pruned to eliminate duplicates Z: 57 50.744 2.068 1.148 0.624 0.911 0.661 CB 1.492 57 residues pruned to eliminate duplicates Z: 28 39.707 2.068 1.032 0.862 1.000 0.852 CB 1.335 28 residues pruned to eliminate duplicates Z: 80 61.564 2.131 1.027 0.690 0.962 0.646 CB 1.400 80 residues pruned to eliminate duplicates Z: 17 43.565 2.138 1.298 0.934 1.000 0.875 CB 1.546 17 residues pruned to eliminate duplicates Z: 11 24.460 2.048 1.187 0.559 1.000 0.800 CB 1.632 11 residues pruned to eliminate duplicates Z: 17 39.905 2.097 1.380 0.951 1.000 0.812 CB 1.377 17 residues pruned to eliminate duplicates Z: 14 17.741 1.882 0.433 0.939 1.000 0.923 CB 1.268 14 residues pruned to eliminate duplicates Z: 29 34.444 2.021 0.855 0.865 0.964 0.714 CB 1.319 29 residues pruned to eliminate duplicates Z: 26 30.743 1.924 0.841 0.881 1.000 0.560 CB 1.257 25 residues pruned to eliminate duplicates Z: 15 22.679 1.947 0.614 0.943 1.000 0.929 CB 1.336 15 residues pruned to eliminate duplicates Z: 26 47.239 2.224 0.946 0.901 0.960 0.760 CB 1.623 26 residues pruned to eliminate duplicates Z: 16 28.467 2.112 0.781 0.914 0.933 0.467 CB 1.481 16 residues pruned to eliminate duplicates Z: 28 37.460 2.058 0.888 0.906 1.000 0.481 CB 1.320 27 residues pruned to eliminate duplicates Z: 32 46.931 2.126 1.109 0.815 0.935 0.871 CB 1.528 32 residues pruned to eliminate duplicates Z: 27 38.459 2.155 0.867 0.887 0.962 0.577 CB 1.406 28 residues pruned to eliminate duplicates Z: 26 35.099 2.123 0.855 0.878 0.920 0.600 CB 1.406 26 residues pruned to eliminate duplicates Z: 48 40.260 2.027 0.920 0.612 0.936 0.681 CB 1.450 48 residues pruned to eliminate duplicates Z: 39 41.214 2.046 0.939 0.808 0.947 0.684 CB 1.360 39 residues pruned to eliminate duplicates Z: 10 18.232 2.068 0.931 0.856 0.778 0.556 CB 1.443 10 residues pruned to eliminate duplicates Z: 28 33.174 2.056 0.814 0.847 0.926 0.778 CB 1.372 28 residues pruned to eliminate duplicates Z: 18 18.814 1.984 0.840 0.482 0.882 0.588 CB 1.442 8 residues pruned to eliminate duplicates Z: 26 17.204 1.934 0.820 0.534 0.800 0.600 CB 1.181 26 residues pruned to eliminate duplicates Z: 31 51.476 2.162 1.119 0.813 1.000 0.833 CB 1.562 31 residues pruned to eliminate duplicates Z: 30 48.432 2.178 1.142 0.773 1.000 0.862 CB 1.514 30 residues pruned to eliminate duplicates Z: 15 23.681 2.107 1.069 0.520 0.929 0.571 CB 1.533 15 residues pruned to eliminate duplicates Z: 47 41.713 2.055 0.866 0.724 0.957 0.630 CB 1.369 87 residues pruned to eliminate duplicates Z: 53 52.104 2.144 0.990 0.712 0.904 0.654 CB 1.546 53 residues pruned to eliminate duplicates Z: 27 42.820 2.123 1.041 0.895 0.962 0.654 CB 1.445 27 residues pruned to eliminate duplicates Z: 28 38.351 2.102 0.987 0.867 0.963 0.741 CB 1.343 28 residues pruned to eliminate duplicates Z: 27 21.580 1.956 0.617 0.515 0.923 0.692 CB 1.428 27 residues pruned to eliminate duplicates Z: 16 15.206 1.787 0.790 0.539 0.867 0.600 CB 1.362 16 residues pruned to eliminate duplicates Z: 18 21.076 1.972 0.987 0.475 0.882 0.588 CA 1.517 18 residues pruned to eliminate duplicates Z: 37 48.005 2.146 0.926 0.747 1.000 0.750 CB 1.552 37 residues pruned to eliminate duplicates Z: 50 34.402 1.988 0.837 0.689 0.898 0.694 CB 1.260 50 residues pruned to eliminate duplicates Z: 40 37.721 2.059 0.800 0.680 0.949 0.744 CB 1.455 40 residues pruned to eliminate duplicates Z: 14 16.673 1.829 1.020 0.460 0.923 0.769 CA 1.413 14 residues pruned to eliminate duplicates Z: 15 22.528 1.877 0.976 0.951 1.000 0.500 CB 1.119 15 residues pruned to eliminate duplicates Z: 38 37.319 2.059 0.729 0.814 0.946 0.784 CB 1.387 Z: 6 6.366 1.677 0.033 0.688 1.000 0.800 O 1.383 Z: 56 46.565 2.144 0.820 0.681 0.945 0.582 CB 1.441 97 residues pruned to eliminate duplicates Z: 56 54.725 2.196 0.986 0.693 0.964 0.600 CB 1.472 56 residues pruned to eliminate duplicates Z: 39 47.843 2.189 0.982 0.783 0.921 0.737 CB 1.513 39 residues pruned to eliminate duplicates Z: 11 24.527 2.023 0.802 0.841 1.000 0.700 CB 1.586 11 residues pruned to eliminate duplicates Z: 12 10.713 1.692 0.540 0.695 0.909 0.636 CB 1.142 Z: 19 30.310 1.993 0.991 0.917 0.944 0.889 CB 1.346 19 residues pruned to eliminate duplicates Z: 66 48.804 2.096 0.901 0.601 0.954 0.708 CB 1.447 66 residues pruned to eliminate duplicates Z: 14 17.404 1.844 1.028 0.500 1.000 0.615 CA 1.291 14 residues pruned to eliminate duplicates Z: 23 25.278 1.969 0.687 0.852 0.909 0.727 CB 1.320 23 residues pruned to eliminate duplicates Z: 15 18.861 1.866 0.642 0.927 1.000 1.000 CB 1.153 15 residues pruned to eliminate duplicates Z: 18 27.731 2.043 1.079 0.865 0.882 0.412 CB 1.314 Z: 13 13.130 1.728 0.930 0.580 0.833 0.667 N 1.263 Z: 10 13.556 2.009 0.420 0.734 0.889 0.778 CB 1.444 10 residues pruned to eliminate duplicates Z: 11 18.152 1.972 0.565 0.776 1.000 0.500 CB 1.458 11 residues pruned to eliminate duplicates Z: 15 30.034 2.053 1.046 0.912 1.000 0.786 CB 1.353 15 residues pruned to eliminate duplicates Z: 19 34.648 2.011 1.114 0.904 1.000 0.722 CB 1.369 19 residues pruned to eliminate duplicates Z: 27 35.086 2.145 0.786 0.915 0.923 0.923 CB 1.375 29 residues pruned to eliminate duplicates Z: 16 38.122 2.166 1.133 0.900 1.000 0.667 CB 1.521 16 residues pruned to eliminate duplicates Z: 12 9.812 1.839 0.719 0.438 0.818 0.545 CB 1.219 12 residues pruned to eliminate duplicates Z: 8 4.999 1.684 0.751 0.362 0.857 0.571 CB 0.867 Z: 10 6.530 1.766 0.165 0.380 0.889 0.444 CB 1.352 Z: 26 26.109 1.917 0.869 0.863 0.920 0.640 CB 1.162 24 residues pruned to eliminate duplicates Z: 81 52.533 2.101 0.777 0.673 0.950 0.663 CB 1.411 81 residues pruned to eliminate duplicates Z: 12 15.273 1.643 0.952 0.576 1.000 0.636 O 1.335 13 residues pruned to eliminate duplicates Z: 13 7.466 1.699 0.808 0.469 0.667 0.583 N 1.086 19 residues pruned to eliminate duplicates Z: 57 48.202 2.074 0.955 0.671 0.946 0.607 CB 1.433 57 residues pruned to eliminate duplicates Z: 10 19.859 1.953 0.737 0.856 1.000 0.778 CB 1.440 10 residues pruned to eliminate duplicates Z: 55 56.316 2.142 1.107 0.731 0.926 0.704 CB 1.490 55 residues pruned to eliminate duplicates Z: 24 10.996 1.701 0.640 0.371 0.783 0.391 CB 1.206 24 residues pruned to eliminate duplicates Z: 11 17.525 2.053 0.449 0.763 1.000 0.500 CB 1.475 11 residues pruned to eliminate duplicates Z: 17 24.786 1.986 1.065 0.534 1.000 0.750 CA 1.461 17 residues pruned to eliminate duplicates Z: 27 38.109 2.119 0.804 0.906 0.962 0.769 CB 1.446 27 residues pruned to eliminate duplicates 10 1.930 1.478 -0.105 0.216 0.778 0.556 CB 0.874 ? Z: 6 9.391 1.947 0.161 0.758 1.000 0.600 CB 1.477 Z: 16 19.918 1.795 0.772 0.924 1.000 0.667 CB 1.135 16 residues pruned to eliminate duplicates Z: 26 38.151 2.181 0.779 0.897 1.000 0.480 CB 1.408 26 residues pruned to eliminate duplicates Z: 15 4.843 1.561 0.409 0.282 0.643 0.500 CB 1.171 Z: 7 4.332 1.793 -0.247 0.732 1.000 0.833 CB 1.063 Z: 31 40.349 2.168 0.943 0.780 0.933 0.833 CB 1.464 31 residues pruned to eliminate duplicates Z: 25 26.498 1.952 0.585 0.898 0.958 0.667 CB 1.305 27 residues pruned to eliminate duplicates Z: 15 32.572 2.241 0.677 0.937 1.000 1.000 CB 1.612 15 residues pruned to eliminate duplicates Z: 6 6.001 1.578 0.667 0.470 0.800 0.400 CB 1.315 6 residues pruned to eliminate duplicates Z: 14 14.471 1.791 0.252 0.917 1.000 0.923 CB 1.262 14 residues pruned to eliminate duplicates Z: 11 6.579 1.617 0.561 0.362 0.800 0.700 CB 1.195 11 residues pruned to eliminate duplicates Z: 36 44.727 2.117 1.112 0.671 0.943 0.629 CB 1.531 22 residues pruned to eliminate duplicates Z: 39 43.019 2.073 1.037 0.698 0.947 0.711 CB 1.457 39 residues pruned to eliminate duplicates Z: 10 10.600 1.891 0.786 0.349 0.889 0.556 CB 1.386 10 residues pruned to eliminate duplicates Z: 8 4.735 1.796 -0.076 0.550 1.000 0.571 CB 1.027 Z: 11 11.656 2.061 0.100 0.784 0.900 0.500 CB 1.407 11 residues pruned to eliminate duplicates Z: 26 29.311 1.933 0.778 0.859 0.960 0.720 CB 1.307 24 residues pruned to eliminate duplicates Z: 15 22.211 1.828 0.843 0.933 1.000 0.929 CB 1.230 15 residues pruned to eliminate duplicates Z: 7 8.224 1.671 0.750 0.600 0.833 0.667 CA 1.252 7 residues pruned to eliminate duplicates Z: 38 50.053 2.138 1.136 0.719 0.973 0.730 CB 1.519 42 residues pruned to eliminate duplicates Z: 6 2.935 1.765 -0.360 0.680 1.000 0.800 CB 0.985 Z: 15 17.358 1.874 0.973 0.497 0.929 0.714 CA 1.355 15 residues pruned to eliminate duplicates Z: 42 36.917 2.082 0.910 0.625 0.902 0.659 CB 1.429 42 residues pruned to eliminate duplicates Z: 18 15.238 1.915 0.839 0.434 0.824 0.588 CB 1.364 18 residues pruned to eliminate duplicates Z: 6 2.848 1.611 -0.412 0.671 1.000 1.000 CB 1.149 6 1.607 1.594 -0.145 0.486 0.600 0.600 CB 0.892 ? Z: 10 13.406 1.959 0.278 0.878 0.889 0.444 CB 1.458 8 residues pruned to eliminate duplicates Z: 16 19.454 1.757 0.764 0.928 1.000 0.867 CB 1.135 16 residues pruned to eliminate duplicates Z: 14 11.536 1.725 0.789 0.478 0.846 0.692 CA 1.252 14 residues pruned to eliminate duplicates Z: 11 7.102 1.635 0.579 0.757 0.800 0.700 CB 0.865 10 residues pruned to eliminate duplicates Z: 25 23.467 1.919 0.691 0.882 0.833 0.542 CB 1.282 25 residues pruned to eliminate duplicates Z: 8 8.437 1.756 1.000 0.526 1.000 0.857 CB 0.885 Z: 26 32.464 1.930 0.914 0.889 1.000 0.560 CB 1.265 26 residues pruned to eliminate duplicates Z: 15 23.967 1.945 1.235 0.731 0.929 0.714 CB 1.288 14 residues pruned to eliminate duplicates Z: 10 5.102 1.627 0.408 0.270 0.778 0.333 CB 1.240 8 residues pruned to eliminate duplicates Z: 11 18.068 1.862 0.814 0.831 0.900 0.700 CB 1.413 11 residues pruned to eliminate duplicates Z: 12 22.617 2.088 1.483 0.694 0.818 0.818 CB 1.347 12 residues pruned to eliminate duplicates Z: 15 16.292 1.769 0.550 0.902 1.000 0.929 CB 1.132 15 residues pruned to eliminate duplicates Z: 20 20.406 2.059 0.915 0.445 0.842 0.684 CB 1.492 20 residues pruned to eliminate duplicates Z: 28 37.371 2.094 0.916 0.886 0.963 0.815 CB 1.343 28 residues pruned to eliminate duplicates Z: 33 44.380 2.067 1.078 0.724 1.000 0.781 CB 1.492 33 residues pruned to eliminate duplicates Z: 27 38.483 2.163 0.881 0.882 0.962 0.577 CB 1.396 27 residues pruned to eliminate duplicates Z: 14 18.051 1.855 0.600 0.931 1.000 0.923 CB 1.179 14 residues pruned to eliminate duplicates Z: 14 20.491 1.879 0.715 0.931 1.000 0.923 CB 1.233 14 residues pruned to eliminate duplicates Z: 27 24.994 2.117 0.368 0.888 0.885 0.692 CB 1.378 27 residues pruned to eliminate duplicates Z: 19 25.104 1.828 0.947 0.874 0.944 0.778 CB 1.281 19 residues pruned to eliminate duplicates Z: 28 29.349 2.027 0.734 0.845 0.926 0.593 CB 1.290 28 residues pruned to eliminate duplicates Z: 17 13.962 1.857 0.675 0.359 0.938 0.438 CB 1.394 17 residues pruned to eliminate duplicates Z: 9 11.679 1.735 1.135 0.628 0.875 0.750 CB 1.130 Z: 15 18.037 1.856 0.626 0.939 1.000 0.786 CB 1.110 15 residues pruned to eliminate duplicates Z: 7 10.173 1.899 0.518 0.778 1.000 0.667 N 1.127 Z: 29 40.702 2.066 0.961 0.879 1.000 0.607 CB 1.377 29 residues pruned to eliminate duplicates Z: 12 19.568 1.860 1.204 0.771 1.000 1.000 N 1.132 Z: 15 29.402 1.991 1.215 0.716 0.929 0.857 CA 1.578 15 residues pruned to eliminate duplicates Z: 16 37.238 2.217 1.042 0.956 1.000 0.867 CB 1.459 16 residues pruned to eliminate duplicates Z: 29 30.018 1.991 0.875 0.848 0.857 0.714 CB 1.316 29 residues pruned to eliminate duplicates Z: 55 38.003 2.010 0.795 0.586 0.926 0.685 CB 1.425 55 residues pruned to eliminate duplicates Z: 8 4.697 1.736 0.436 0.485 0.714 0.714 N 1.013 8 residues pruned to eliminate duplicates Z: 14 18.238 1.898 0.560 0.944 1.000 1.000 CB 1.183 14 residues pruned to eliminate duplicates Z: 15 23.261 1.846 0.862 0.919 1.000 0.857 CB 1.275 15 residues pruned to eliminate duplicates Z: 73 55.223 2.061 1.116 0.593 0.944 0.653 CB 1.446 73 residues pruned to eliminate duplicates Z: 26 30.463 1.979 0.765 0.909 1.000 0.840 CB 1.238 26 residues pruned to eliminate duplicates Z: 24 30.143 1.960 0.826 0.899 1.000 0.826 CB 1.255 24 residues pruned to eliminate duplicates Z: 9 8.867 1.692 0.171 0.706 1.000 0.875 CB 1.312 9 residues pruned to eliminate duplicates Z: 41 35.349 2.097 0.939 0.616 0.875 0.750 CB 1.408 41 residues pruned to eliminate duplicates Z: 25 25.608 1.943 0.494 0.911 1.000 0.667 CB 1.276 25 residues pruned to eliminate duplicates Z: 11 11.701 1.733 0.963 0.454 0.800 0.500 CB 1.425 11 residues pruned to eliminate duplicates Z: 80 60.017 2.115 1.086 0.687 0.937 0.684 CB 1.376 80 residues pruned to eliminate duplicates Z: 6 2.504 1.236 0.707 0.630 0.800 0.800 N 0.587 Z: 10 10.388 2.004 0.144 0.759 0.889 0.667 CB 1.349 10 residues pruned to eliminate duplicates Z: 21 22.908 1.827 0.685 0.891 0.950 0.650 CB 1.259 21 residues pruned to eliminate duplicates Z: 6 6.460 1.322 0.839 0.775 1.000 0.800 CA 0.932 6 residues pruned to eliminate duplicates Z: 30 48.161 2.132 1.267 0.740 1.000 0.759 CB 1.493 30 residues pruned to eliminate duplicates Z: 9 6.817 1.668 1.077 0.571 0.750 0.625 CB 0.866 9 residues pruned to eliminate duplicates Z: 25 26.188 2.040 0.993 0.481 0.875 0.500 CB 1.533 25 residues pruned to eliminate duplicates Z: 13 16.027 1.889 0.844 0.485 1.000 0.500 CB 1.349 13 residues pruned to eliminate duplicates Z: 42 52.330 2.146 1.188 0.767 0.951 0.683 CB 1.445 42 residues pruned to eliminate duplicates Z: 34 37.769 2.065 0.801 0.693 0.970 0.758 CB 1.529 34 residues pruned to eliminate duplicates Z: 83 63.670 2.129 0.958 0.684 0.951 0.756 CB 1.497 83 residues pruned to eliminate duplicates Z: 10 17.595 2.057 0.493 0.764 1.000 0.667 CB 1.512 10 residues pruned to eliminate duplicates Z: 8 4.531 1.521 0.195 0.443 0.857 0.571 N 1.167 5 residues pruned to eliminate duplicates Z: 26 28.666 1.988 0.767 0.851 0.880 0.520 CB 1.373 26 residues pruned to eliminate duplicates Z: 31 42.065 2.152 0.989 0.783 1.000 0.667 CB 1.398 31 residues pruned to eliminate duplicates Z: 45 43.296 2.072 1.052 0.591 0.909 0.705 CB 1.548 45 residues pruned to eliminate duplicates Z: 28 36.720 2.068 0.940 0.878 0.926 0.519 CB 1.380 28 residues pruned to eliminate duplicates Z: 10 11.530 1.879 0.690 0.689 1.000 0.667 CB 1.019 10 residues pruned to eliminate duplicates Z: 6 2.797 1.447 -0.126 0.623 1.000 0.800 CB 0.880 Z: 68 53.011 2.088 0.987 0.595 0.940 0.672 CB 1.517 68 residues pruned to eliminate duplicates Z: 6 5.204 1.711 -0.144 0.874 1.000 1.000 CB 1.156 6 residues pruned to eliminate duplicates Z: 6 2.364 1.438 0.421 0.484 0.800 0.600 CA 0.657 5 residues pruned to eliminate duplicates 6 1.630 1.322 0.358 0.314 0.800 0.400 CB 0.623 ? Z: 43 44.331 2.122 1.020 0.747 0.905 0.667 CB 1.414 43 residues pruned to eliminate duplicates Z: 8 14.130 1.912 0.693 0.844 1.000 0.429 CB 1.228 8 residues pruned to eliminate duplicates Z: 9 4.659 1.910 -0.053 0.532 0.750 0.750 CB 1.176 9 residues pruned to eliminate duplicates Z: 14 22.946 2.033 1.022 0.772 0.923 0.769 CB 1.318 14 residues pruned to eliminate duplicates Z: 6 4.212 1.741 0.271 0.515 1.000 0.400 CB 0.839 6 residues pruned to eliminate duplicates Z: 12 8.151 1.632 0.795 0.291 0.818 0.545 CB 1.296 12 residues pruned to eliminate duplicates Z: 27 35.275 2.079 0.664 0.908 1.000 0.577 CB 1.421 27 residues pruned to eliminate duplicates Z: 12 8.742 1.809 0.257 0.731 0.818 0.545 CB 1.151 12 residues pruned to eliminate duplicates 6 1.676 1.402 0.317 0.271 0.600 0.400 C 0.878 ? Z: 9 7.590 1.601 0.899 0.590 0.750 0.750 N 1.079 Z: 6 3.365 1.836 -0.448 0.868 1.000 1.000 CB 1.084 4 residues pruned to eliminate duplicates Z: 63 48.981 2.073 1.060 0.590 0.935 0.694 CB 1.428 63 residues pruned to eliminate duplicates Z: 15 22.938 1.872 1.073 0.949 1.000 0.786 CB 1.090 15 residues pruned to eliminate duplicates Z: 13 7.573 1.566 0.362 0.593 0.917 0.583 CB 1.024 5 residues pruned to eliminate duplicates Z: 6 13.271 1.888 1.028 0.766 1.000 1.000 N 1.224 Z: 16 23.794 1.864 1.085 0.937 1.000 0.600 CB 1.100 16 residues pruned to eliminate duplicates Z: 11 19.857 2.164 0.632 0.551 1.000 0.700 CB 1.691 11 residues pruned to eliminate duplicates Z: 6 3.472 1.490 -0.002 0.469 1.000 0.800 N 1.078 Z: 6 5.307 1.361 0.289 0.723 1.000 0.600 CA 1.106 6 residues pruned to eliminate duplicates Z: 11 25.901 1.990 0.829 0.904 1.000 0.800 CA 1.603 11 residues pruned to eliminate duplicates Z: 9 3.519 1.608 -0.138 0.532 1.000 0.750 CB 0.870 4 residues pruned to eliminate duplicates Z: 92 57.770 2.072 0.873 0.615 0.956 0.692 CB 1.464 92 residues pruned to eliminate duplicates 6 1.390 1.615 0.212 0.350 0.600 0.400 CB 0.623 ? Z: 10 6.876 1.717 0.588 0.540 0.778 0.556 N 1.039 Z: 14 18.979 1.873 0.660 0.920 1.000 0.923 CB 1.192 14 residues pruned to eliminate duplicates Z: 51 39.705 1.991 0.902 0.598 0.920 0.740 CB 1.468 51 residues pruned to eliminate duplicates Z: 11 18.170 1.873 0.843 0.784 1.000 0.900 N 1.297 11 residues pruned to eliminate duplicates Z: 32 23.701 1.844 0.707 0.638 0.903 0.710 CB 1.316 32 residues pruned to eliminate duplicates 8 1.712 1.513 -0.112 0.412 0.571 0.571 CB 0.925 ? Z: 6 2.324 1.609 0.650 0.590 1.000 0.800 CB 0.359 6 residues pruned to eliminate duplicates Z: 15 22.618 1.905 0.977 0.927 1.000 0.500 CB 1.125 15 residues pruned to eliminate duplicates Z: 10 12.377 1.820 0.823 0.505 0.889 0.444 CB 1.392 10 residues pruned to eliminate duplicates Z: 23 19.026 1.895 0.945 0.417 0.864 0.545 CB 1.390 23 residues pruned to eliminate duplicates Z: 19 22.873 2.101 0.848 0.865 0.778 0.389 CB 1.308 19 residues pruned to eliminate duplicates Z: 27 32.069 1.895 0.803 0.890 1.000 0.692 CB 1.324 27 residues pruned to eliminate duplicates Z: 56 44.442 2.104 0.931 0.631 0.873 0.655 CB 1.494 56 residues pruned to eliminate duplicates Z: 9 5.799 1.329 0.474 0.819 1.000 0.625 CB 0.794 9 residues pruned to eliminate duplicates Z: 14 5.720 1.748 0.517 0.271 0.615 0.538 CB 1.262 14 residues pruned to eliminate duplicates Z: 10 13.172 1.951 1.089 0.546 0.889 0.667 CB 1.158 12 residues pruned to eliminate duplicates Z: 43 44.272 2.129 0.794 0.746 0.976 0.690 CB 1.471 43 residues pruned to eliminate duplicates Z: 26 21.823 1.900 0.690 0.900 0.920 0.680 CB 1.055 26 residues pruned to eliminate duplicates 404 residues left after pruning, divided into chains as follows: A: 26 B: 147 C: 41 D: 118 E: 8 F: 23 G: 41 CC for partial structure against native data = 39.46 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.429, Connect. = 0.740 for dens.mod. cycle 1 = 0.300, Contrast = 0.490, Connect. = 0.760 for dens.mod. cycle 2 = 0.300, Contrast = 0.579, Connect. = 0.786 for dens.mod. cycle 3 = 0.300, Contrast = 0.585, Connect. = 0.787 for dens.mod. cycle 4 = 0.300, Contrast = 0.594, Connect. = 0.788 for dens.mod. cycle 5 = 0.300, Contrast = 0.598, Connect. = 0.789 for dens.mod. cycle 6 = 0.300, Contrast = 0.603, Connect. = 0.790 for dens.mod. cycle 7 = 0.300, Contrast = 0.605, Connect. = 0.791 for dens.mod. cycle 8 = 0.300, Contrast = 0.608, Connect. = 0.792 for dens.mod. cycle 9 = 0.300, Contrast = 0.610, Connect. = 0.792 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2279 peaks > 0.5 sigma used to seed fragment search Space for about 538 unique residues taking solvent into account 565 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 42 52.126 2.250 0.887 0.749 0.927 0.561 CB 1.656 B: 42 34.077 2.116 0.663 0.638 0.854 0.634 CB 1.558 C: 39 31.119 2.031 0.512 0.803 0.947 0.737 CB 1.331 D: 41 49.509 2.248 0.782 0.760 0.950 0.625 CB 1.633 42 residues pruned to eliminate duplicates E: 47 41.733 2.121 0.729 0.696 0.913 0.543 CB 1.537 47 residues pruned to eliminate duplicates F: 27 49.595 2.177 0.999 0.898 0.962 0.885 CB 1.662 G: 46 46.784 2.164 0.914 0.609 0.933 0.667 CB 1.628 4 residues pruned to eliminate duplicates H: 33 41.028 2.208 0.793 0.700 0.969 0.750 CB 1.577 34 residues pruned to eliminate duplicates I: 54 54.025 2.196 0.871 0.727 0.925 0.623 CB 1.592 27 residues pruned to eliminate duplicates J: 26 35.118 2.175 0.910 0.821 0.880 0.360 CB 1.454 25 residues pruned to eliminate duplicates K: 35 39.920 2.182 0.810 0.676 0.941 0.735 CB 1.565 37 residues pruned to eliminate duplicates L: 17 36.751 2.144 1.177 0.919 1.000 0.875 CB 1.387 M: 54 53.025 2.221 0.818 0.712 0.925 0.660 CB 1.610 54 residues pruned to eliminate duplicates N: 27 26.045 2.173 0.397 0.827 0.885 0.654 CB 1.433 27 residues pruned to eliminate duplicates O: 18 35.338 2.152 1.131 0.885 1.000 0.882 CB 1.350 18 residues pruned to eliminate duplicates P: 20 32.092 2.143 0.726 0.901 0.895 0.842 CB 1.589 18 residues pruned to eliminate duplicates Q: 53 47.932 2.212 0.897 0.573 0.923 0.673 CB 1.600 17 residues pruned to eliminate duplicates R: 33 48.857 2.241 0.944 0.752 1.000 0.750 CB 1.584 33 residues pruned to eliminate duplicates S: 48 46.455 2.195 0.885 0.635 0.915 0.723 CB 1.578 40 residues pruned to eliminate duplicates T: 54 48.701 2.191 0.926 0.573 0.925 0.642 CB 1.597 54 residues pruned to eliminate duplicates U: 26 51.587 2.245 1.006 0.898 0.960 0.720 CB 1.707 26 residues pruned to eliminate duplicates V: 18 35.053 2.218 1.007 0.896 0.941 0.647 CB 1.453 18 residues pruned to eliminate duplicates W: 56 54.459 2.200 1.009 0.642 0.964 0.527 CB 1.509 50 residues pruned to eliminate duplicates X: 10 10.338 2.044 0.556 0.352 0.778 0.667 CB 1.635 10 residues pruned to eliminate duplicates Y: 18 41.000 2.247 0.946 0.920 1.000 0.941 CB 1.602 20 residues pruned to eliminate duplicates Z: 27 44.287 2.169 0.810 0.930 0.962 0.654 CB 1.609 27 residues pruned to eliminate duplicates Z: 18 26.487 2.025 0.712 0.877 1.000 0.824 CB 1.346 18 residues pruned to eliminate duplicates Z: 27 52.529 2.241 1.164 0.744 0.962 0.769 CB 1.776 27 residues pruned to eliminate duplicates Z: 23 25.280 2.224 0.663 0.641 0.864 0.682 CB 1.479 23 residues pruned to eliminate duplicates Z: 27 35.534 2.219 0.661 0.895 0.923 0.769 CB 1.468 27 residues pruned to eliminate duplicates Z: 8 6.713 2.003 0.856 0.304 0.714 0.714 CA 1.188 Z: 49 44.442 2.190 0.670 0.667 0.938 0.542 CB 1.603 49 residues pruned to eliminate duplicates Z: 9 16.892 2.159 0.406 0.871 0.875 0.750 CB 1.640 9 residues pruned to eliminate duplicates Z: 8 14.269 2.104 0.277 0.860 0.857 0.714 CA 1.723 Z: 25 21.346 1.962 0.705 0.568 0.833 0.583 CB 1.464 25 residues pruned to eliminate duplicates Z: 27 51.509 2.171 1.040 0.901 1.000 0.654 CB 1.628 27 residues pruned to eliminate duplicates Z: 19 32.094 2.158 0.793 0.898 0.889 0.833 CB 1.573 19 residues pruned to eliminate duplicates Z: 17 36.497 2.108 1.084 0.952 1.000 0.750 CB 1.430 17 residues pruned to eliminate duplicates Z: 51 50.560 2.131 0.900 0.691 0.960 0.700 CB 1.545 51 residues pruned to eliminate duplicates Z: 55 50.169 2.179 0.969 0.590 0.944 0.704 CB 1.546 55 residues pruned to eliminate duplicates Z: 16 17.649 2.145 0.734 0.513 0.933 0.733 CB 1.297 17 residues pruned to eliminate duplicates Z: 23 26.314 1.917 0.780 0.661 0.955 0.727 CB 1.484 Z: 54 45.422 2.170 0.877 0.551 0.906 0.717 CB 1.609 54 residues pruned to eliminate duplicates Z: 54 59.368 2.202 0.918 0.738 0.981 0.698 CB 1.589 54 residues pruned to eliminate duplicates Z: 35 37.649 2.174 0.933 0.665 0.882 0.706 CB 1.495 35 residues pruned to eliminate duplicates Z: 28 18.499 2.024 0.724 0.476 0.852 0.444 CB 1.226 28 residues pruned to eliminate duplicates Z: 17 33.541 2.279 0.665 0.927 1.000 0.750 CB 1.549 17 residues pruned to eliminate duplicates Z: 48 34.836 2.044 0.765 0.649 0.915 0.745 CB 1.340 47 residues pruned to eliminate duplicates Z: 17 28.552 2.262 0.696 0.914 0.875 0.750 CB 1.504 17 residues pruned to eliminate duplicates Z: 12 17.733 2.087 0.690 0.519 1.000 0.636 CB 1.488 12 residues pruned to eliminate duplicates Z: 30 38.873 2.057 0.953 0.692 1.000 0.724 CB 1.507 Z: 17 30.384 2.268 0.671 0.917 0.875 0.875 CB 1.616 17 residues pruned to eliminate duplicates Z: 53 52.887 2.203 0.982 0.598 0.981 0.731 CB 1.560 53 residues pruned to eliminate duplicates Z: 16 18.408 2.043 0.839 0.574 0.867 0.533 CB 1.359 16 residues pruned to eliminate duplicates Z: 18 39.454 2.161 0.985 0.910 1.000 0.765 CB 1.582 18 residues pruned to eliminate duplicates Z: 27 49.344 2.195 0.932 0.896 1.000 0.731 CB 1.634 27 residues pruned to eliminate duplicates Z: 54 46.540 2.111 0.928 0.590 0.925 0.642 CB 1.559 52 residues pruned to eliminate duplicates Z: 21 11.804 1.793 0.693 0.377 0.850 0.500 CB 1.167 21 residues pruned to eliminate duplicates Z: 13 11.770 1.966 0.758 0.407 0.833 0.583 CB 1.301 13 residues pruned to eliminate duplicates Z: 28 35.062 2.077 0.860 0.693 0.963 0.852 CB 1.520 29 residues pruned to eliminate duplicates Z: 11 13.104 2.050 0.251 0.766 0.800 0.800 CB 1.595 10 residues pruned to eliminate duplicates Z: 28 35.405 2.064 0.795 0.867 0.926 0.667 CB 1.453 28 residues pruned to eliminate duplicates Z: 28 44.548 2.138 0.887 0.887 0.963 0.593 CB 1.592 28 residues pruned to eliminate duplicates Z: 37 37.143 2.111 0.888 0.616 0.944 0.667 CB 1.474 37 residues pruned to eliminate duplicates Z: 17 27.608 2.136 0.723 0.900 1.000 0.875 CB 1.339 17 residues pruned to eliminate duplicates Z: 10 28.646 2.206 0.977 0.904 0.889 0.778 CA 1.755 10 residues pruned to eliminate duplicates Z: 19 29.968 2.101 0.693 0.893 0.944 0.889 CB 1.510 19 residues pruned to eliminate duplicates Z: 30 51.305 2.312 1.009 0.778 0.966 0.862 CB 1.661 30 residues pruned to eliminate duplicates Z: 41 58.416 2.173 0.972 0.800 1.000 0.775 CB 1.659 41 residues pruned to eliminate duplicates Z: 26 47.807 2.244 0.848 0.888 1.000 0.720 CB 1.661 26 residues pruned to eliminate duplicates Z: 27 48.711 2.186 0.908 0.903 0.962 0.731 CB 1.698 27 residues pruned to eliminate duplicates Z: 28 48.924 2.130 1.025 0.916 1.000 0.815 CB 1.541 28 residues pruned to eliminate duplicates Z: 70 54.195 2.142 0.918 0.576 0.942 0.725 CB 1.566 108 residues pruned to eliminate duplicates Z: 10 9.793 2.045 0.742 0.346 0.778 0.556 CB 1.393 10 residues pruned to eliminate duplicates Z: 42 45.604 2.187 0.898 0.621 0.951 0.732 CB 1.610 42 residues pruned to eliminate duplicates Z: 19 35.355 2.172 0.864 0.912 0.944 0.556 CB 1.544 19 residues pruned to eliminate duplicates Z: 16 20.045 1.949 0.931 0.671 0.867 0.667 CB 1.356 16 residues pruned to eliminate duplicates Z: 10 14.279 2.113 0.243 0.812 0.778 0.778 CA 1.775 10 residues pruned to eliminate duplicates Z: 72 52.355 2.108 0.904 0.589 0.930 0.718 CB 1.529 72 residues pruned to eliminate duplicates Z: 16 18.261 1.780 0.590 0.900 1.000 0.933 CB 1.190 16 residues pruned to eliminate duplicates Z: 26 42.435 2.129 0.947 0.903 0.920 0.720 CB 1.586 Z: 80 65.108 2.214 0.994 0.688 0.962 0.646 CB 1.451 83 residues pruned to eliminate duplicates Z: 48 43.016 2.121 0.804 0.636 0.957 0.723 CB 1.507 41 residues pruned to eliminate duplicates Z: 9 22.761 2.270 0.750 0.875 0.875 0.750 CB 1.684 9 residues pruned to eliminate duplicates Z: 53 55.157 2.245 0.831 0.725 0.923 0.731 CB 1.646 53 residues pruned to eliminate duplicates Z: 26 26.359 1.954 0.723 0.670 0.920 0.760 CB 1.455 24 residues pruned to eliminate duplicates Z: 27 37.088 2.096 0.846 0.906 0.923 0.654 CB 1.449 27 residues pruned to eliminate duplicates Z: 9 11.194 1.965 0.760 0.563 0.875 0.625 CB 1.230 Z: 13 22.202 2.104 1.106 0.582 0.833 0.750 CA 1.604 13 residues pruned to eliminate duplicates Z: 33 37.106 2.114 0.819 0.704 0.938 0.750 CB 1.512 33 residues pruned to eliminate duplicates Z: 18 31.292 2.032 0.924 0.921 1.000 0.471 CB 1.366 18 residues pruned to eliminate duplicates Z: 24 30.775 2.002 0.813 0.726 0.913 0.826 CB 1.580 25 residues pruned to eliminate duplicates Z: 10 11.399 2.018 0.204 0.720 0.889 0.556 CB 1.442 10 residues pruned to eliminate duplicates Z: 27 32.015 2.149 0.579 0.894 0.923 0.692 CB 1.438 27 residues pruned to eliminate duplicates Z: 31 46.586 2.246 0.914 0.812 0.933 0.867 CB 1.616 31 residues pruned to eliminate duplicates Z: 15 20.648 1.929 0.427 0.923 1.000 1.000 CB 1.409 15 residues pruned to eliminate duplicates Z: 19 32.839 2.145 0.898 0.886 0.889 0.778 CB 1.543 19 residues pruned to eliminate duplicates Z: 28 38.934 2.129 0.790 0.852 0.963 0.741 CB 1.510 28 residues pruned to eliminate duplicates Z: 30 38.376 2.053 0.726 0.828 1.000 0.759 CB 1.515 30 residues pruned to eliminate duplicates Z: 24 50.772 2.218 1.030 0.883 1.000 0.565 CB 1.699 26 residues pruned to eliminate duplicates Z: 29 25.961 2.042 0.763 0.532 0.929 0.536 CB 1.423 29 residues pruned to eliminate duplicates Z: 39 42.762 2.181 0.977 0.674 0.921 0.658 CB 1.487 39 residues pruned to eliminate duplicates Z: 18 43.259 2.146 1.194 0.900 1.000 0.824 CB 1.591 18 residues pruned to eliminate duplicates Z: 15 10.737 1.744 0.736 0.552 0.857 0.571 CB 1.051 9 residues pruned to eliminate duplicates Z: 14 18.324 1.873 0.485 0.917 1.000 0.923 CB 1.289 14 residues pruned to eliminate duplicates Z: 18 10.108 1.809 0.653 0.358 0.824 0.706 CB 1.160 18 residues pruned to eliminate duplicates Z: 19 38.141 2.146 1.262 0.845 1.000 0.667 CB 1.377 19 residues pruned to eliminate duplicates Z: 16 23.870 2.179 0.887 0.528 1.000 0.733 CB 1.458 16 residues pruned to eliminate duplicates Z: 26 38.637 2.263 0.593 0.891 0.960 0.680 CB 1.605 26 residues pruned to eliminate duplicates Z: 18 38.650 2.202 0.876 0.916 1.000 0.941 CB 1.603 18 residues pruned to eliminate duplicates Z: 18 36.159 2.056 1.258 0.915 1.000 0.706 CB 1.335 18 residues pruned to eliminate duplicates Z: 30 29.161 1.995 0.850 0.533 0.931 0.621 CB 1.525 22 residues pruned to eliminate duplicates Z: 41 50.886 2.250 0.825 0.775 0.950 0.725 CB 1.618 41 residues pruned to eliminate duplicates Z: 27 41.123 2.225 0.766 0.921 1.000 0.538 CB 1.444 27 residues pruned to eliminate duplicates Z: 28 32.219 2.135 0.501 0.875 0.963 0.519 CB 1.461 28 residues pruned to eliminate duplicates Z: 11 18.371 1.946 0.459 0.855 1.000 0.800 CB 1.510 11 residues pruned to eliminate duplicates Z: 15 17.552 1.916 0.830 0.542 0.929 0.643 CB 1.382 Z: 26 44.347 2.191 0.797 0.919 1.000 0.560 CB 1.588 26 residues pruned to eliminate duplicates Z: 17 16.274 2.010 0.832 0.438 0.812 0.562 CB 1.450 Z: 17 36.953 2.219 0.777 0.930 1.000 1.000 CB 1.638 17 residues pruned to eliminate duplicates Z: 11 18.715 2.098 0.681 0.752 0.900 0.600 CB 1.488 11 residues pruned to eliminate duplicates Z: 15 20.803 2.023 1.018 0.514 0.929 0.643 CB 1.445 15 residues pruned to eliminate duplicates Z: 11 23.062 2.178 0.697 0.758 1.000 1.000 CB 1.568 11 residues pruned to eliminate duplicates Z: 28 31.710 2.128 0.505 0.885 0.963 0.704 CB 1.428 28 residues pruned to eliminate duplicates Z: 63 56.618 2.162 0.924 0.605 0.968 0.613 CB 1.616 102 residues pruned to eliminate duplicates Z: 27 28.547 2.186 0.464 0.898 0.885 0.615 CB 1.415 27 residues pruned to eliminate duplicates Z: 30 35.063 2.067 0.893 0.669 0.931 0.759 CB 1.528 30 residues pruned to eliminate duplicates Z: 17 36.319 2.225 1.013 0.936 0.938 0.812 CB 1.506 17 residues pruned to eliminate duplicates Z: 21 18.391 2.034 0.604 0.526 0.900 0.600 CB 1.364 21 residues pruned to eliminate duplicates Z: 11 25.505 2.274 0.761 0.916 1.000 0.700 CB 1.422 11 residues pruned to eliminate duplicates Z: 28 33.266 2.147 0.560 0.877 0.926 0.667 CB 1.500 28 residues pruned to eliminate duplicates Z: 82 58.445 2.174 0.775 0.679 0.938 0.679 CB 1.521 82 residues pruned to eliminate duplicates Z: 19 27.071 2.134 0.589 0.902 0.944 0.833 CB 1.421 19 residues pruned to eliminate duplicates Z: 55 56.305 2.202 0.908 0.703 0.944 0.685 CB 1.605 55 residues pruned to eliminate duplicates Z: 18 30.751 2.194 0.970 0.892 0.882 0.588 CB 1.405 18 residues pruned to eliminate duplicates Z: 27 56.012 2.156 1.182 0.917 1.000 0.654 CB 1.648 24 residues pruned to eliminate duplicates Z: 27 32.483 2.193 0.819 0.883 0.846 0.423 CB 1.365 27 residues pruned to eliminate duplicates Z: 11 28.405 2.066 1.089 0.880 0.900 0.900 CA 1.676 11 residues pruned to eliminate duplicates Z: 11 13.991 1.984 0.308 0.843 0.900 0.500 CB 1.410 11 residues pruned to eliminate duplicates Z: 41 48.002 2.238 0.921 0.766 0.900 0.675 CB 1.549 41 residues pruned to eliminate duplicates Z: 11 24.542 2.029 0.855 0.886 0.900 0.800 CB 1.653 11 residues pruned to eliminate duplicates Z: 17 39.576 2.174 1.205 0.932 1.000 0.750 CB 1.441 17 residues pruned to eliminate duplicates Z: 27 35.929 2.141 0.646 0.912 0.962 0.692 CB 1.472 27 residues pruned to eliminate duplicates Z: 19 38.035 2.140 1.279 0.842 1.000 0.778 CB 1.369 19 residues pruned to eliminate duplicates Z: 42 41.289 2.095 0.932 0.639 0.951 0.756 CB 1.471 42 residues pruned to eliminate duplicates Z: 17 34.539 2.165 1.011 0.939 1.000 0.812 CB 1.379 17 residues pruned to eliminate duplicates Z: 27 36.776 2.163 0.558 0.882 0.962 0.462 CB 1.610 27 residues pruned to eliminate duplicates Z: 14 23.570 2.027 1.207 0.581 0.923 0.615 CB 1.464 14 residues pruned to eliminate duplicates Z: 26 42.172 2.214 0.791 0.898 0.920 0.680 CB 1.654 26 residues pruned to eliminate duplicates Z: 17 32.529 2.142 1.206 0.908 0.875 0.438 CB 1.397 17 residues pruned to eliminate duplicates Z: 28 38.791 2.162 0.735 0.869 0.963 0.667 CB 1.510 28 residues pruned to eliminate duplicates Z: 19 19.560 2.007 0.820 0.527 0.833 0.556 CB 1.475 Z: 27 46.008 2.142 0.879 0.913 0.962 0.769 CB 1.650 27 residues pruned to eliminate duplicates Z: 31 44.462 2.275 0.861 0.750 0.933 0.833 CB 1.643 31 residues pruned to eliminate duplicates Z: 26 44.733 2.244 0.758 0.915 0.960 0.800 CB 1.670 26 residues pruned to eliminate duplicates Z: 23 21.557 1.898 0.547 0.845 0.955 0.773 CB 1.219 Z: 28 48.156 2.130 1.012 0.919 0.963 0.704 CB 1.582 28 residues pruned to eliminate duplicates Z: 16 23.367 1.878 0.771 0.925 1.000 0.867 CB 1.273 15 residues pruned to eliminate duplicates Z: 10 20.401 2.147 0.371 0.839 1.000 0.778 CB 1.725 10 residues pruned to eliminate duplicates Z: 25 40.031 2.250 0.784 0.890 0.917 0.750 CB 1.598 25 residues pruned to eliminate duplicates Z: 15 23.017 1.901 0.551 0.946 1.000 0.929 CB 1.443 15 residues pruned to eliminate duplicates Z: 14 15.278 2.020 0.639 0.504 0.923 0.769 CB 1.382 14 residues pruned to eliminate duplicates Z: 27 28.414 2.073 0.820 0.599 0.962 0.654 CB 1.398 27 residues pruned to eliminate duplicates Z: 12 19.610 2.032 0.832 0.879 0.818 0.818 CB 1.408 12 residues pruned to eliminate duplicates Z: 18 37.919 2.192 1.255 0.918 0.941 0.647 CB 1.393 18 residues pruned to eliminate duplicates Z: 98 66.840 2.162 0.921 0.653 0.928 0.629 CB 1.528 98 residues pruned to eliminate duplicates Z: 23 31.928 2.101 0.752 0.707 1.000 0.818 CB 1.532 23 residues pruned to eliminate duplicates Z: 54 56.683 2.209 0.848 0.725 0.981 0.717 CB 1.588 98 residues pruned to eliminate duplicates Z: 53 46.549 2.127 0.770 0.645 0.942 0.577 CB 1.589 53 residues pruned to eliminate duplicates Z: 25 43.387 2.261 0.710 0.919 1.000 0.667 CB 1.614 25 residues pruned to eliminate duplicates Z: 13 17.503 1.894 0.581 0.798 0.833 0.583 CB 1.559 13 residues pruned to eliminate duplicates Z: 15 32.530 2.104 1.113 0.736 0.929 0.857 CA 1.704 15 residues pruned to eliminate duplicates Z: 11 20.287 1.998 0.663 0.927 1.000 0.900 CB 1.352 11 residues pruned to eliminate duplicates Z: 18 30.935 2.193 0.848 0.898 0.941 0.647 CB 1.406 18 residues pruned to eliminate duplicates Z: 18 22.613 2.158 0.371 0.930 0.941 0.941 CB 1.377 18 residues pruned to eliminate duplicates Z: 11 20.881 2.051 0.650 0.830 0.900 0.500 CA 1.630 11 residues pruned to eliminate duplicates Z: 27 33.441 2.227 0.674 0.910 0.846 0.615 CB 1.474 27 residues pruned to eliminate duplicates Z: 15 25.265 1.866 0.861 0.902 1.000 0.929 CB 1.387 15 residues pruned to eliminate duplicates Z: 11 7.568 1.958 0.043 0.731 0.700 0.400 CB 1.360 11 residues pruned to eliminate duplicates Z: 78 57.653 2.184 0.893 0.665 0.909 0.636 CB 1.500 78 residues pruned to eliminate duplicates Z: 32 30.362 2.014 0.840 0.556 0.968 0.677 CB 1.440 32 residues pruned to eliminate duplicates Z: 12 19.127 2.012 0.342 0.860 1.000 0.727 CB 1.569 12 residues pruned to eliminate duplicates Z: 25 25.771 1.992 0.534 0.901 0.958 0.750 CB 1.283 23 residues pruned to eliminate duplicates Z: 82 67.150 2.190 0.882 0.681 0.951 0.642 CB 1.612 82 residues pruned to eliminate duplicates Z: 45 46.787 2.116 0.861 0.749 0.932 0.705 CB 1.539 45 residues pruned to eliminate duplicates Z: 17 36.733 2.159 1.170 0.916 1.000 0.688 CB 1.384 17 residues pruned to eliminate duplicates Z: 15 23.860 1.917 0.581 0.936 1.000 0.929 CB 1.465 15 residues pruned to eliminate duplicates Z: 17 20.927 1.829 0.542 0.903 1.000 0.875 CB 1.323 17 residues pruned to eliminate duplicates Z: 10 26.309 2.143 0.902 0.911 0.889 0.556 CB 1.715 Z: 56 43.991 2.064 0.942 0.572 0.945 0.582 CB 1.460 56 residues pruned to eliminate duplicates Z: 20 17.713 1.869 0.630 0.514 0.947 0.632 CB 1.390 15 residues pruned to eliminate duplicates Z: 17 33.390 2.180 0.839 0.897 1.000 1.000 CB 1.490 17 residues pruned to eliminate duplicates Z: 28 25.905 2.104 0.867 0.544 0.889 0.667 CB 1.367 28 residues pruned to eliminate duplicates Z: 28 44.075 2.145 0.882 0.879 1.000 0.815 CB 1.523 28 residues pruned to eliminate duplicates Z: 26 23.319 1.976 0.456 0.870 0.920 0.720 CB 1.286 25 residues pruned to eliminate duplicates Z: 53 49.056 2.195 0.922 0.571 0.942 0.750 CB 1.598 53 residues pruned to eliminate duplicates Z: 26 49.036 2.209 0.926 0.923 1.000 0.800 CB 1.619 10 residues pruned to eliminate duplicates Z: 27 47.083 2.137 0.944 0.918 1.000 0.923 CB 1.567 27 residues pruned to eliminate duplicates Z: 61 43.661 2.154 0.744 0.621 0.883 0.733 CB 1.515 26 residues pruned to eliminate duplicates Z: 15 14.686 1.986 0.649 0.496 0.929 0.357 CB 1.295 Z: 11 12.566 2.132 0.025 0.754 1.000 0.900 CA 1.450 11 residues pruned to eliminate duplicates Z: 28 35.021 2.147 0.721 0.851 0.926 0.519 CB 1.458 28 residues pruned to eliminate duplicates Z: 17 21.029 1.830 0.681 0.927 1.000 0.938 CB 1.197 Z: 32 42.276 2.205 0.809 0.739 0.968 0.871 CB 1.588 32 residues pruned to eliminate duplicates Z: 28 37.604 2.172 0.605 0.862 0.963 0.667 CB 1.584 28 residues pruned to eliminate duplicates Z: 28 42.349 2.153 0.782 0.875 1.000 0.704 CB 1.545 28 residues pruned to eliminate duplicates Z: 17 29.319 2.121 0.907 0.873 0.938 0.500 CB 1.408 17 residues pruned to eliminate duplicates Z: 13 18.909 1.859 0.658 0.794 0.917 0.583 CB 1.493 13 residues pruned to eliminate duplicates Z: 103 70.355 2.172 0.880 0.645 0.941 0.647 CB 1.583 103 residues pruned to eliminate duplicates Z: 55 55.232 2.157 1.143 0.644 0.926 0.759 CB 1.536 53 residues pruned to eliminate duplicates Z: 27 47.002 2.145 1.075 0.851 0.923 0.731 CB 1.660 27 residues pruned to eliminate duplicates Z: 28 34.424 2.029 0.793 0.849 0.926 0.741 CB 1.457 28 residues pruned to eliminate duplicates Z: 67 51.297 2.102 0.933 0.669 0.909 0.591 CB 1.463 93 residues pruned to eliminate duplicates Z: 13 30.880 2.208 1.099 0.794 1.000 0.917 CB 1.487 19 residues pruned to eliminate duplicates Z: 27 29.741 2.212 0.566 0.857 0.846 0.654 CB 1.466 27 residues pruned to eliminate duplicates Z: 19 6.530 1.724 0.131 0.308 0.944 0.278 CB 1.034 Z: 20 24.053 1.882 0.712 0.880 0.947 0.789 CB 1.310 20 residues pruned to eliminate duplicates Z: 25 25.994 1.964 0.514 0.924 1.000 0.792 CB 1.252 26 residues pruned to eliminate duplicates Z: 54 49.716 2.125 0.921 0.657 0.925 0.660 CB 1.564 69 residues pruned to eliminate duplicates Z: 42 53.274 2.239 0.931 0.767 0.951 0.683 CB 1.597 42 residues pruned to eliminate duplicates Z: 6 6.472 1.303 1.257 0.772 0.800 0.600 N 0.967 Z: 25 26.080 1.973 0.649 0.914 0.958 0.625 CB 1.208 24 residues pruned to eliminate duplicates Z: 14 16.829 1.856 0.680 0.850 1.000 0.538 CB 1.109 14 residues pruned to eliminate duplicates Z: 10 15.820 2.100 0.323 0.764 1.000 0.778 CB 1.502 10 residues pruned to eliminate duplicates Z: 14 14.191 1.893 0.698 0.510 0.846 0.846 N 1.432 Z: 7 3.577 1.799 0.224 0.306 0.667 0.500 CA 1.234 7 residues pruned to eliminate duplicates Z: 31 42.868 2.183 0.963 0.657 0.933 0.767 CB 1.691 31 residues pruned to eliminate duplicates Z: 51 50.239 2.166 0.843 0.697 0.940 0.660 CB 1.583 51 residues pruned to eliminate duplicates Z: 37 38.655 2.090 0.727 0.795 1.000 0.694 CB 1.379 38 residues pruned to eliminate duplicates Z: 39 39.941 2.176 0.849 0.668 0.921 0.658 CB 1.496 56 residues pruned to eliminate duplicates Z: 27 26.897 2.079 0.863 0.517 0.962 0.615 CB 1.393 28 residues pruned to eliminate duplicates Z: 55 52.047 2.147 1.075 0.598 0.944 0.648 CB 1.533 55 residues pruned to eliminate duplicates Z: 17 41.616 2.247 1.187 0.948 1.000 0.562 CB 1.462 17 residues pruned to eliminate duplicates Z: 14 21.006 1.898 0.593 0.934 1.000 1.000 CB 1.343 14 residues pruned to eliminate duplicates Z: 53 42.736 2.100 0.865 0.639 0.942 0.654 CB 1.410 53 residues pruned to eliminate duplicates Z: 51 35.523 2.066 0.578 0.702 0.940 0.620 CB 1.364 89 residues pruned to eliminate duplicates Z: 26 30.284 2.113 0.941 0.571 0.960 0.640 CB 1.436 26 residues pruned to eliminate duplicates Z: 92 74.782 2.234 0.934 0.686 0.945 0.714 CB 1.619 92 residues pruned to eliminate duplicates Z: 56 48.484 2.137 0.977 0.595 0.927 0.618 CB 1.524 56 residues pruned to eliminate duplicates Z: 14 25.638 1.944 0.851 0.924 1.000 0.846 CB 1.388 14 residues pruned to eliminate duplicates Z: 20 28.154 2.153 0.723 0.899 0.895 0.421 CB 1.391 20 residues pruned to eliminate duplicates Z: 27 33.137 2.188 0.647 0.860 0.885 0.500 CB 1.498 27 residues pruned to eliminate duplicates Z: 13 15.231 1.807 0.694 0.840 0.917 0.500 CB 1.169 Z: 27 51.347 2.165 1.025 0.913 1.000 0.769 CB 1.626 Z: 26 25.439 1.985 0.512 0.913 1.000 0.880 CB 1.200 13 residues pruned to eliminate duplicates Z: 28 42.761 2.126 0.935 0.884 0.963 0.667 CB 1.501 45 residues pruned to eliminate duplicates Z: 26 26.491 1.964 0.586 0.859 1.000 0.640 CB 1.252 26 residues pruned to eliminate duplicates Z: 14 7.988 1.758 0.687 0.381 0.846 0.538 CB 1.002 15 residues pruned to eliminate duplicates Z: 14 20.711 1.917 0.490 0.918 1.000 0.692 CB 1.419 14 residues pruned to eliminate duplicates Z: 28 31.353 2.135 0.567 0.856 0.889 0.593 CB 1.496 28 residues pruned to eliminate duplicates Z: 26 26.185 1.975 0.703 0.895 0.920 0.560 CB 1.213 26 residues pruned to eliminate duplicates Z: 10 8.110 1.928 0.048 0.893 1.000 0.889 CB 0.961 10 residues pruned to eliminate duplicates Z: 55 52.786 2.191 0.885 0.693 0.926 0.630 CB 1.574 55 residues pruned to eliminate duplicates Z: 10 13.968 2.130 0.193 0.762 1.000 0.667 CB 1.451 10 residues pruned to eliminate duplicates Z: 27 43.005 2.134 0.786 0.888 1.000 0.615 CB 1.595 27 residues pruned to eliminate duplicates Z: 39 34.018 2.073 0.548 0.816 1.000 0.763 CB 1.307 26 residues pruned to eliminate duplicates Z: 33 46.933 2.197 1.136 0.671 0.969 0.688 CB 1.558 33 residues pruned to eliminate duplicates Z: 59 44.182 2.065 0.834 0.578 0.914 0.707 CB 1.555 59 residues pruned to eliminate duplicates Z: 25 24.466 1.999 0.464 0.886 0.917 0.708 CB 1.343 25 residues pruned to eliminate duplicates Z: 53 44.445 2.110 0.908 0.552 0.923 0.635 CB 1.577 53 residues pruned to eliminate duplicates Z: 49 48.978 2.132 1.059 0.635 0.917 0.583 CB 1.548 49 residues pruned to eliminate duplicates Z: 9 18.301 2.033 0.626 0.748 1.000 0.750 CB 1.569 Z: 17 32.829 2.186 0.609 0.941 1.000 1.000 CB 1.619 17 residues pruned to eliminate duplicates Z: 28 41.521 2.149 0.745 0.879 1.000 0.667 CB 1.545 28 residues pruned to eliminate duplicates Z: 26 25.271 1.962 0.560 0.889 1.000 0.600 CB 1.188 26 residues pruned to eliminate duplicates Z: 65 43.693 2.107 0.735 0.529 0.922 0.656 CB 1.575 74 residues pruned to eliminate duplicates Z: 29 28.487 2.094 0.467 0.836 0.893 0.643 CB 1.469 29 residues pruned to eliminate duplicates Z: 16 22.769 1.906 0.733 0.916 1.000 0.867 CB 1.257 Z: 28 43.806 2.161 0.935 0.854 0.963 0.778 CB 1.545 28 residues pruned to eliminate duplicates Z: 18 32.275 2.072 1.127 0.929 0.941 0.647 CB 1.321 18 residues pruned to eliminate duplicates Z: 27 45.922 2.158 0.880 0.903 1.000 0.731 CB 1.582 27 residues pruned to eliminate duplicates Z: 43 34.674 2.056 0.881 0.591 0.929 0.643 CB 1.366 59 residues pruned to eliminate duplicates Z: 13 12.996 1.791 0.663 0.588 1.000 0.667 CB 1.157 14 residues pruned to eliminate duplicates Z: 9 14.409 1.987 0.469 0.858 1.000 0.750 CB 1.286 10 residues pruned to eliminate duplicates Z: 26 24.923 1.969 0.640 0.888 0.920 0.560 CB 1.209 26 residues pruned to eliminate duplicates Z: 16 25.831 1.901 1.019 0.891 1.000 0.600 CB 1.249 Z: 26 21.993 1.976 0.529 0.889 0.880 0.680 CB 1.191 26 residues pruned to eliminate duplicates Z: 108 74.630 2.170 1.003 0.636 0.944 0.664 CB 1.548 108 residues pruned to eliminate duplicates Z: 25 44.312 2.237 0.750 0.894 1.000 0.750 CB 1.658 25 residues pruned to eliminate duplicates Z: 42 49.631 2.207 0.868 0.734 0.951 0.659 CB 1.602 42 residues pruned to eliminate duplicates Z: 27 36.785 2.143 0.725 0.887 0.923 0.692 CB 1.525 27 residues pruned to eliminate duplicates Z: 15 16.843 1.955 0.960 0.488 0.786 0.643 CB 1.514 15 residues pruned to eliminate duplicates Z: 10 14.480 2.099 0.904 0.655 0.889 0.778 CB 1.177 10 residues pruned to eliminate duplicates Z: 6 13.000 2.076 0.654 0.777 1.000 1.000 CA 1.326 6 residues pruned to eliminate duplicates Z: 17 21.043 1.799 0.637 0.942 1.000 0.812 CB 1.239 15 residues pruned to eliminate duplicates Z: 13 5.105 1.517 0.122 0.410 0.917 0.750 CB 1.038 Z: 38 31.504 2.060 0.510 0.781 0.973 0.730 CB 1.336 38 residues pruned to eliminate duplicates Z: 15 23.783 2.025 1.032 0.643 0.929 0.714 CB 1.456 15 residues pruned to eliminate duplicates Z: 25 23.946 1.971 0.513 0.890 0.917 0.708 CB 1.286 25 residues pruned to eliminate duplicates Z: 7 3.372 1.741 -0.190 0.729 0.833 0.833 CB 0.953 6 residues pruned to eliminate duplicates Z: 24 24.413 2.031 0.960 0.489 0.870 0.609 CB 1.487 24 residues pruned to eliminate duplicates Z: 7 3.566 1.610 -0.129 0.518 1.000 0.667 CB 1.020 Z: 17 13.506 1.895 0.537 0.860 0.875 0.562 CB 0.975 17 residues pruned to eliminate duplicates Z: 26 24.256 1.983 0.560 0.893 0.920 0.600 CB 1.224 26 residues pruned to eliminate duplicates Z: 34 41.770 2.221 0.955 0.692 0.909 0.667 CB 1.545 34 residues pruned to eliminate duplicates Z: 11 7.476 1.826 0.021 0.451 1.000 0.600 CB 1.333 11 residues pruned to eliminate duplicates Z: 20 26.543 2.079 0.595 0.867 0.947 0.632 CB 1.418 20 residues pruned to eliminate duplicates Z: 10 5.196 1.553 0.316 0.452 0.889 0.444 CB 1.002 Z: 27 22.942 1.927 0.449 0.831 0.962 0.769 CB 1.259 27 residues pruned to eliminate duplicates Z: 45 52.609 2.137 1.199 0.669 0.932 0.750 CB 1.549 45 residues pruned to eliminate duplicates Z: 26 30.832 2.252 0.457 0.901 0.920 0.680 CB 1.459 26 residues pruned to eliminate duplicates Z: 17 36.220 2.039 1.007 0.939 1.000 0.750 CB 1.538 17 residues pruned to eliminate duplicates Z: 69 47.985 2.086 0.994 0.560 0.912 0.574 CB 1.447 69 residues pruned to eliminate duplicates Z: 28 39.156 2.109 0.858 0.850 0.926 0.667 CB 1.538 28 residues pruned to eliminate duplicates Z: 25 26.463 1.982 0.462 0.882 1.000 0.750 CB 1.348 25 residues pruned to eliminate duplicates Z: 9 6.057 1.711 -0.037 0.563 0.875 0.625 CB 1.397 Z: 15 13.921 1.856 0.589 0.556 0.929 0.643 CB 1.286 15 residues pruned to eliminate duplicates Z: 10 17.370 2.130 0.728 0.751 0.889 0.556 CB 1.415 10 residues pruned to eliminate duplicates Z: 15 21.469 1.912 0.556 0.878 1.000 0.929 CB 1.400 15 residues pruned to eliminate duplicates Z: 27 48.716 2.168 1.076 0.896 0.923 0.731 CB 1.647 27 residues pruned to eliminate duplicates Z: 11 14.083 1.863 0.561 0.834 1.000 0.600 CB 1.147 11 residues pruned to eliminate duplicates Z: 25 44.484 2.247 0.764 0.887 1.000 0.750 CB 1.651 25 residues pruned to eliminate duplicates Z: 16 18.415 1.981 0.832 0.647 0.867 0.667 CB 1.318 16 residues pruned to eliminate duplicates Z: 6 4.377 1.645 0.362 0.345 0.800 0.600 CB 1.293 Z: 34 25.549 1.987 0.658 0.535 0.909 0.576 CB 1.434 47 residues pruned to eliminate duplicates Z: 10 5.784 1.639 0.161 0.459 0.889 0.556 CB 1.189 Z: 11 13.389 2.011 0.346 0.747 0.900 0.500 CB 1.395 11 residues pruned to eliminate duplicates Z: 28 41.927 2.046 0.830 0.915 1.000 0.852 CA 1.522 28 residues pruned to eliminate duplicates Z: 10 4.858 1.738 -0.177 0.704 1.000 0.778 CB 0.941 Z: 13 14.714 1.885 0.749 0.437 1.000 0.667 CB 1.375 13 residues pruned to eliminate duplicates Z: 7 8.642 1.880 0.166 0.817 0.833 0.667 CA 1.466 7 residues pruned to eliminate duplicates Z: 51 49.936 2.197 0.785 0.707 0.940 0.640 CB 1.587 84 residues pruned to eliminate duplicates Z: 15 19.310 2.064 1.006 0.597 0.857 0.643 CB 1.325 Z: 15 26.685 1.997 0.977 0.752 1.000 0.857 CB 1.442 15 residues pruned to eliminate duplicates Z: 49 41.593 2.129 0.773 0.639 0.938 0.646 CB 1.489 49 residues pruned to eliminate duplicates Z: 10 9.485 1.825 0.313 0.599 0.889 0.556 CB 1.351 Z: 10 17.564 2.103 0.574 0.760 1.000 0.556 CB 1.404 10 residues pruned to eliminate duplicates Z: 14 21.620 1.901 0.579 0.916 1.000 0.846 CB 1.411 14 residues pruned to eliminate duplicates Z: 27 40.349 2.198 0.818 0.860 0.962 0.731 CB 1.514 27 residues pruned to eliminate duplicates Z: 31 44.989 2.270 0.907 0.709 0.967 0.833 CB 1.624 31 residues pruned to eliminate duplicates Z: 12 9.161 1.894 0.506 0.494 0.909 0.636 CB 1.072 Z: 15 27.298 1.910 0.904 0.894 1.000 0.714 CB 1.440 18 residues pruned to eliminate duplicates Z: 6 5.358 1.419 1.053 0.661 0.800 0.800 CA 0.886 6 residues pruned to eliminate duplicates Z: 17 29.718 2.233 0.526 0.902 1.000 0.812 CB 1.556 17 residues pruned to eliminate duplicates Z: 28 19.888 1.966 0.861 0.467 0.778 0.556 CB 1.391 28 residues pruned to eliminate duplicates Z: 16 15.885 1.878 0.793 0.525 0.933 0.600 CB 1.273 16 residues pruned to eliminate duplicates Z: 15 20.596 1.963 0.644 0.935 1.000 0.643 CB 1.189 15 residues pruned to eliminate duplicates Z: 12 14.206 1.889 0.465 0.696 0.909 0.455 CB 1.423 12 residues pruned to eliminate duplicates Z: 19 12.669 1.773 0.606 0.420 0.889 0.500 CB 1.282 17 residues pruned to eliminate duplicates Z: 16 14.512 1.903 0.541 0.472 1.000 0.533 CB 1.314 16 residues pruned to eliminate duplicates Z: 6 7.062 1.805 0.029 0.864 1.000 0.800 CB 1.247 Z: 26 23.241 1.970 0.697 0.917 0.880 0.600 CB 1.115 26 residues pruned to eliminate duplicates Z: 7 2.335 1.730 0.158 0.227 0.500 0.333 N 1.309 Z: 17 21.671 1.750 0.841 0.925 1.000 0.750 CB 1.180 17 residues pruned to eliminate duplicates Z: 62 41.737 2.107 0.832 0.525 0.902 0.639 CB 1.498 89 residues pruned to eliminate duplicates Z: 12 16.619 2.061 0.864 0.599 0.909 0.636 CB 1.305 12 residues pruned to eliminate duplicates Z: 41 59.059 2.212 1.074 0.806 0.975 0.800 CB 1.598 41 residues pruned to eliminate duplicates Z: 28 35.911 2.113 0.809 0.867 0.889 0.741 CB 1.488 28 residues pruned to eliminate duplicates Z: 28 36.460 2.102 0.629 0.859 1.000 0.852 CB 1.508 28 residues pruned to eliminate duplicates Z: 15 9.468 1.714 0.842 0.378 0.857 0.571 CB 1.065 14 residues pruned to eliminate duplicates Z: 10 10.622 1.832 0.742 0.386 0.889 0.556 CB 1.409 Z: 12 12.366 1.769 0.774 0.676 1.000 0.636 CB 1.010 Z: 30 46.857 2.252 0.912 0.800 0.966 0.828 CB 1.610 30 residues pruned to eliminate duplicates Z: 84 48.597 2.062 0.803 0.566 0.928 0.675 CB 1.451 84 residues pruned to eliminate duplicates Z: 10 3.824 1.736 0.212 0.323 0.667 0.333 CB 1.105 10 residues pruned to eliminate duplicates Z: 13 27.124 2.183 0.987 0.802 0.917 0.833 CB 1.513 15 residues pruned to eliminate duplicates Z: 22 24.967 2.031 0.432 0.828 0.905 0.714 CB 1.559 22 residues pruned to eliminate duplicates Z: 16 10.576 1.626 0.840 0.436 0.933 0.533 CB 1.045 15 residues pruned to eliminate duplicates Z: 25 22.707 1.985 0.356 0.855 0.958 0.833 CB 1.327 25 residues pruned to eliminate duplicates Z: 16 25.652 1.898 0.832 0.931 1.000 0.933 CB 1.331 16 residues pruned to eliminate duplicates Z: 27 34.476 2.209 0.607 0.902 0.923 0.692 CB 1.472 27 residues pruned to eliminate duplicates Z: 24 20.921 1.932 0.534 0.867 0.913 0.783 CB 1.179 24 residues pruned to eliminate duplicates Z: 8 7.215 1.733 0.319 0.558 0.857 0.714 CB 1.316 9 residues pruned to eliminate duplicates Z: 25 36.548 2.161 0.578 0.897 0.958 0.750 CB 1.634 Z: 11 17.827 2.046 0.484 0.757 0.900 0.500 CA 1.642 11 residues pruned to eliminate duplicates Z: 14 20.962 1.917 0.497 0.921 1.000 0.846 CB 1.426 14 residues pruned to eliminate duplicates Z: 24 26.278 1.995 0.554 0.891 1.000 0.696 CB 1.271 24 residues pruned to eliminate duplicates Z: 51 30.294 2.003 0.492 0.700 0.920 0.640 CB 1.299 90 residues pruned to eliminate duplicates Z: 11 16.478 2.051 0.416 0.759 0.900 0.500 CB 1.584 11 residues pruned to eliminate duplicates Z: 14 7.503 1.772 0.684 0.341 0.769 0.308 CB 1.078 19 residues pruned to eliminate duplicates Z: 17 21.235 1.799 0.891 0.872 0.938 0.625 CB 1.213 17 residues pruned to eliminate duplicates Z: 52 55.749 2.220 0.934 0.721 0.941 0.745 CB 1.583 52 residues pruned to eliminate duplicates Z: 9 3.811 1.665 -0.084 0.601 0.875 0.625 CB 0.917 Z: 14 9.976 1.811 0.386 0.602 0.769 0.769 CB 1.300 9 residues pruned to eliminate duplicates Z: 26 39.552 2.042 1.024 0.750 1.000 0.800 CA 1.531 41 residues pruned to eliminate duplicates Z: 38 28.508 1.956 0.633 0.661 0.946 0.757 CB 1.337 Z: 25 26.326 1.950 0.698 0.880 0.958 0.625 CB 1.227 24 residues pruned to eliminate duplicates Z: 6 5.565 1.796 0.558 0.452 0.800 0.600 CB 1.168 Z: 6 6.016 1.469 0.430 0.681 1.000 0.600 CA 1.085 5 residues pruned to eliminate duplicates Z: 44 29.479 2.043 0.617 0.605 0.907 0.535 CB 1.358 44 residues pruned to eliminate duplicates Z: 20 15.250 2.008 0.665 0.397 0.789 0.474 CB 1.478 20 residues pruned to eliminate duplicates Z: 12 14.506 1.809 0.770 0.581 1.000 0.636 CB 1.263 12 residues pruned to eliminate duplicates Z: 6 3.818 1.905 -0.244 0.823 1.000 1.000 CB 0.896 6 residues pruned to eliminate duplicates Z: 129 61.831 2.109 0.664 0.656 0.922 0.633 CB 1.461 121 residues pruned to eliminate duplicates Z: 17 31.888 2.148 0.825 0.931 1.000 0.812 CB 1.422 17 residues pruned to eliminate duplicates Z: 40 47.980 2.239 0.917 0.637 0.923 0.590 CB 1.706 40 residues pruned to eliminate duplicates Z: 12 25.333 2.011 0.846 0.940 1.000 0.818 CB 1.429 12 residues pruned to eliminate duplicates Z: 11 20.233 2.047 0.610 0.883 1.000 0.800 CB 1.403 11 residues pruned to eliminate duplicates Z: 53 60.349 2.169 1.115 0.678 0.981 0.769 CB 1.579 54 residues pruned to eliminate duplicates Z: 31 48.058 2.166 1.111 0.712 0.967 0.800 CB 1.637 33 residues pruned to eliminate duplicates Z: 12 17.116 2.263 0.530 0.627 1.000 0.636 CB 1.323 12 residues pruned to eliminate duplicates Z: 15 22.265 1.937 0.560 0.914 1.000 1.000 CB 1.393 Z: 32 44.177 2.240 0.842 0.772 0.968 0.903 CB 1.562 32 residues pruned to eliminate duplicates Z: 11 20.078 1.998 0.847 0.673 1.000 0.800 CB 1.466 11 residues pruned to eliminate duplicates Z: 25 21.745 1.970 0.341 0.858 0.958 0.708 CB 1.291 25 residues pruned to eliminate duplicates Z: 6 5.109 1.595 0.041 0.856 1.000 1.000 CA 1.015 5 residues pruned to eliminate duplicates Z: 26 24.537 1.980 0.593 0.857 0.960 0.880 CB 1.194 26 residues pruned to eliminate duplicates Z: 27 43.253 2.166 0.773 0.905 0.962 0.654 CB 1.635 25 residues pruned to eliminate duplicates Z: 53 50.473 2.202 0.908 0.598 0.942 0.692 CB 1.611 53 residues pruned to eliminate duplicates Z: 7 5.498 1.879 0.243 0.801 0.833 0.667 CB 0.886 7 residues pruned to eliminate duplicates Z: 26 25.750 1.971 0.532 0.893 1.000 0.720 CB 1.224 26 residues pruned to eliminate duplicates Z: 29 36.271 2.170 0.782 0.638 0.964 0.750 CB 1.616 28 residues pruned to eliminate duplicates Z: 29 33.072 2.095 0.540 0.868 0.964 0.607 CB 1.469 29 residues pruned to eliminate duplicates Z: 16 6.409 1.550 0.253 0.443 0.933 0.400 CB 0.968 Z: 46 35.000 2.138 0.790 0.558 0.867 0.511 CB 1.487 46 residues pruned to eliminate duplicates Z: 8 4.898 1.741 0.552 0.532 0.714 0.571 CB 0.929 8 residues pruned to eliminate duplicates Z: 9 6.057 1.795 0.690 0.453 0.625 0.625 CB 1.186 9 residues pruned to eliminate duplicates Z: 39 47.298 2.190 0.833 0.745 0.947 0.763 CB 1.621 39 residues pruned to eliminate duplicates Z: 8 13.810 1.986 0.548 0.858 1.000 0.857 CB 1.250 8 residues pruned to eliminate duplicates Z: 28 40.523 2.086 0.971 0.747 1.000 0.889 CB 1.522 43 residues pruned to eliminate duplicates Z: 6 9.070 1.900 0.501 0.740 0.800 0.600 CB 1.433 Z: 25 25.757 1.986 0.445 0.891 1.000 0.875 CB 1.316 25 residues pruned to eliminate duplicates 6 1.902 1.497 0.580 0.461 0.800 0.800 CB 0.468 ? Z: 31 50.696 2.232 1.132 0.748 0.967 0.733 CB 1.613 31 residues pruned to eliminate duplicates Z: 18 25.177 2.070 0.875 0.574 0.882 0.706 CB 1.660 18 residues pruned to eliminate duplicates Z: 79 58.802 2.141 0.932 0.636 0.910 0.603 CB 1.556 79 residues pruned to eliminate duplicates Z: 18 26.346 2.169 0.622 0.765 0.882 0.882 CB 1.628 18 residues pruned to eliminate duplicates Z: 6 7.458 1.630 1.069 0.440 0.800 0.400 O 1.314 Z: 7 3.671 1.647 0.251 0.516 0.833 0.667 CB 0.859 7 residues pruned to eliminate duplicates Z: 46 31.740 2.005 0.600 0.692 0.933 0.644 CB 1.325 46 residues pruned to eliminate duplicates Z: 15 14.967 1.938 0.511 0.408 1.000 0.429 CB 1.505 16 residues pruned to eliminate duplicates Z: 17 27.924 2.097 0.710 0.906 1.000 0.938 CB 1.384 17 residues pruned to eliminate duplicates Z: 15 26.897 2.103 0.970 0.913 1.000 0.786 CB 1.228 15 residues pruned to eliminate duplicates Z: 18 26.506 2.005 0.844 0.846 0.941 0.294 CB 1.373 18 residues pruned to eliminate duplicates Z: 13 12.435 1.811 0.827 0.667 0.917 0.833 N 1.014 Z: 6 2.685 1.538 0.447 0.493 0.800 0.600 CB 0.679 Z: 6 6.637 1.622 0.320 0.889 1.000 1.000 CA 0.998 6 residues pruned to eliminate duplicates Z: 7 10.185 1.794 1.182 0.663 0.833 0.667 CB 1.096 Z: 13 12.873 1.871 0.726 0.354 1.000 0.417 CB 1.347 13 residues pruned to eliminate duplicates Z: 25 27.042 2.033 0.515 0.677 0.958 0.792 CB 1.589 38 residues pruned to eliminate duplicates Z: 6 2.351 1.661 0.225 0.297 0.600 0.400 N 1.081 Z: 24 20.138 1.959 0.418 0.823 0.913 0.435 CB 1.251 24 residues pruned to eliminate duplicates Z: 71 61.742 2.212 0.860 0.693 0.929 0.571 CB 1.619 71 residues pruned to eliminate duplicates Z: 8 4.037 1.521 0.518 0.298 0.857 0.429 C 0.966 8 residues pruned to eliminate duplicates Z: 16 39.336 2.259 1.000 0.939 1.000 0.867 CB 1.562 16 residues pruned to eliminate duplicates Z: 6 4.174 1.774 0.178 0.379 0.800 0.400 C 1.271 6 residues pruned to eliminate duplicates Z: 28 39.846 2.135 0.777 0.861 1.000 0.481 CB 1.485 28 residues pruned to eliminate duplicates Z: 33 25.505 1.835 0.738 0.655 0.938 0.781 CB 1.305 33 residues pruned to eliminate duplicates Z: 10 4.171 1.569 0.021 0.478 1.000 0.667 CB 0.887 5 residues pruned to eliminate duplicates Z: 7 2.976 1.682 -0.074 0.462 1.000 0.667 CB 0.811 5 residues pruned to eliminate duplicates Z: 26 24.521 1.906 0.805 0.562 0.920 0.600 CB 1.459 53 residues pruned to eliminate duplicates Z: 8 4.441 1.714 -0.204 0.677 1.000 0.857 CB 1.045 Z: 14 25.520 1.939 0.774 0.929 1.000 0.692 CB 1.440 14 residues pruned to eliminate duplicates Z: 32 38.234 2.165 0.775 0.700 0.935 0.839 CB 1.592 32 residues pruned to eliminate duplicates Z: 12 12.972 1.983 0.630 0.495 0.909 0.545 CB 1.338 12 residues pruned to eliminate duplicates Z: 8 5.036 1.576 0.360 0.273 0.857 0.429 CA 1.341 Z: 9 6.085 1.616 0.361 0.424 1.000 0.625 CB 1.059 10 residues pruned to eliminate duplicates Z: 6 10.357 1.761 0.893 0.704 0.800 0.800 O 1.443 Z: 31 50.924 2.194 1.097 0.733 0.967 0.867 CB 1.695 31 residues pruned to eliminate duplicates Z: 13 19.127 1.881 0.520 0.922 1.000 1.000 CB 1.358 13 residues pruned to eliminate duplicates Z: 14 15.074 1.754 0.764 0.786 0.846 0.538 CB 1.242 14 residues pruned to eliminate duplicates Z: 10 4.488 1.682 0.010 0.342 0.889 0.556 CB 1.177 Z: 27 41.961 2.161 0.811 0.902 0.962 0.654 CB 1.560 27 residues pruned to eliminate duplicates Z: 45 44.218 2.051 0.924 0.676 0.909 0.727 CB 1.580 51 residues pruned to eliminate duplicates Z: 9 5.651 1.451 0.114 0.804 1.000 0.750 CB 0.948 9 residues pruned to eliminate duplicates Z: 7 2.942 1.728 -0.248 0.659 0.833 0.833 CB 0.957 Z: 68 50.338 2.179 0.699 0.692 0.925 0.627 CB 1.506 34 residues pruned to eliminate duplicates Z: 68 46.733 2.129 0.814 0.538 0.925 0.672 CB 1.539 78 residues pruned to eliminate duplicates Z: 83 78.528 2.239 0.992 0.728 0.963 0.622 CB 1.644 83 residues pruned to eliminate duplicates Z: 18 27.919 2.043 0.790 0.904 0.941 0.706 CB 1.401 18 residues pruned to eliminate duplicates Z: 31 42.459 2.216 0.690 0.761 0.967 0.867 CB 1.699 31 residues pruned to eliminate duplicates Z: 7 14.635 1.917 0.979 0.794 0.833 0.667 CA 1.461 7 residues pruned to eliminate duplicates Z: 10 9.506 1.874 0.294 0.814 1.000 0.778 CB 0.994 10 residues pruned to eliminate duplicates Z: 44 52.122 2.216 0.961 0.744 0.930 0.605 CB 1.581 44 residues pruned to eliminate duplicates Z: 9 5.686 1.649 0.349 0.313 1.000 0.875 CA 1.113 9 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 23 22.759 2.068 0.912 0.464 0.909 0.727 CB 1.400 49 residues pruned to eliminate duplicates Z: 25 30.505 1.975 0.901 0.713 0.958 0.792 CB 1.427 Z: 6 2.809 1.809 0.220 0.362 0.800 0.800 CB 0.825 6 residues pruned to eliminate duplicates Z: 25 30.606 1.974 0.956 0.678 0.917 0.750 CB 1.498 25 residues pruned to eliminate duplicates Z: 7 8.761 1.823 1.149 0.386 0.833 0.667 CA 1.236 7 residues pruned to eliminate duplicates Z: 26 35.375 2.045 0.889 0.771 1.000 0.960 CB 1.441 25 residues pruned to eliminate duplicates Z: 6 3.897 1.289 1.165 0.295 0.800 0.800 CA 0.982 6 residues pruned to eliminate duplicates Z: 26 38.571 2.075 0.987 0.819 1.000 0.920 CB 1.419 26 residues pruned to eliminate duplicates Z: 6 6.690 1.723 0.456 0.478 1.000 0.400 C 1.219 6 residues pruned to eliminate duplicates Z: 27 38.828 2.038 0.963 0.799 1.000 0.923 CB 1.465 26 residues pruned to eliminate duplicates Z: 18 24.284 1.881 0.724 0.803 1.000 0.765 CB 1.394 18 residues pruned to eliminate duplicates Z: 27 37.901 1.989 1.015 0.751 1.000 0.731 CB 1.483 27 residues pruned to eliminate duplicates Z: 15 30.348 1.908 1.021 0.951 1.000 0.857 CB 1.449 15 residues pruned to eliminate duplicates Z: 15 24.405 1.915 0.669 0.944 1.000 0.857 CB 1.413 15 residues pruned to eliminate duplicates Z: 26 33.524 2.053 0.774 0.778 1.000 0.800 CB 1.441 26 residues pruned to eliminate duplicates Z: 26 36.141 2.068 0.932 0.784 0.960 0.920 CB 1.468 26 residues pruned to eliminate duplicates Z: 28 29.869 1.977 0.832 0.704 0.963 0.815 CB 1.368 28 residues pruned to eliminate duplicates Z: 26 40.088 2.078 1.011 0.806 1.000 0.880 CB 1.469 26 residues pruned to eliminate duplicates Z: 26 36.062 2.054 0.979 0.775 0.960 0.920 CB 1.449 26 residues pruned to eliminate duplicates Z: 27 33.101 1.993 0.818 0.757 1.000 0.769 CB 1.426 27 residues pruned to eliminate duplicates Z: 25 38.442 2.105 0.960 0.808 0.958 0.875 CB 1.517 25 residues pruned to eliminate duplicates Z: 25 41.893 2.121 1.001 0.821 1.000 0.792 CB 1.525 27 residues pruned to eliminate duplicates Z: 15 25.657 1.924 0.712 0.946 1.000 1.000 CB 1.440 15 residues pruned to eliminate duplicates Z: 25 43.624 2.119 1.070 0.822 1.000 0.792 CB 1.536 25 residues pruned to eliminate duplicates Z: 6 6.498 1.719 0.994 0.420 0.800 0.800 CA 1.152 6 residues pruned to eliminate duplicates Z: 54 53.425 2.176 0.848 0.719 0.981 0.679 CB 1.526 54 residues pruned to eliminate duplicates Z: 54 51.957 2.186 0.742 0.738 0.962 0.717 CB 1.573 54 residues pruned to eliminate duplicates Z: 55 49.795 2.141 0.836 0.710 0.926 0.667 CB 1.538 55 residues pruned to eliminate duplicates Z: 53 52.515 2.183 0.838 0.715 0.942 0.654 CB 1.585 53 residues pruned to eliminate duplicates Z: 90 55.100 2.056 0.829 0.679 0.910 0.652 CB 1.448 90 residues pruned to eliminate duplicates Z: 6 9.389 1.778 0.597 0.491 1.000 0.800 CA 1.492 6 residues pruned to eliminate duplicates Z: 55 56.799 2.170 0.878 0.740 0.981 0.741 CB 1.559 55 residues pruned to eliminate duplicates Z: 56 54.243 2.117 1.020 0.700 0.945 0.636 CB 1.507 56 residues pruned to eliminate duplicates Z: 42 57.233 2.194 0.974 0.795 0.976 0.634 CB 1.634 42 residues pruned to eliminate duplicates Z: 54 50.167 2.164 0.791 0.697 0.943 0.660 CB 1.575 54 residues pruned to eliminate duplicates Z: 55 54.408 2.156 0.832 0.706 0.963 0.704 CB 1.613 55 residues pruned to eliminate duplicates Z: 85 60.174 2.169 0.768 0.642 0.940 0.583 CB 1.594 85 residues pruned to eliminate duplicates Z: 41 57.764 2.192 0.945 0.762 1.000 0.675 CA 1.697 41 residues pruned to eliminate duplicates Z: 47 45.428 2.117 0.831 0.694 0.913 0.609 CB 1.585 47 residues pruned to eliminate duplicates Z: 55 50.949 2.140 0.832 0.708 0.944 0.648 CB 1.549 55 residues pruned to eliminate duplicates Z: 40 60.475 2.216 0.980 0.826 1.000 0.718 CB 1.665 40 residues pruned to eliminate duplicates Z: 54 54.938 2.158 0.929 0.706 0.943 0.623 CB 1.594 54 residues pruned to eliminate duplicates Z: 42 57.638 2.200 1.043 0.782 0.951 0.683 CB 1.642 42 residues pruned to eliminate duplicates Z: 67 52.570 2.140 0.918 0.622 0.939 0.591 CB 1.496 67 residues pruned to eliminate duplicates Z: 53 51.439 2.183 0.842 0.663 0.942 0.577 CB 1.618 53 residues pruned to eliminate duplicates Z: 67 53.792 2.127 0.992 0.643 0.924 0.561 CB 1.479 67 residues pruned to eliminate duplicates Z: 44 45.430 2.098 0.821 0.684 0.977 0.558 CB 1.568 44 residues pruned to eliminate duplicates Z: 45 47.189 2.088 1.007 0.720 0.909 0.659 CB 1.530 45 residues pruned to eliminate duplicates Z: 44 51.310 2.150 0.999 0.768 0.930 0.698 CB 1.544 44 residues pruned to eliminate duplicates Z: 53 53.290 2.193 0.846 0.702 0.962 0.615 CB 1.580 53 residues pruned to eliminate duplicates Z: 43 53.171 2.178 0.900 0.759 0.952 0.619 CB 1.653 43 residues pruned to eliminate duplicates Z: 54 57.696 2.188 0.902 0.722 0.981 0.736 CB 1.588 54 residues pruned to eliminate duplicates Z: 54 56.082 2.159 0.956 0.721 0.943 0.623 CB 1.584 54 residues pruned to eliminate duplicates Z: 73 50.056 2.060 0.932 0.606 0.889 0.583 CB 1.509 73 residues pruned to eliminate duplicates Z: 49 58.130 2.166 1.049 0.729 0.958 0.750 CB 1.605 49 residues pruned to eliminate duplicates Z: 40 54.665 2.161 0.987 0.761 0.974 0.795 CB 1.659 40 residues pruned to eliminate duplicates Z: 57 49.388 2.110 0.902 0.677 0.929 0.750 CB 1.504 57 residues pruned to eliminate duplicates Z: 40 58.411 2.149 1.168 0.775 0.923 0.692 CA 1.706 40 residues pruned to eliminate duplicates Z: 48 46.313 2.108 0.863 0.696 0.915 0.660 CB 1.572 48 residues pruned to eliminate duplicates Z: 25 25.960 2.166 0.952 0.557 0.875 0.583 CB 1.354 Z: 13 20.097 2.114 1.081 0.599 0.833 0.667 CB 1.440 16 residues pruned to eliminate duplicates Z: 6 4.927 1.748 0.537 0.364 1.000 0.800 CA 0.949 6 residues pruned to eliminate duplicates Z: 54 50.610 2.162 0.867 0.677 0.925 0.755 CB 1.582 76 residues pruned to eliminate duplicates Z: 15 17.502 2.027 0.649 0.515 1.000 0.500 CB 1.378 Z: 6 4.691 1.475 0.731 0.409 1.000 0.600 CB 0.904 6 residues pruned to eliminate duplicates Z: 54 57.014 2.189 0.988 0.716 0.943 0.774 CB 1.568 69 residues pruned to eliminate duplicates Z: 17 12.849 1.866 0.634 0.415 0.875 0.562 CB 1.316 Z: 6 3.648 1.629 0.503 0.382 1.000 0.800 CA 0.756 6 residues pruned to eliminate duplicates Z: 55 47.296 2.180 0.835 0.556 0.963 0.593 CB 1.582 55 residues pruned to eliminate duplicates Z: 55 45.054 2.155 0.863 0.581 0.907 0.759 CB 1.556 55 residues pruned to eliminate duplicates Z: 54 50.474 2.186 0.927 0.577 0.943 0.660 CB 1.620 54 residues pruned to eliminate duplicates Z: 28 54.839 2.230 1.209 0.747 0.963 0.815 CB 1.784 28 residues pruned to eliminate duplicates Z: 105 69.392 2.117 0.929 0.609 0.962 0.702 CB 1.563 122 residues pruned to eliminate duplicates Z: 33 41.194 2.125 1.013 0.644 0.906 0.781 CB 1.642 33 residues pruned to eliminate duplicates Z: 33 40.967 2.101 1.067 0.627 0.875 0.656 CB 1.691 33 residues pruned to eliminate duplicates Z: 73 58.012 2.165 0.966 0.574 0.931 0.667 CB 1.606 73 residues pruned to eliminate duplicates Z: 44 44.017 2.199 0.755 0.626 0.977 0.721 CB 1.581 44 residues pruned to eliminate duplicates Z: 28 48.491 2.251 1.033 0.712 0.963 0.778 CB 1.747 28 residues pruned to eliminate duplicates Z: 116 57.150 2.104 0.783 0.561 0.922 0.617 CB 1.453 116 residues pruned to eliminate duplicates Z: 54 45.283 2.190 0.830 0.541 0.925 0.679 CB 1.613 54 residues pruned to eliminate duplicates Z: 53 50.338 2.209 0.905 0.590 0.962 0.731 CB 1.582 53 residues pruned to eliminate duplicates Z: 55 47.979 2.163 0.975 0.559 0.907 0.667 CB 1.591 55 residues pruned to eliminate duplicates Z: 53 49.587 2.214 0.871 0.581 0.962 0.712 CB 1.597 53 residues pruned to eliminate duplicates Z: 61 44.630 2.116 0.916 0.544 0.917 0.717 CB 1.485 61 residues pruned to eliminate duplicates Z: 46 44.290 2.176 0.863 0.574 0.933 0.756 CB 1.625 46 residues pruned to eliminate duplicates Z: 62 49.285 2.089 0.985 0.573 0.918 0.770 CB 1.544 62 residues pruned to eliminate duplicates Z: 53 52.908 2.205 1.030 0.575 0.942 0.635 CB 1.617 53 residues pruned to eliminate duplicates Z: 29 50.167 2.222 1.144 0.712 0.929 0.786 CB 1.768 29 residues pruned to eliminate duplicates Z: 27 59.068 2.267 1.267 0.779 1.000 0.885 CB 1.763 27 residues pruned to eliminate duplicates Z: 57 50.115 2.132 0.985 0.569 0.946 0.589 CB 1.563 57 residues pruned to eliminate duplicates Z: 47 46.444 2.157 0.995 0.593 0.935 0.630 CB 1.557 47 residues pruned to eliminate duplicates Z: 63 55.814 2.148 1.013 0.603 0.952 0.613 CB 1.562 63 residues pruned to eliminate duplicates Z: 28 20.903 2.094 0.612 0.440 0.889 0.519 CB 1.426 28 residues pruned to eliminate duplicates Z: 56 50.426 2.159 0.978 0.599 0.927 0.673 CB 1.562 56 residues pruned to eliminate duplicates Z: 28 22.498 2.026 0.790 0.443 0.926 0.593 CB 1.367 28 residues pruned to eliminate duplicates Z: 26 22.448 2.132 0.650 0.456 0.920 0.640 CB 1.452 26 residues pruned to eliminate duplicates Z: 17 15.559 2.023 0.504 0.514 0.938 0.500 CB 1.344 17 residues pruned to eliminate duplicates Z: 33 21.718 1.931 0.795 0.398 0.906 0.594 CB 1.360 33 residues pruned to eliminate duplicates Z: 29 22.057 2.072 0.646 0.466 0.893 0.679 CB 1.417 29 residues pruned to eliminate duplicates Z: 26 23.100 2.135 0.627 0.429 0.960 0.600 CB 1.492 26 residues pruned to eliminate duplicates Z: 76 67.265 2.184 0.988 0.698 0.947 0.760 CB 1.577 53 residues pruned to eliminate duplicates Z: 11 17.940 2.139 0.489 0.748 1.000 0.700 CA 1.427 11 residues pruned to eliminate duplicates Z: 53 52.350 2.198 0.947 0.620 0.942 0.654 CB 1.608 53 residues pruned to eliminate duplicates Z: 46 51.272 2.164 1.055 0.638 0.956 0.711 CB 1.580 46 residues pruned to eliminate duplicates Z: 27 27.773 2.094 0.879 0.519 0.962 0.538 CB 1.412 27 residues pruned to eliminate duplicates Z: 92 67.165 2.155 0.960 0.628 0.967 0.725 CB 1.528 92 residues pruned to eliminate duplicates Z: 27 25.487 2.114 0.892 0.466 0.923 0.615 CB 1.402 27 residues pruned to eliminate duplicates Z: 15 17.572 2.111 0.895 0.397 0.857 0.500 CA 1.527 15 residues pruned to eliminate duplicates Z: 30 25.743 2.070 0.718 0.550 0.966 0.655 CB 1.326 30 residues pruned to eliminate duplicates Z: 27 26.694 2.122 0.822 0.507 0.923 0.654 CB 1.456 27 residues pruned to eliminate duplicates Z: 30 26.716 2.060 0.852 0.505 0.931 0.552 CB 1.390 30 residues pruned to eliminate duplicates Z: 17 18.707 1.975 0.980 0.439 0.875 0.562 CA 1.455 17 residues pruned to eliminate duplicates Z: 54 58.566 2.180 1.142 0.648 0.981 0.660 CB 1.530 54 residues pruned to eliminate duplicates Z: 27 24.008 2.116 0.749 0.502 0.962 0.654 CB 1.321 27 residues pruned to eliminate duplicates Z: 53 52.070 2.171 1.067 0.615 0.962 0.615 CB 1.500 53 residues pruned to eliminate duplicates Z: 94 68.662 2.162 0.990 0.639 0.946 0.699 CB 1.535 94 residues pruned to eliminate duplicates Z: 65 49.282 2.132 0.901 0.597 0.953 0.672 CB 1.453 65 residues pruned to eliminate duplicates Z: 6 6.346 1.772 0.963 0.381 0.600 0.400 N 1.543 Z: 6 8.923 1.873 0.781 0.390 1.000 0.600 CA 1.344 4 residues pruned to eliminate duplicates Z: 6 3.097 1.864 0.444 0.440 1.000 0.800 CB 0.547 Z: 7 16.388 1.901 1.031 0.560 1.000 0.667 N 1.635 7 residues pruned to eliminate duplicates Z: 43 38.901 2.108 0.857 0.602 0.952 0.714 CB 1.462 43 residues pruned to eliminate duplicates Z: 16 22.360 2.171 0.974 0.508 1.000 0.667 CB 1.336 16 residues pruned to eliminate duplicates Z: 78 66.068 2.228 1.006 0.679 0.922 0.584 CB 1.549 78 residues pruned to eliminate duplicates Z: 49 32.451 2.069 0.872 0.506 0.896 0.417 CB 1.341 49 residues pruned to eliminate duplicates Z: 50 41.562 2.087 0.865 0.626 0.939 0.735 CB 1.442 63 residues pruned to eliminate duplicates Z: 6 5.194 1.670 1.276 0.401 0.600 0.400 CB 1.131 Z: 11 8.479 1.467 0.860 0.503 0.800 0.400 O 1.224 11 residues pruned to eliminate duplicates Z: 27 41.702 2.085 0.988 0.748 1.000 0.885 CB 1.581 27 residues pruned to eliminate duplicates Z: 52 42.268 2.137 0.814 0.628 0.941 0.588 CB 1.438 52 residues pruned to eliminate duplicates Z: 52 46.140 2.162 0.931 0.640 0.922 0.627 CB 1.473 52 residues pruned to eliminate duplicates Z: 27 45.791 2.088 1.168 0.776 1.000 0.923 CB 1.555 33 residues pruned to eliminate duplicates Z: 11 20.205 2.011 0.720 0.895 1.000 0.900 CB 1.324 11 residues pruned to eliminate duplicates Z: 26 40.429 2.133 0.998 0.761 1.000 0.840 CB 1.505 26 residues pruned to eliminate duplicates Z: 80 50.438 2.138 0.848 0.602 0.924 0.684 CB 1.411 80 residues pruned to eliminate duplicates Z: 67 61.769 2.137 0.923 0.742 0.970 0.788 CB 1.537 67 residues pruned to eliminate duplicates Z: 81 67.125 2.205 1.076 0.673 0.925 0.713 CB 1.511 81 residues pruned to eliminate duplicates Z: 28 38.904 2.070 1.081 0.737 0.963 0.778 CB 1.459 28 residues pruned to eliminate duplicates Z: 28 41.689 2.106 1.082 0.722 0.963 0.667 CB 1.556 29 residues pruned to eliminate duplicates Z: 15 30.735 1.994 0.999 0.922 1.000 0.714 CB 1.449 15 residues pruned to eliminate duplicates Z: 11 10.707 1.590 0.748 0.610 0.900 0.700 CA 1.219 11 residues pruned to eliminate duplicates Z: 42 43.353 2.166 1.016 0.636 0.927 0.707 CB 1.472 42 residues pruned to eliminate duplicates Z: 49 37.632 2.100 0.837 0.572 0.896 0.625 CB 1.466 49 residues pruned to eliminate duplicates Z: 30 42.203 2.040 1.117 0.700 1.000 0.690 CB 1.512 30 residues pruned to eliminate duplicates Z: 35 29.126 1.965 1.021 0.596 0.853 0.441 CB 1.346 35 residues pruned to eliminate duplicates Z: 32 44.083 2.248 0.819 0.698 0.968 0.839 CB 1.670 32 residues pruned to eliminate duplicates Z: 33 42.089 2.241 0.830 0.714 0.938 0.750 CB 1.594 33 residues pruned to eliminate duplicates Z: 36 42.698 2.193 0.844 0.699 0.914 0.686 CB 1.628 36 residues pruned to eliminate duplicates Z: 54 52.151 2.265 0.786 0.718 0.962 0.642 CB 1.511 54 residues pruned to eliminate duplicates Z: 76 59.167 2.182 0.835 0.641 0.947 0.760 CB 1.579 76 residues pruned to eliminate duplicates Z: 43 47.259 2.238 0.830 0.743 0.929 0.690 CB 1.543 43 residues pruned to eliminate duplicates Z: 41 52.339 2.250 0.912 0.792 0.950 0.725 CB 1.568 41 residues pruned to eliminate duplicates Z: 32 43.418 2.264 0.792 0.773 0.968 0.871 CB 1.560 32 residues pruned to eliminate duplicates Z: 40 53.246 2.290 0.936 0.800 0.949 0.744 CB 1.560 40 residues pruned to eliminate duplicates Z: 41 48.000 2.273 0.795 0.738 0.925 0.650 CB 1.625 41 residues pruned to eliminate duplicates Z: 56 51.031 2.226 0.779 0.697 0.964 0.582 CB 1.506 56 residues pruned to eliminate duplicates Z: 31 48.586 2.239 1.099 0.716 0.967 0.767 CB 1.606 31 residues pruned to eliminate duplicates Z: 32 48.442 2.253 0.988 0.728 0.968 0.710 CB 1.634 32 residues pruned to eliminate duplicates Z: 19 27.224 2.242 0.484 0.811 1.000 0.778 CB 1.471 19 residues pruned to eliminate duplicates Z: 39 46.402 2.226 0.907 0.687 0.947 0.684 CB 1.577 39 residues pruned to eliminate duplicates Z: 32 47.148 2.267 1.177 0.734 0.935 0.742 CB 1.486 32 residues pruned to eliminate duplicates Z: 32 50.459 2.267 1.064 0.743 0.968 0.742 CB 1.610 32 residues pruned to eliminate duplicates Z: 31 50.250 2.293 1.020 0.770 0.967 0.767 CB 1.614 31 residues pruned to eliminate duplicates Z: 34 45.794 2.193 1.011 0.697 0.939 0.636 CB 1.608 34 residues pruned to eliminate duplicates Z: 18 32.212 2.225 0.786 0.903 0.941 0.647 CB 1.489 18 residues pruned to eliminate duplicates Z: 32 48.442 2.282 1.041 0.706 0.968 0.742 CB 1.601 32 residues pruned to eliminate duplicates Z: 40 49.790 2.219 0.948 0.687 0.974 0.641 CB 1.595 40 residues pruned to eliminate duplicates Z: 97 64.120 2.160 0.882 0.638 0.938 0.698 CB 1.509 104 residues pruned to eliminate duplicates Z: 17 35.020 2.276 0.918 0.913 0.938 0.375 CB 1.514 17 residues pruned to eliminate duplicates Z: 79 64.205 2.223 0.897 0.673 0.962 0.654 CB 1.529 79 residues pruned to eliminate duplicates Z: 31 51.671 2.297 1.082 0.749 0.967 0.667 CB 1.634 31 residues pruned to eliminate duplicates Z: 32 50.801 2.265 1.114 0.773 0.968 0.677 CB 1.547 32 residues pruned to eliminate duplicates Z: 60 51.338 2.205 0.907 0.620 0.932 0.610 CB 1.522 60 residues pruned to eliminate duplicates Z: 48 52.389 2.239 0.985 0.655 0.957 0.660 CB 1.555 48 residues pruned to eliminate duplicates Z: 40 56.521 2.280 0.985 0.730 0.974 0.667 CB 1.668 40 residues pruned to eliminate duplicates Z: 80 63.717 2.197 0.924 0.666 0.937 0.570 CB 1.553 80 residues pruned to eliminate duplicates Z: 39 52.310 2.272 0.945 0.713 0.974 0.632 CB 1.626 39 residues pruned to eliminate duplicates Z: 44 44.244 2.175 0.888 0.670 0.930 0.558 CB 1.509 44 residues pruned to eliminate duplicates Z: 55 51.895 2.224 0.881 0.653 0.944 0.667 CB 1.550 55 residues pruned to eliminate duplicates Z: 13 12.306 2.085 0.632 0.555 0.750 0.333 CB 1.320 13 residues pruned to eliminate duplicates Z: 24 27.782 2.211 0.717 0.623 0.913 0.609 CB 1.488 24 residues pruned to eliminate duplicates Z: 54 40.821 2.082 0.789 0.614 0.906 0.660 CB 1.491 54 residues pruned to eliminate duplicates Z: 12 17.756 2.148 0.576 0.670 0.909 0.636 CB 1.487 12 residues pruned to eliminate duplicates Z: 14 20.181 1.890 0.704 0.817 0.923 0.615 CB 1.430 14 residues pruned to eliminate duplicates Z: 42 50.530 2.266 0.824 0.743 0.951 0.659 CB 1.615 42 residues pruned to eliminate duplicates Z: 84 69.363 2.209 0.957 0.694 0.916 0.627 CB 1.611 84 residues pruned to eliminate duplicates Z: 42 45.890 2.228 0.752 0.748 0.902 0.659 CB 1.630 42 residues pruned to eliminate duplicates Z: 102 73.970 2.186 0.911 0.669 0.950 0.653 CB 1.586 102 residues pruned to eliminate duplicates Z: 84 69.214 2.212 0.915 0.667 0.928 0.639 CB 1.657 84 residues pruned to eliminate duplicates Z: 54 49.754 2.220 0.730 0.702 0.925 0.604 CB 1.601 54 residues pruned to eliminate duplicates Z: 87 70.576 2.218 0.943 0.675 0.919 0.674 CB 1.636 87 residues pruned to eliminate duplicates Z: 42 49.919 2.213 0.817 0.754 0.951 0.610 CB 1.625 42 residues pruned to eliminate duplicates Z: 31 46.426 2.253 0.896 0.781 0.967 0.867 CB 1.603 31 residues pruned to eliminate duplicates Z: 100 70.861 2.198 0.909 0.667 0.919 0.677 CB 1.582 100 residues pruned to eliminate duplicates Z: 54 54.142 2.198 0.903 0.711 0.925 0.660 CB 1.588 54 residues pruned to eliminate duplicates Z: 31 50.026 2.251 0.982 0.776 1.000 0.767 CB 1.604 31 residues pruned to eliminate duplicates Z: 41 55.211 2.231 0.898 0.782 0.975 0.650 CB 1.650 41 residues pruned to eliminate duplicates Z: 31 42.121 2.202 0.910 0.752 0.933 0.800 CB 1.564 31 residues pruned to eliminate duplicates Z: 100 73.438 2.201 0.875 0.671 0.949 0.636 CB 1.609 100 residues pruned to eliminate duplicates Z: 32 46.327 2.222 0.919 0.778 0.968 0.742 CB 1.578 32 residues pruned to eliminate duplicates Z: 56 65.580 2.210 1.036 0.761 0.945 0.691 CB 1.649 56 residues pruned to eliminate duplicates Z: 54 54.504 2.213 0.841 0.711 0.925 0.566 CB 1.642 54 residues pruned to eliminate duplicates Z: 86 70.103 2.195 1.004 0.660 0.918 0.671 CB 1.624 86 residues pruned to eliminate duplicates Z: 31 47.730 2.257 0.963 0.765 0.967 0.800 CB 1.609 31 residues pruned to eliminate duplicates Z: 35 49.677 2.199 0.933 0.768 0.971 0.794 CB 1.628 35 residues pruned to eliminate duplicates Z: 66 57.258 2.120 0.943 0.660 0.938 0.585 CB 1.584 66 residues pruned to eliminate duplicates Z: 43 47.934 2.197 0.828 0.735 0.929 0.595 CB 1.606 43 residues pruned to eliminate duplicates Z: 55 52.857 2.181 0.881 0.697 0.907 0.704 CB 1.615 55 residues pruned to eliminate duplicates Z: 81 74.323 2.253 0.965 0.703 0.950 0.663 CB 1.642 81 residues pruned to eliminate duplicates Z: 41 36.541 2.109 0.792 0.622 0.875 0.475 CB 1.557 41 residues pruned to eliminate duplicates Z: 83 71.103 2.247 0.899 0.711 0.927 0.671 CB 1.639 83 residues pruned to eliminate duplicates Z: 55 55.628 2.197 0.924 0.703 0.926 0.685 CB 1.608 55 residues pruned to eliminate duplicates Z: 42 57.653 2.229 1.002 0.758 0.976 0.732 CB 1.645 42 residues pruned to eliminate duplicates Z: 41 54.821 2.231 0.901 0.769 1.000 0.675 CB 1.610 41 residues pruned to eliminate duplicates Z: 101 70.970 2.187 0.868 0.647 0.940 0.710 CB 1.611 101 residues pruned to eliminate duplicates Z: 58 48.954 2.175 0.739 0.641 0.947 0.561 CB 1.585 58 residues pruned to eliminate duplicates Z: 52 56.777 2.248 0.820 0.722 0.961 0.647 CB 1.656 52 residues pruned to eliminate duplicates Z: 96 70.403 2.169 0.949 0.647 0.947 0.621 CB 1.572 96 residues pruned to eliminate duplicates Z: 44 49.578 2.207 0.817 0.734 0.930 0.698 CB 1.642 44 residues pruned to eliminate duplicates Z: 83 75.402 2.230 0.937 0.672 0.976 0.683 CB 1.686 83 residues pruned to eliminate duplicates Z: 46 51.803 2.242 0.808 0.715 0.933 0.600 CB 1.679 46 residues pruned to eliminate duplicates Z: 43 52.962 2.246 0.854 0.732 0.952 0.690 CB 1.672 43 residues pruned to eliminate duplicates Z: 47 51.912 2.209 0.904 0.722 0.935 0.696 CB 1.593 47 residues pruned to eliminate duplicates Z: 55 61.546 2.225 0.962 0.703 0.963 0.667 CB 1.656 55 residues pruned to eliminate duplicates Z: 83 70.538 2.216 0.897 0.675 0.951 0.732 CB 1.658 83 residues pruned to eliminate duplicates Z: 83 78.103 2.243 0.971 0.690 0.976 0.732 CB 1.680 83 residues pruned to eliminate duplicates Z: 99 59.395 2.139 0.794 0.609 0.929 0.653 CB 1.518 99 residues pruned to eliminate duplicates Z: 92 69.450 2.201 0.922 0.676 0.923 0.725 CB 1.584 92 residues pruned to eliminate duplicates Z: 44 53.287 2.216 1.127 0.600 0.953 0.674 CB 1.645 44 residues pruned to eliminate duplicates Z: 69 52.953 2.173 0.834 0.565 0.971 0.647 CB 1.559 69 residues pruned to eliminate duplicates Z: 101 65.821 2.141 0.903 0.622 0.940 0.710 CB 1.531 101 residues pruned to eliminate duplicates Z: 101 75.492 2.193 0.932 0.672 0.950 0.710 CB 1.600 101 residues pruned to eliminate duplicates Z: 84 71.296 2.209 0.950 0.682 0.928 0.675 CB 1.656 84 residues pruned to eliminate duplicates Z: 107 67.155 2.133 0.882 0.595 0.915 0.642 CB 1.622 107 residues pruned to eliminate duplicates Z: 84 73.191 2.215 0.992 0.684 0.940 0.663 CB 1.638 84 residues pruned to eliminate duplicates Z: 82 69.581 2.238 0.966 0.691 0.901 0.642 CB 1.637 82 residues pruned to eliminate duplicates Z: 53 40.303 2.078 0.808 0.568 0.942 0.654 CB 1.479 53 residues pruned to eliminate duplicates Z: 108 78.588 2.219 0.937 0.652 0.963 0.654 CB 1.594 108 residues pruned to eliminate duplicates Z: 31 48.006 2.202 1.134 0.648 0.967 0.600 CB 1.681 31 residues pruned to eliminate duplicates Z: 63 45.734 2.097 0.894 0.545 0.935 0.613 CB 1.497 63 residues pruned to eliminate duplicates Z: 109 64.171 2.137 0.783 0.627 0.917 0.602 CB 1.569 109 residues pruned to eliminate duplicates Z: 83 75.280 2.235 1.029 0.693 0.951 0.683 CB 1.616 83 residues pruned to eliminate duplicates Z: 28 49.255 2.274 1.020 0.723 0.963 0.815 CB 1.752 28 residues pruned to eliminate duplicates Z: 31 37.435 2.238 0.682 0.648 0.967 0.733 CB 1.635 31 residues pruned to eliminate duplicates Z: 28 55.998 2.274 1.240 0.740 0.963 0.704 CB 1.772 28 residues pruned to eliminate duplicates Z: 43 53.854 2.209 1.061 0.652 0.976 0.738 CB 1.623 43 residues pruned to eliminate duplicates Z: 29 50.914 2.232 1.106 0.716 0.964 0.857 CB 1.746 29 residues pruned to eliminate duplicates Z: 49 44.694 2.126 0.932 0.623 0.938 0.667 CB 1.491 49 residues pruned to eliminate duplicates Z: 83 73.833 2.236 0.978 0.689 0.963 0.720 CB 1.609 83 residues pruned to eliminate duplicates Z: 29 53.571 2.261 1.069 0.725 1.000 0.750 CA 1.766 29 residues pruned to eliminate duplicates Z: 27 56.124 2.315 1.112 0.753 1.000 0.808 CA 1.796 27 residues pruned to eliminate duplicates Z: 96 76.480 2.200 0.967 0.683 0.958 0.716 CB 1.600 96 residues pruned to eliminate duplicates Z: 29 47.868 2.255 1.005 0.722 0.964 0.857 CA 1.698 29 residues pruned to eliminate duplicates Z: 32 49.004 2.181 1.180 0.672 0.968 0.806 CB 1.633 32 residues pruned to eliminate duplicates Z: 103 71.481 2.160 0.896 0.647 0.980 0.657 CB 1.537 103 residues pruned to eliminate duplicates Z: 29 54.613 2.244 1.118 0.746 1.000 0.750 CB 1.743 29 residues pruned to eliminate duplicates Z: 110 74.003 2.189 0.913 0.642 0.945 0.688 CB 1.569 110 residues pruned to eliminate duplicates Z: 46 43.933 2.112 0.940 0.604 0.956 0.756 CB 1.516 46 residues pruned to eliminate duplicates Z: 28 50.282 2.277 1.076 0.721 0.963 0.852 CA 1.741 28 residues pruned to eliminate duplicates Z: 63 54.713 2.166 0.910 0.613 0.952 0.742 CB 1.586 63 residues pruned to eliminate duplicates Z: 47 49.736 2.171 0.910 0.669 0.978 0.717 CB 1.546 47 residues pruned to eliminate duplicates Z: 27 54.902 2.314 1.100 0.758 1.000 0.885 CB 1.761 27 residues pruned to eliminate duplicates Z: 101 71.197 2.152 0.935 0.659 0.950 0.690 CB 1.553 101 residues pruned to eliminate duplicates Z: 48 47.404 2.133 0.889 0.634 0.957 0.723 CB 1.581 48 residues pruned to eliminate duplicates Z: 54 56.080 2.182 0.968 0.612 0.981 0.774 CB 1.644 54 residues pruned to eliminate duplicates Z: 47 45.032 2.147 0.835 0.637 0.957 0.652 CB 1.549 47 residues pruned to eliminate duplicates Z: 59 48.203 2.138 0.881 0.599 0.897 0.741 CB 1.597 59 residues pruned to eliminate duplicates Z: 48 50.127 2.147 0.951 0.636 0.979 0.745 CB 1.569 48 residues pruned to eliminate duplicates Z: 30 23.317 1.998 0.760 0.458 0.897 0.690 CB 1.433 30 residues pruned to eliminate duplicates Z: 35 17.369 1.871 0.506 0.419 0.882 0.618 CB 1.304 35 residues pruned to eliminate duplicates Z: 40 28.605 2.018 0.714 0.489 0.923 0.667 CB 1.450 40 residues pruned to eliminate duplicates Z: 47 40.413 2.070 0.941 0.662 0.913 0.543 CB 1.398 47 residues pruned to eliminate duplicates Z: 26 15.668 1.799 0.635 0.416 0.880 0.640 CB 1.322 26 residues pruned to eliminate duplicates Z: 30 27.558 1.997 0.839 0.510 0.931 0.655 CA 1.481 30 residues pruned to eliminate duplicates Z: 31 23.909 1.911 0.692 0.534 0.933 0.600 CB 1.399 31 residues pruned to eliminate duplicates Z: 29 26.267 2.016 0.739 0.510 0.929 0.607 CA 1.509 29 residues pruned to eliminate duplicates Z: 36 23.218 1.908 0.747 0.465 0.943 0.571 CA 1.294 36 residues pruned to eliminate duplicates Z: 69 55.236 2.166 0.944 0.590 0.941 0.574 CB 1.551 69 residues pruned to eliminate duplicates Z: 54 56.355 2.178 0.953 0.648 0.981 0.755 CB 1.616 54 residues pruned to eliminate duplicates Z: 32 31.351 1.979 0.898 0.600 0.935 0.613 CB 1.457 32 residues pruned to eliminate duplicates Z: 58 50.467 2.134 1.002 0.601 0.930 0.544 CB 1.528 58 residues pruned to eliminate duplicates Z: 13 15.549 2.080 0.912 0.431 0.833 0.500 CA 1.455 13 residues pruned to eliminate duplicates Z: 16 16.262 1.983 0.941 0.397 0.867 0.600 CB 1.403 16 residues pruned to eliminate duplicates Z: 14 13.106 1.975 0.937 0.393 0.846 0.538 CA 1.258 14 residues pruned to eliminate duplicates Z: 28 29.632 2.005 0.811 0.534 1.000 0.667 CB 1.518 28 residues pruned to eliminate duplicates Z: 24 12.278 1.744 0.909 0.326 0.826 0.522 CB 1.127 38 residues pruned to eliminate duplicates Z: 29 26.651 2.018 0.771 0.516 0.893 0.679 CA 1.553 29 residues pruned to eliminate duplicates Z: 12 25.208 2.202 1.165 0.502 0.909 0.727 CA 1.749 12 residues pruned to eliminate duplicates Z: 38 34.945 2.012 0.952 0.534 0.919 0.649 CB 1.540 38 residues pruned to eliminate duplicates Z: 29 17.366 1.860 0.806 0.388 0.786 0.500 CB 1.400 29 residues pruned to eliminate duplicates Z: 42 31.492 1.964 0.813 0.527 0.927 0.659 CB 1.451 42 residues pruned to eliminate duplicates Z: 18 24.245 2.075 1.009 0.522 0.882 0.647 CB 1.565 18 residues pruned to eliminate duplicates Z: 63 64.312 2.165 1.097 0.663 0.968 0.758 CB 1.598 63 residues pruned to eliminate duplicates Z: 14 17.873 2.014 0.919 0.535 1.000 0.538 CB 1.239 14 residues pruned to eliminate duplicates Z: 11 20.987 2.148 0.751 0.629 1.000 0.700 CB 1.564 11 residues pruned to eliminate duplicates Z: 13 19.259 2.047 0.905 0.510 0.917 0.750 CB 1.541 13 residues pruned to eliminate duplicates Z: 52 38.634 2.038 0.775 0.710 0.961 0.686 CB 1.286 52 residues pruned to eliminate duplicates Z: 6 7.110 1.552 0.886 0.432 1.000 0.400 CB 1.166 6 residues pruned to eliminate duplicates Z: 16 11.040 1.755 0.652 0.440 0.867 0.600 CB 1.207 16 residues pruned to eliminate duplicates Z: 6 3.826 1.465 0.446 0.423 0.800 0.400 C 1.094 6 residues pruned to eliminate duplicates Z: 12 10.542 1.726 0.748 0.607 0.909 0.636 CB 1.047 14 residues pruned to eliminate duplicates Z: 8 5.590 1.496 0.096 0.802 1.000 0.857 CB 0.990 8 residues pruned to eliminate duplicates Z: 19 14.078 1.879 0.468 0.471 0.944 0.611 CB 1.311 19 residues pruned to eliminate duplicates Z: 7 4.475 1.468 0.132 0.632 1.000 0.667 N 0.971 7 residues pruned to eliminate duplicates Z: 13 5.476 1.615 0.072 0.536 0.750 0.500 CB 1.175 13 residues pruned to eliminate duplicates Z: 18 10.506 1.805 0.511 0.377 0.824 0.471 CB 1.293 18 residues pruned to eliminate duplicates Z: 8 3.715 1.572 0.241 0.272 0.857 0.571 CB 1.088 8 residues pruned to eliminate duplicates Z: 9 5.241 1.586 0.320 0.503 0.875 0.500 CB 1.008 9 residues pruned to eliminate duplicates Z: 17 11.263 1.852 0.266 0.435 1.000 0.438 CB 1.285 17 residues pruned to eliminate duplicates Z: 21 14.997 1.848 0.644 0.524 0.850 0.650 CB 1.267 21 residues pruned to eliminate duplicates Z: 67 52.574 2.101 0.899 0.603 0.924 0.621 CB 1.591 67 residues pruned to eliminate duplicates Z: 13 17.437 1.967 0.806 0.456 1.000 0.667 CB 1.482 13 residues pruned to eliminate duplicates Z: 14 15.272 1.923 0.819 0.445 0.923 0.615 CB 1.388 14 residues pruned to eliminate duplicates Z: 18 16.802 1.816 0.714 0.531 1.000 0.588 CB 1.270 17 residues pruned to eliminate duplicates Z: 6 5.679 1.755 -0.130 0.646 1.000 1.000 N 1.451 6 residues pruned to eliminate duplicates Z: 62 41.502 2.081 0.738 0.579 0.902 0.689 CB 1.510 62 residues pruned to eliminate duplicates Z: 9 8.168 1.729 0.792 0.414 1.000 0.625 CB 1.019 9 residues pruned to eliminate duplicates Z: 14 25.850 2.213 0.991 0.687 1.000 0.769 CB 1.372 14 residues pruned to eliminate duplicates Z: 21 23.412 2.045 0.827 0.640 0.900 0.800 CB 1.365 21 residues pruned to eliminate duplicates Z: 52 34.177 2.037 0.591 0.687 0.961 0.569 CB 1.295 52 residues pruned to eliminate duplicates Z: 14 23.694 2.109 0.956 0.678 0.923 0.769 CB 1.465 14 residues pruned to eliminate duplicates Z: 14 27.763 2.111 1.125 0.706 1.000 0.692 CB 1.424 14 residues pruned to eliminate duplicates Z: 14 25.620 2.171 1.150 0.646 0.923 0.769 CB 1.439 14 residues pruned to eliminate duplicates Z: 40 28.911 2.022 0.545 0.702 0.949 0.744 CB 1.300 40 residues pruned to eliminate duplicates Z: 12 34.028 2.302 1.257 0.775 1.000 0.818 CB 1.549 13 residues pruned to eliminate duplicates Z: 6 8.333 1.707 0.745 0.467 1.000 0.800 CA 1.294 6 residues pruned to eliminate duplicates Z: 22 18.221 1.879 0.836 0.616 0.810 0.524 CB 1.275 22 residues pruned to eliminate duplicates Z: 13 24.734 2.225 0.881 0.731 0.917 0.750 CB 1.511 13 residues pruned to eliminate duplicates Z: 15 24.062 2.145 0.955 0.662 0.929 0.714 CB 1.421 15 residues pruned to eliminate duplicates Z: 38 36.133 2.073 0.694 0.796 0.946 0.703 CB 1.380 38 residues pruned to eliminate duplicates Z: 38 33.858 2.066 0.591 0.819 0.973 0.703 CB 1.319 38 residues pruned to eliminate duplicates Z: 52 34.620 2.028 0.638 0.714 0.902 0.647 CB 1.333 52 residues pruned to eliminate duplicates Z: 39 34.214 2.070 0.647 0.803 0.947 0.711 CB 1.319 39 residues pruned to eliminate duplicates Z: 39 32.642 2.028 0.621 0.786 0.921 0.737 CB 1.360 39 residues pruned to eliminate duplicates Z: 40 35.209 1.993 0.707 0.768 1.000 0.744 CB 1.307 40 residues pruned to eliminate duplicates Z: 40 32.092 2.025 0.676 0.779 0.923 0.615 CB 1.283 40 residues pruned to eliminate duplicates Z: 34 29.000 2.029 0.615 0.732 0.939 0.788 CB 1.332 34 residues pruned to eliminate duplicates Z: 39 32.737 2.063 0.666 0.791 0.921 0.684 CB 1.300 39 residues pruned to eliminate duplicates Z: 50 36.406 2.002 0.827 0.630 0.959 0.571 CB 1.311 50 residues pruned to eliminate duplicates Z: 38 34.251 2.072 0.706 0.811 0.919 0.676 CB 1.323 38 residues pruned to eliminate duplicates Z: 47 32.688 2.014 0.658 0.681 0.935 0.630 CB 1.308 47 residues pruned to eliminate duplicates Z: 39 37.381 2.036 0.785 0.807 0.947 0.684 CB 1.347 39 residues pruned to eliminate duplicates Z: 38 33.930 2.077 0.644 0.752 0.973 0.811 CB 1.341 37 residues pruned to eliminate duplicates Z: 26 24.989 1.993 0.552 0.899 0.960 0.600 CB 1.204 26 residues pruned to eliminate duplicates Z: 38 34.996 2.074 0.712 0.803 0.919 0.703 CB 1.354 38 residues pruned to eliminate duplicates Z: 38 37.807 2.083 0.693 0.816 1.000 0.730 CB 1.339 38 residues pruned to eliminate duplicates Z: 26 25.007 1.986 0.560 0.884 0.960 0.720 CB 1.215 26 residues pruned to eliminate duplicates Z: 38 39.735 2.078 0.748 0.804 1.000 0.676 CB 1.379 38 residues pruned to eliminate duplicates Z: 38 38.808 2.073 0.744 0.809 0.973 0.649 CB 1.385 38 residues pruned to eliminate duplicates Z: 39 37.488 2.081 0.711 0.814 1.000 0.737 CB 1.301 39 residues pruned to eliminate duplicates Z: 52 36.601 2.036 0.706 0.702 0.941 0.647 CB 1.303 52 residues pruned to eliminate duplicates Z: 38 33.187 2.073 0.565 0.790 0.946 0.649 CB 1.378 38 residues pruned to eliminate duplicates Z: 38 38.268 2.070 0.711 0.801 1.000 0.757 CB 1.366 38 residues pruned to eliminate duplicates Z: 51 38.881 2.069 0.729 0.716 0.960 0.620 CB 1.317 51 residues pruned to eliminate duplicates 367 residues left after pruning, divided into chains as follows: A: 20 B: 63 C: 14 D: 14 E: 22 F: 41 G: 169 H: 24 CC for partial structure against native data = 34.92 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.436, Connect. = 0.736 for dens.mod. cycle 1 = 0.300, Contrast = 0.497, Connect. = 0.755 for dens.mod. cycle 2 = 0.300, Contrast = 0.581, Connect. = 0.781 for dens.mod. cycle 3 = 0.300, Contrast = 0.586, Connect. = 0.783 for dens.mod. cycle 4 = 0.300, Contrast = 0.595, Connect. = 0.785 for dens.mod. cycle 5 = 0.300, Contrast = 0.599, Connect. = 0.786 for dens.mod. cycle 6 = 0.300, Contrast = 0.604, Connect. = 0.788 for dens.mod. cycle 7 = 0.300, Contrast = 0.607, Connect. = 0.789 for dens.mod. cycle 8 = 0.300, Contrast = 0.609, Connect. = 0.790 for dens.mod. cycle 9 = 0.300, Contrast = 0.611, Connect. = 0.790 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2383 peaks > 0.5 sigma used to seed fragment search Space for about 538 unique residues taking solvent into account 578 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 53 35.404 2.018 0.655 0.685 0.942 0.731 CB 1.317 B: 59 44.526 2.218 0.649 0.665 0.931 0.621 CB 1.473 C: 41 61.722 2.221 1.065 0.797 0.975 0.725 CB 1.683 D: 52 42.764 2.138 0.779 0.577 0.961 0.686 CB 1.522 E: 45 47.662 2.171 1.015 0.606 0.932 0.682 CB 1.594 F: 84 55.992 2.186 0.740 0.700 0.928 0.711 CB 1.452 59 residues pruned to eliminate duplicates G: 26 47.625 2.213 0.870 0.912 1.000 0.880 CB 1.630 27 residues pruned to eliminate duplicates H: 18 35.617 2.167 0.845 0.881 0.941 0.765 CB 1.662 18 residues pruned to eliminate duplicates I: 115 60.033 2.147 0.772 0.567 0.904 0.649 CB 1.533 129 residues pruned to eliminate duplicates J: 42 39.137 2.169 0.825 0.616 0.976 0.659 CB 1.418 42 residues pruned to eliminate duplicates K: 47 35.902 2.129 0.806 0.578 0.870 0.761 CB 1.468 47 residues pruned to eliminate duplicates L: 17 39.006 2.223 1.024 0.927 1.000 0.875 CB 1.519 17 residues pruned to eliminate duplicates M: 20 29.142 2.087 0.665 0.863 0.895 0.789 CB 1.579 20 residues pruned to eliminate duplicates N: 52 53.457 2.128 0.955 0.730 0.941 0.784 CB 1.554 51 residues pruned to eliminate duplicates O: 17 32.406 2.194 0.812 0.877 0.938 0.750 CB 1.579 17 residues pruned to eliminate duplicates P: 41 56.777 2.169 0.907 0.820 1.000 0.750 CB 1.645 41 residues pruned to eliminate duplicates Q: 84 52.414 2.188 0.636 0.673 0.928 0.711 CB 1.477 84 residues pruned to eliminate duplicates R: 17 28.024 2.093 0.759 0.892 1.000 0.750 CB 1.367 17 residues pruned to eliminate duplicates S: 50 57.177 2.224 0.865 0.717 0.980 0.755 CB 1.651 65 residues pruned to eliminate duplicates T: 26 42.487 2.178 0.688 0.922 0.960 0.640 CB 1.693 26 residues pruned to eliminate duplicates U: 27 40.056 2.173 0.764 0.912 0.885 0.692 CB 1.640 27 residues pruned to eliminate duplicates V: 27 38.635 2.219 0.690 0.884 0.962 0.692 CB 1.518 W: 41 56.285 2.180 0.995 0.806 0.950 0.775 CB 1.650 41 residues pruned to eliminate duplicates X: 11 9.719 1.949 0.528 0.464 0.900 0.600 CB 1.189 Y: 11 18.118 2.043 0.407 0.862 1.000 0.800 CB 1.464 11 residues pruned to eliminate duplicates Z: 83 60.315 2.209 0.742 0.702 0.951 0.695 CB 1.515 38 residues pruned to eliminate duplicates Z: 27 39.234 2.190 0.977 0.896 0.846 0.731 CB 1.505 27 residues pruned to eliminate duplicates Z: 10 16.584 1.999 0.332 0.872 1.000 0.778 CB 1.513 10 residues pruned to eliminate duplicates Z: 43 43.541 2.202 0.816 0.637 0.952 0.690 CB 1.552 43 residues pruned to eliminate duplicates Z: 46 48.556 2.152 0.873 0.635 0.978 0.800 CB 1.617 46 residues pruned to eliminate duplicates Z: 27 49.441 2.162 0.942 0.915 1.000 0.731 CB 1.633 27 residues pruned to eliminate duplicates Z: 28 40.379 2.134 0.606 0.913 1.000 0.815 CB 1.605 28 residues pruned to eliminate duplicates Z: 17 38.376 2.247 0.845 0.922 1.000 1.000 CB 1.628 17 residues pruned to eliminate duplicates Z: 16 27.500 2.172 0.613 0.934 1.000 0.800 CB 1.413 16 residues pruned to eliminate duplicates Z: 12 24.257 2.134 1.013 0.669 0.909 0.818 CB 1.601 12 residues pruned to eliminate duplicates Z: 81 55.619 2.182 0.758 0.664 0.913 0.637 CB 1.526 81 residues pruned to eliminate duplicates Z: 17 42.516 2.211 1.162 0.901 1.000 0.562 CB 1.588 17 residues pruned to eliminate duplicates Z: 43 39.425 2.185 0.732 0.636 0.905 0.690 CB 1.564 43 residues pruned to eliminate duplicates Z: 10 6.010 1.782 0.673 0.270 0.778 0.444 CB 1.122 10 residues pruned to eliminate duplicates Z: 43 48.720 2.127 0.904 0.750 0.952 0.643 CB 1.559 43 residues pruned to eliminate duplicates Z: 26 39.498 2.250 0.687 0.891 1.000 0.560 CB 1.496 26 residues pruned to eliminate duplicates Z: 51 36.880 2.047 0.625 0.686 0.940 0.660 CB 1.407 53 residues pruned to eliminate duplicates Z: 55 44.222 2.138 0.749 0.682 0.889 0.667 CB 1.532 55 residues pruned to eliminate duplicates Z: 12 14.216 2.020 0.793 0.473 0.818 0.636 CB 1.486 12 residues pruned to eliminate duplicates Z: 12 20.811 2.020 0.900 0.553 1.000 0.636 CB 1.553 12 residues pruned to eliminate duplicates Z: 12 15.037 2.050 0.363 0.796 0.818 0.545 CB 1.530 12 residues pruned to eliminate duplicates Z: 10 10.563 2.010 0.058 0.792 0.889 0.778 CB 1.442 10 residues pruned to eliminate duplicates Z: 44 46.791 2.228 0.790 0.746 0.977 0.721 CB 1.470 44 residues pruned to eliminate duplicates Z: 28 40.230 2.131 0.605 0.886 1.000 0.556 CB 1.632 28 residues pruned to eliminate duplicates Z: 27 41.678 2.221 0.674 0.903 0.923 0.500 CB 1.697 27 residues pruned to eliminate duplicates Z: 27 32.073 2.195 0.528 0.864 0.923 0.577 CB 1.490 27 residues pruned to eliminate duplicates Z: 42 37.479 2.174 0.849 0.630 0.878 0.707 CB 1.468 42 residues pruned to eliminate duplicates Z: 71 50.099 2.143 0.781 0.654 0.943 0.629 CB 1.442 95 residues pruned to eliminate duplicates Z: 28 45.527 2.264 0.945 0.697 0.963 0.852 CB 1.725 28 residues pruned to eliminate duplicates Z: 27 44.566 2.195 0.705 0.879 1.000 0.577 CB 1.693 27 residues pruned to eliminate duplicates Z: 26 27.593 1.914 0.800 0.747 0.960 0.720 CB 1.338 26 residues pruned to eliminate duplicates Z: 17 16.911 1.903 0.446 0.572 1.000 0.688 CB 1.434 Z: 45 43.780 2.177 0.801 0.722 0.909 0.659 CB 1.515 45 residues pruned to eliminate duplicates Z: 14 17.570 1.959 0.853 0.500 1.000 0.615 CB 1.343 14 residues pruned to eliminate duplicates Z: 14 11.280 1.771 0.727 0.403 0.923 0.692 CB 1.228 14 residues pruned to eliminate duplicates Z: 27 40.865 2.182 0.769 0.890 0.962 0.615 CB 1.553 27 residues pruned to eliminate duplicates Z: 26 47.276 2.201 0.976 0.874 0.960 0.680 CB 1.648 Z: 27 27.129 2.186 0.453 0.875 0.846 0.654 CB 1.440 27 residues pruned to eliminate duplicates Z: 33 38.091 2.151 0.912 0.627 0.938 0.750 CB 1.550 33 residues pruned to eliminate duplicates Z: 10 12.727 2.104 0.242 0.755 0.889 0.889 CB 1.455 10 residues pruned to eliminate duplicates Z: 33 38.650 2.097 0.878 0.640 0.969 0.750 CB 1.571 33 residues pruned to eliminate duplicates Z: 17 28.406 2.166 0.750 0.907 0.938 0.688 CB 1.420 17 residues pruned to eliminate duplicates Z: 18 29.479 2.132 0.678 0.922 0.941 0.706 CB 1.494 18 residues pruned to eliminate duplicates Z: 25 29.036 1.942 0.756 0.796 1.000 0.875 CB 1.341 25 residues pruned to eliminate duplicates Z: 16 38.724 2.190 1.216 0.918 1.000 0.600 CB 1.453 16 residues pruned to eliminate duplicates Z: 12 18.651 2.015 0.440 0.837 1.000 0.545 CB 1.449 12 residues pruned to eliminate duplicates Z: 16 17.816 1.843 0.401 0.935 1.000 0.800 CB 1.241 16 residues pruned to eliminate duplicates Z: 19 38.059 2.154 0.918 0.921 1.000 0.778 CB 1.527 19 residues pruned to eliminate duplicates Z: 27 46.187 2.184 0.851 0.919 1.000 0.808 CB 1.578 26 residues pruned to eliminate duplicates Z: 18 31.645 2.230 0.824 0.922 0.882 0.824 CB 1.504 18 residues pruned to eliminate duplicates Z: 16 36.546 2.240 1.035 0.931 1.000 0.800 CB 1.447 16 residues pruned to eliminate duplicates Z: 17 41.198 2.278 1.122 0.881 0.938 0.812 CB 1.646 17 residues pruned to eliminate duplicates Z: 27 44.140 2.173 0.786 0.908 1.000 0.577 CB 1.584 27 residues pruned to eliminate duplicates Z: 83 57.007 2.191 0.714 0.703 0.963 0.732 CB 1.446 83 residues pruned to eliminate duplicates Z: 54 50.299 2.084 0.867 0.715 0.943 0.698 CB 1.550 27 residues pruned to eliminate duplicates Z: 39 38.192 2.104 0.717 0.814 0.947 0.711 CB 1.378 39 residues pruned to eliminate duplicates Z: 27 35.639 2.142 0.584 0.886 0.962 0.692 CB 1.545 27 residues pruned to eliminate duplicates Z: 25 31.293 2.085 0.908 0.686 0.958 0.667 CB 1.413 25 residues pruned to eliminate duplicates Z: 25 30.258 1.946 0.809 0.803 1.000 0.917 CB 1.346 25 residues pruned to eliminate duplicates Z: 29 35.708 2.099 0.684 0.842 0.929 0.607 CB 1.532 29 residues pruned to eliminate duplicates Z: 41 57.105 2.187 0.952 0.825 0.950 0.750 CB 1.680 42 residues pruned to eliminate duplicates Z: 28 36.002 2.127 0.762 0.894 0.963 0.630 CB 1.377 28 residues pruned to eliminate duplicates Z: 11 13.346 2.064 0.272 0.793 0.800 0.600 CB 1.553 11 residues pruned to eliminate duplicates Z: 27 35.378 2.195 0.753 0.872 0.923 0.615 CB 1.424 27 residues pruned to eliminate duplicates Z: 25 17.274 2.130 0.577 0.470 0.833 0.542 CB 1.300 25 residues pruned to eliminate duplicates Z: 14 23.866 2.152 0.991 0.700 0.846 0.769 CB 1.521 14 residues pruned to eliminate duplicates Z: 42 31.544 2.049 0.587 0.745 0.927 0.610 CB 1.313 42 residues pruned to eliminate duplicates Z: 27 41.787 2.226 0.694 0.885 0.962 0.654 CB 1.632 27 residues pruned to eliminate duplicates Z: 27 36.780 2.230 0.756 0.876 0.923 0.577 CB 1.450 27 residues pruned to eliminate duplicates Z: 15 11.589 1.866 0.593 0.472 0.857 0.571 CB 1.250 Z: 19 30.209 2.096 1.022 0.865 1.000 0.722 CB 1.230 19 residues pruned to eliminate duplicates Z: 26 48.424 2.198 0.920 0.888 1.000 0.440 CB 1.654 26 residues pruned to eliminate duplicates Z: 27 34.654 2.079 0.855 0.708 1.000 0.731 CB 1.459 27 residues pruned to eliminate duplicates Z: 10 31.122 2.126 1.099 0.894 1.000 0.667 CB 1.668 10 residues pruned to eliminate duplicates Z: 41 52.646 2.176 0.844 0.781 0.975 0.825 CA 1.661 41 residues pruned to eliminate duplicates Z: 20 36.219 2.136 0.836 0.909 0.947 0.895 CB 1.586 20 residues pruned to eliminate duplicates Z: 26 49.518 2.196 0.954 0.911 1.000 0.800 CB 1.635 26 residues pruned to eliminate duplicates Z: 17 31.636 2.253 0.837 0.909 0.875 0.562 CB 1.551 17 residues pruned to eliminate duplicates Z: 27 43.225 2.207 0.728 0.884 0.962 0.769 CB 1.670 27 residues pruned to eliminate duplicates Z: 9 10.578 2.008 0.585 0.594 1.000 0.625 CB 1.074 9 residues pruned to eliminate duplicates Z: 14 12.465 1.994 0.572 0.542 0.923 0.615 CB 1.146 14 residues pruned to eliminate duplicates Z: 19 35.588 2.112 1.145 0.867 1.000 0.833 CB 1.355 19 residues pruned to eliminate duplicates Z: 26 41.034 2.256 0.797 0.898 0.960 0.600 CB 1.508 26 residues pruned to eliminate duplicates Z: 15 12.513 1.920 0.512 0.503 0.929 0.643 CB 1.237 15 residues pruned to eliminate duplicates Z: 28 35.678 2.146 0.623 0.873 0.926 0.407 CB 1.551 28 residues pruned to eliminate duplicates Z: 40 33.184 2.105 0.747 0.566 0.897 0.718 CB 1.511 42 residues pruned to eliminate duplicates Z: 56 47.336 2.124 0.861 0.690 0.891 0.618 CB 1.524 56 residues pruned to eliminate duplicates Z: 12 10.042 1.630 0.158 0.926 1.000 1.000 CB 1.124 12 residues pruned to eliminate duplicates Z: 17 14.880 1.787 0.766 0.567 0.875 0.562 CB 1.262 18 residues pruned to eliminate duplicates Z: 11 23.433 2.097 0.891 0.825 0.900 0.800 CB 1.567 11 residues pruned to eliminate duplicates Z: 20 18.234 1.909 0.361 0.831 0.947 0.842 CB 1.277 20 residues pruned to eliminate duplicates Z: 28 37.161 2.153 0.582 0.870 0.926 0.407 CB 1.654 28 residues pruned to eliminate duplicates Z: 19 31.415 2.129 0.920 0.853 1.000 0.667 CB 1.339 19 residues pruned to eliminate duplicates Z: 13 23.258 2.390 0.721 0.549 1.000 0.667 CB 1.556 13 residues pruned to eliminate duplicates Z: 32 42.674 2.238 0.722 0.708 0.935 0.839 CB 1.760 32 residues pruned to eliminate duplicates Z: 18 34.789 2.142 1.043 0.902 0.941 0.706 CB 1.461 18 residues pruned to eliminate duplicates Z: 26 32.078 1.941 0.840 0.768 1.000 0.840 CB 1.417 26 residues pruned to eliminate duplicates Z: 17 36.118 2.188 1.106 0.934 1.000 0.625 CB 1.367 17 residues pruned to eliminate duplicates Z: 17 37.951 2.273 0.990 0.935 0.938 0.750 CB 1.558 17 residues pruned to eliminate duplicates Z: 11 19.762 2.001 0.601 0.879 0.900 0.700 CB 1.572 11 residues pruned to eliminate duplicates Z: 24 31.712 1.989 0.910 0.894 0.913 0.696 CB 1.368 24 residues pruned to eliminate duplicates Z: 10 17.391 2.097 0.412 0.806 0.889 0.667 CB 1.685 10 residues pruned to eliminate duplicates Z: 11 17.148 2.144 0.421 0.783 1.000 0.600 CB 1.387 11 residues pruned to eliminate duplicates Z: 17 27.961 2.062 0.755 0.870 1.000 0.750 CB 1.410 17 residues pruned to eliminate duplicates Z: 11 22.898 1.994 0.888 0.889 0.900 0.800 CB 1.539 11 residues pruned to eliminate duplicates Z: 14 15.690 1.979 0.628 0.362 1.000 0.462 CB 1.567 14 residues pruned to eliminate duplicates Z: 11 13.983 2.064 0.338 0.767 0.800 0.700 CA 1.579 11 residues pruned to eliminate duplicates Z: 26 45.707 2.191 0.836 0.917 0.960 0.760 CB 1.670 26 residues pruned to eliminate duplicates Z: 10 12.230 2.071 0.571 0.749 0.889 0.778 CB 1.128 10 residues pruned to eliminate duplicates Z: 27 35.619 2.173 0.452 0.892 0.962 0.692 CB 1.653 27 residues pruned to eliminate duplicates Z: 17 24.903 1.842 0.922 0.942 1.000 0.938 CB 1.219 16 residues pruned to eliminate duplicates Z: 26 43.140 2.144 0.967 0.893 0.920 0.440 CB 1.597 26 residues pruned to eliminate duplicates Z: 29 40.521 2.224 0.897 0.693 0.929 0.857 CB 1.638 29 residues pruned to eliminate duplicates Z: 28 32.822 2.144 0.468 0.862 0.926 0.667 CB 1.592 28 residues pruned to eliminate duplicates Z: 11 14.657 2.053 0.322 0.815 1.000 0.700 CB 1.299 11 residues pruned to eliminate duplicates Z: 11 7.919 1.729 0.712 0.330 0.900 0.500 CB 1.132 11 residues pruned to eliminate duplicates Z: 11 24.780 2.129 0.980 0.799 1.000 0.900 CB 1.431 11 residues pruned to eliminate duplicates Z: 11 11.782 2.114 0.252 0.782 0.800 0.600 CB 1.373 11 residues pruned to eliminate duplicates Z: 43 37.582 2.155 0.929 0.623 0.929 0.810 CB 1.338 43 residues pruned to eliminate duplicates Z: 12 23.886 2.066 0.991 0.799 0.818 0.727 CB 1.648 12 residues pruned to eliminate duplicates Z: 14 20.334 1.960 0.630 0.898 0.923 0.769 CB 1.368 14 residues pruned to eliminate duplicates Z: 27 36.930 2.225 0.892 0.907 0.846 0.500 CB 1.445 27 residues pruned to eliminate duplicates Z: 12 19.908 1.947 0.515 0.928 1.000 1.000 CB 1.425 12 residues pruned to eliminate duplicates Z: 26 39.389 2.245 0.568 0.910 0.920 0.760 CB 1.726 26 residues pruned to eliminate duplicates Z: 19 34.616 2.140 0.749 0.903 0.944 0.500 CB 1.646 19 residues pruned to eliminate duplicates Z: 17 38.198 2.258 1.126 0.928 0.875 0.625 CB 1.592 17 residues pruned to eliminate duplicates Z: 41 50.864 2.185 0.931 0.775 0.925 0.675 CB 1.617 41 residues pruned to eliminate duplicates Z: 27 36.240 2.201 0.690 0.884 0.923 0.500 CB 1.495 27 residues pruned to eliminate duplicates Z: 45 50.187 2.130 0.925 0.745 0.932 0.659 CB 1.591 45 residues pruned to eliminate duplicates Z: 27 44.597 2.154 0.872 0.927 0.923 0.769 CB 1.646 27 residues pruned to eliminate duplicates Z: 21 26.226 2.024 0.713 0.663 1.000 0.800 CB 1.454 21 residues pruned to eliminate duplicates Z: 13 14.471 2.125 0.379 0.578 0.917 0.583 CB 1.443 13 residues pruned to eliminate duplicates Z: 27 34.476 2.093 0.623 0.892 0.962 0.808 CB 1.487 27 residues pruned to eliminate duplicates Z: 28 40.730 2.166 0.890 0.824 0.963 0.370 CB 1.502 28 residues pruned to eliminate duplicates Z: 14 18.736 1.811 0.812 0.725 0.923 0.769 C 1.400 14 residues pruned to eliminate duplicates Z: 8 10.506 2.074 0.392 0.578 0.857 0.714 CA 1.489 8 residues pruned to eliminate duplicates Z: 80 58.621 2.237 0.773 0.685 0.937 0.722 CB 1.498 80 residues pruned to eliminate duplicates Z: 55 44.472 2.249 0.533 0.712 0.963 0.685 CB 1.504 55 residues pruned to eliminate duplicates Z: 27 32.655 2.194 0.426 0.896 0.923 0.538 CB 1.588 27 residues pruned to eliminate duplicates Z: 14 11.745 1.811 0.432 0.767 0.923 0.385 CB 1.074 14 residues pruned to eliminate duplicates Z: 18 18.130 1.772 0.757 0.610 1.000 0.824 CB 1.272 17 residues pruned to eliminate duplicates Z: 17 30.242 2.181 0.440 0.929 1.000 0.875 CB 1.685 17 residues pruned to eliminate duplicates Z: 24 23.690 1.910 0.588 0.713 0.957 0.696 CB 1.404 24 residues pruned to eliminate duplicates Z: 7 4.616 1.441 0.114 0.627 1.000 0.833 N 1.041 7 residues pruned to eliminate duplicates Z: 53 49.070 2.127 1.039 0.637 0.942 0.731 CB 1.464 52 residues pruned to eliminate duplicates Z: 17 28.027 2.184 0.562 0.909 0.938 0.875 CB 1.555 17 residues pruned to eliminate duplicates Z: 29 43.913 2.184 0.880 0.690 1.000 0.786 CA 1.699 29 residues pruned to eliminate duplicates Z: 27 32.520 2.203 0.446 0.878 0.962 0.615 CB 1.512 27 residues pruned to eliminate duplicates Z: 40 39.955 2.167 0.825 0.664 0.923 0.769 CB 1.505 40 residues pruned to eliminate duplicates Z: 27 36.774 2.158 0.684 0.896 0.885 0.731 CB 1.607 27 residues pruned to eliminate duplicates Z: 50 46.599 2.243 0.656 0.698 0.980 0.755 CB 1.528 50 residues pruned to eliminate duplicates Z: 28 35.194 2.177 0.483 0.864 0.926 0.556 CB 1.662 28 residues pruned to eliminate duplicates Z: 41 46.040 2.163 0.806 0.766 0.950 0.675 CB 1.549 41 residues pruned to eliminate duplicates Z: 27 46.486 2.100 1.049 0.908 1.000 0.615 CB 1.505 27 residues pruned to eliminate duplicates Z: 17 24.979 2.053 0.899 0.652 0.875 0.562 CA 1.589 17 residues pruned to eliminate duplicates Z: 29 40.613 2.123 0.685 0.869 0.964 0.786 CB 1.625 29 residues pruned to eliminate duplicates Z: 17 25.566 2.078 0.693 0.927 0.938 0.812 CB 1.358 17 residues pruned to eliminate duplicates Z: 14 13.657 1.725 0.489 0.907 0.923 0.846 CB 1.136 14 residues pruned to eliminate duplicates Z: 13 13.516 2.005 0.480 0.800 0.833 0.333 CB 1.214 13 residues pruned to eliminate duplicates Z: 26 42.022 2.207 0.807 0.898 0.960 0.840 CB 1.570 26 residues pruned to eliminate duplicates Z: 15 20.255 1.882 0.555 0.919 1.000 0.929 CB 1.303 15 residues pruned to eliminate duplicates Z: 27 34.274 2.202 0.491 0.905 0.962 0.808 CB 1.515 27 residues pruned to eliminate duplicates Z: 15 8.792 1.751 0.639 0.392 0.929 0.571 CB 0.988 15 residues pruned to eliminate duplicates Z: 35 25.459 1.958 0.822 0.535 0.882 0.618 CB 1.340 34 residues pruned to eliminate duplicates Z: 48 44.329 2.131 0.782 0.704 0.936 0.532 CB 1.510 48 residues pruned to eliminate duplicates Z: 18 25.607 2.053 0.544 0.916 0.941 0.941 CA 1.471 18 residues pruned to eliminate duplicates Z: 13 22.692 2.014 0.615 0.808 1.000 0.667 CB 1.541 13 residues pruned to eliminate duplicates Z: 56 49.106 2.114 0.884 0.603 0.927 0.655 CB 1.625 73 residues pruned to eliminate duplicates Z: 12 7.276 1.725 0.319 0.688 0.818 0.364 CB 0.992 12 residues pruned to eliminate duplicates Z: 18 39.840 2.231 1.211 0.938 0.882 0.647 CB 1.545 18 residues pruned to eliminate duplicates Z: 23 21.980 1.990 0.807 0.545 0.864 0.636 CA 1.444 38 residues pruned to eliminate duplicates Z: 27 35.379 2.227 0.626 0.868 0.885 0.692 CB 1.583 27 residues pruned to eliminate duplicates Z: 24 19.284 1.937 0.896 0.567 0.913 0.478 CB 1.123 24 residues pruned to eliminate duplicates Z: 29 36.963 2.105 0.633 0.848 0.929 0.536 CB 1.623 29 residues pruned to eliminate duplicates Z: 12 21.198 1.899 1.034 0.898 0.818 0.818 CA 1.446 12 residues pruned to eliminate duplicates Z: 26 23.455 1.994 0.480 0.881 0.960 0.720 CB 1.199 26 residues pruned to eliminate duplicates Z: 11 12.921 2.133 0.132 0.760 1.000 0.500 CA 1.343 11 residues pruned to eliminate duplicates Z: 12 15.933 1.936 0.956 0.566 1.000 0.727 CB 1.190 12 residues pruned to eliminate duplicates Z: 6 5.416 1.444 0.319 0.717 1.000 0.400 CA 1.045 6 residues pruned to eliminate duplicates Z: 18 28.671 2.139 0.786 0.830 1.000 0.824 CB 1.368 18 residues pruned to eliminate duplicates Z: 53 53.399 2.306 0.762 0.729 0.942 0.712 CB 1.573 53 residues pruned to eliminate duplicates Z: 32 41.963 2.203 1.048 0.682 0.935 0.774 CB 1.511 32 residues pruned to eliminate duplicates Z: 23 30.535 2.106 0.922 0.772 0.864 0.682 CB 1.464 23 residues pruned to eliminate duplicates Z: 24 18.669 1.956 0.401 0.831 0.913 0.652 CB 1.169 24 residues pruned to eliminate duplicates Z: 18 21.929 2.000 0.681 0.900 0.941 0.882 CB 1.200 18 residues pruned to eliminate duplicates Z: 33 31.533 2.016 0.838 0.549 0.938 0.531 CB 1.529 33 residues pruned to eliminate duplicates Z: 59 52.052 2.172 0.840 0.627 0.914 0.690 CB 1.661 93 residues pruned to eliminate duplicates Z: 23 19.842 1.962 0.878 0.466 0.909 0.636 CB 1.307 23 residues pruned to eliminate duplicates Z: 28 36.581 2.159 0.637 0.865 0.926 0.630 CB 1.577 28 residues pruned to eliminate duplicates Z: 41 49.747 2.203 0.886 0.761 0.925 0.550 CB 1.623 41 residues pruned to eliminate duplicates Z: 6 3.529 1.797 -0.089 0.436 0.800 0.400 CB 1.287 Z: 26 35.574 2.182 0.634 0.893 0.920 0.600 CB 1.557 26 residues pruned to eliminate duplicates Z: 11 21.262 1.999 1.004 0.819 0.900 0.700 CB 1.414 11 residues pruned to eliminate duplicates Z: 21 20.919 2.157 0.503 0.720 0.800 0.500 CB 1.478 21 residues pruned to eliminate duplicates Z: 42 49.606 2.133 0.905 0.788 0.951 0.707 CB 1.556 42 residues pruned to eliminate duplicates Z: 39 34.624 2.061 0.625 0.771 0.974 0.711 CB 1.356 Z: 27 39.745 2.174 0.687 0.879 0.923 0.385 CB 1.670 27 residues pruned to eliminate duplicates Z: 24 24.553 1.990 0.574 0.907 0.913 0.522 CB 1.273 24 residues pruned to eliminate duplicates Z: 6 6.994 1.533 0.126 0.881 1.000 1.000 C 1.312 6 residues pruned to eliminate duplicates Z: 64 50.208 2.145 0.958 0.590 0.905 0.635 CB 1.528 64 residues pruned to eliminate duplicates Z: 10 12.984 2.259 0.605 0.433 0.889 0.444 CB 1.439 10 residues pruned to eliminate duplicates Z: 16 21.672 2.107 0.872 0.648 0.933 0.733 CB 1.325 16 residues pruned to eliminate duplicates Z: 83 51.063 2.123 0.815 0.564 0.927 0.646 CB 1.484 83 residues pruned to eliminate duplicates Z: 25 24.447 2.009 0.503 0.875 0.958 0.833 CB 1.254 25 residues pruned to eliminate duplicates Z: 25 23.210 1.987 0.521 0.849 0.958 0.750 CB 1.214 25 residues pruned to eliminate duplicates Z: 8 8.093 1.776 0.337 0.510 0.857 0.571 CB 1.487 Z: 15 17.164 2.036 0.818 0.520 0.857 0.714 CB 1.417 15 residues pruned to eliminate duplicates Z: 83 57.640 2.208 0.756 0.676 0.951 0.732 CB 1.467 83 residues pruned to eliminate duplicates Z: 39 28.718 1.922 0.811 0.510 0.947 0.737 CB 1.398 93 residues pruned to eliminate duplicates Z: 27 43.848 2.159 0.888 0.890 0.962 0.654 CB 1.578 Z: 45 43.688 2.140 0.924 0.642 0.932 0.727 CB 1.503 45 residues pruned to eliminate duplicates Z: 28 19.709 1.922 0.800 0.473 0.926 0.593 CB 1.217 29 residues pruned to eliminate duplicates Z: 25 22.827 2.003 0.356 0.878 0.958 0.667 CB 1.299 25 residues pruned to eliminate duplicates Z: 54 53.066 2.174 1.050 0.633 0.925 0.566 CB 1.562 54 residues pruned to eliminate duplicates Z: 26 24.211 1.972 0.507 0.882 0.960 0.800 CB 1.228 26 residues pruned to eliminate duplicates Z: 13 17.119 1.871 0.684 0.781 0.833 0.417 CB 1.469 13 residues pruned to eliminate duplicates Z: 40 33.149 2.065 0.592 0.776 0.949 0.667 CB 1.334 40 residues pruned to eliminate duplicates Z: 47 37.485 2.124 0.698 0.599 0.913 0.652 CB 1.527 47 residues pruned to eliminate duplicates Z: 28 49.677 2.262 1.102 0.741 0.963 0.815 CB 1.683 28 residues pruned to eliminate duplicates Z: 38 35.044 2.094 0.543 0.826 0.946 0.703 CB 1.421 39 residues pruned to eliminate duplicates Z: 20 31.708 2.079 0.661 0.903 0.947 0.684 CB 1.585 20 residues pruned to eliminate duplicates Z: 26 26.025 1.956 0.625 0.861 0.960 0.560 CB 1.253 24 residues pruned to eliminate duplicates Z: 25 24.061 1.973 0.525 0.912 0.958 0.667 CB 1.207 25 residues pruned to eliminate duplicates Z: 15 20.349 1.914 0.564 0.919 1.000 1.000 CB 1.281 15 residues pruned to eliminate duplicates Z: 25 23.185 1.940 0.538 0.864 0.917 0.750 CB 1.268 25 residues pruned to eliminate duplicates Z: 39 30.917 2.077 0.524 0.752 0.947 0.684 CB 1.336 39 residues pruned to eliminate duplicates Z: 77 56.237 2.139 0.858 0.547 0.947 0.671 CB 1.636 77 residues pruned to eliminate duplicates Z: 24 26.833 1.917 1.131 0.532 0.870 0.696 CB 1.526 24 residues pruned to eliminate duplicates Z: 11 14.895 2.049 0.684 0.467 1.000 0.800 CB 1.412 Z: 28 36.786 2.120 0.774 0.877 0.889 0.630 CB 1.538 28 residues pruned to eliminate duplicates Z: 54 42.038 2.225 0.607 0.693 0.925 0.660 CB 1.464 54 residues pruned to eliminate duplicates Z: 25 26.096 2.016 0.639 0.895 0.958 0.625 CB 1.206 25 residues pruned to eliminate duplicates Z: 48 51.008 2.148 1.004 0.653 0.957 0.638 CB 1.566 48 residues pruned to eliminate duplicates Z: 28 37.540 2.063 0.848 0.863 0.926 0.630 CB 1.501 28 residues pruned to eliminate duplicates Z: 26 26.704 2.012 0.652 0.869 0.920 0.720 CB 1.276 26 residues pruned to eliminate duplicates Z: 73 50.091 2.047 1.005 0.563 0.903 0.708 CB 1.499 81 residues pruned to eliminate duplicates Z: 26 24.312 1.891 0.768 0.698 0.960 0.760 CB 1.264 26 residues pruned to eliminate duplicates Z: 13 12.029 1.795 0.728 0.717 0.833 0.750 N 1.104 Z: 26 20.692 1.981 0.360 0.855 0.920 0.720 CB 1.232 26 residues pruned to eliminate duplicates Z: 15 7.648 1.700 0.097 0.567 0.857 0.571 CB 1.198 8 residues pruned to eliminate duplicates Z: 8 4.795 1.372 0.279 0.668 0.857 0.571 N 1.032 Z: 8 8.037 1.876 0.861 0.386 0.857 0.571 CB 1.145 8 residues pruned to eliminate duplicates Z: 48 45.356 2.154 0.743 0.613 0.957 0.745 CB 1.654 48 residues pruned to eliminate duplicates Z: 78 47.672 2.063 0.794 0.568 0.909 0.636 CB 1.511 89 residues pruned to eliminate duplicates Z: 24 18.226 1.918 0.746 0.519 0.826 0.522 CB 1.348 24 residues pruned to eliminate duplicates Z: 18 26.641 1.988 1.013 0.908 0.941 0.765 CB 1.218 18 residues pruned to eliminate duplicates Z: 17 17.542 1.813 0.684 0.874 0.875 0.750 CB 1.194 17 residues pruned to eliminate duplicates Z: 55 47.284 2.171 0.753 0.582 0.944 0.796 CB 1.655 55 residues pruned to eliminate duplicates Z: 14 15.697 1.893 0.983 0.581 0.923 0.692 CB 1.162 14 residues pruned to eliminate duplicates Z: 24 17.521 1.951 0.333 0.841 0.913 0.783 CB 1.148 24 residues pruned to eliminate duplicates Z: 12 11.093 1.728 0.658 0.742 0.818 0.545 CB 1.149 12 residues pruned to eliminate duplicates Z: 53 55.115 2.179 0.916 0.723 0.942 0.654 CB 1.588 53 residues pruned to eliminate duplicates Z: 29 29.107 2.005 0.511 0.883 0.929 0.786 CB 1.414 29 residues pruned to eliminate duplicates Z: 10 12.882 1.975 0.449 0.685 1.000 0.778 N 1.266 12 residues pruned to eliminate duplicates Z: 15 20.089 2.070 0.816 0.665 0.786 0.429 CA 1.561 15 residues pruned to eliminate duplicates Z: 9 3.853 1.674 -0.060 0.557 0.875 0.500 CB 0.936 8 residues pruned to eliminate duplicates Z: 36 40.549 2.187 0.654 0.706 0.971 0.800 CB 1.617 36 residues pruned to eliminate duplicates Z: 52 48.657 2.122 1.122 0.597 0.922 0.627 CB 1.497 52 residues pruned to eliminate duplicates Z: 15 25.544 1.932 0.979 0.909 1.000 0.714 CB 1.268 15 residues pruned to eliminate duplicates Z: 6 2.844 1.580 0.564 0.459 0.800 0.800 CB 0.671 6 residues pruned to eliminate duplicates Z: 27 31.741 2.190 0.665 0.871 0.846 0.692 CB 1.471 27 residues pruned to eliminate duplicates Z: 13 28.996 2.033 0.887 0.886 1.000 0.833 CA 1.574 Z: 19 21.482 1.913 0.714 0.835 0.944 0.611 CB 1.225 19 residues pruned to eliminate duplicates Z: 27 42.711 2.131 0.851 0.869 1.000 0.846 CB 1.550 40 residues pruned to eliminate duplicates Z: 54 56.945 2.201 0.855 0.749 0.943 0.679 CB 1.626 54 residues pruned to eliminate duplicates Z: 17 15.330 1.890 0.599 0.525 0.938 0.562 CB 1.318 Z: 11 11.393 1.832 0.633 0.508 0.800 0.700 CA 1.493 11 residues pruned to eliminate duplicates Z: 98 61.586 2.134 0.749 0.639 0.938 0.608 CB 1.568 98 residues pruned to eliminate duplicates Z: 53 49.923 2.169 0.882 0.701 0.904 0.673 CB 1.562 53 residues pruned to eliminate duplicates Z: 11 6.992 1.679 0.474 0.301 0.800 0.600 CB 1.395 11 residues pruned to eliminate duplicates Z: 47 43.841 2.087 0.942 0.609 0.935 0.674 CB 1.538 47 residues pruned to eliminate duplicates Z: 8 6.233 1.662 0.517 0.349 0.857 0.571 CA 1.284 Z: 16 21.928 1.889 0.818 0.919 1.000 0.533 CB 1.162 16 residues pruned to eliminate duplicates Z: 42 48.273 2.183 0.831 0.760 0.927 0.659 CB 1.615 42 residues pruned to eliminate duplicates Z: 14 16.424 1.902 0.854 0.573 0.923 0.769 CB 1.304 6 residues pruned to eliminate duplicates Z: 6 6.433 1.876 0.332 0.431 0.800 0.600 O 1.546 8 residues pruned to eliminate duplicates Z: 18 36.494 2.148 1.150 0.861 1.000 0.529 CB 1.409 18 residues pruned to eliminate duplicates Z: 6 10.423 2.025 0.395 0.767 1.000 1.000 CA 1.302 6 residues pruned to eliminate duplicates Z: 14 15.032 1.682 0.601 0.921 1.000 0.923 CB 1.089 14 residues pruned to eliminate duplicates Z: 17 30.306 2.218 0.666 0.878 1.000 0.938 CB 1.488 17 residues pruned to eliminate duplicates Z: 23 25.286 2.100 0.733 0.634 0.864 0.636 CB 1.513 23 residues pruned to eliminate duplicates Z: 35 36.496 2.209 0.587 0.728 0.941 0.735 CB 1.546 35 residues pruned to eliminate duplicates Z: 7 3.786 1.562 0.086 0.476 0.833 0.333 CB 1.121 Z: 8 9.138 1.790 0.531 0.843 0.857 0.571 CB 1.095 8 residues pruned to eliminate duplicates Z: 32 43.041 2.257 0.740 0.766 0.968 0.839 CB 1.607 32 residues pruned to eliminate duplicates Z: 55 56.709 2.155 1.036 0.636 0.963 0.722 CB 1.608 55 residues pruned to eliminate duplicates Z: 27 32.540 2.206 0.634 0.896 0.885 0.346 CB 1.433 27 residues pruned to eliminate duplicates Z: 9 11.052 1.988 0.697 0.795 0.875 0.625 CB 1.022 10 residues pruned to eliminate duplicates Z: 11 14.576 2.038 0.401 0.769 1.000 0.700 CA 1.273 11 residues pruned to eliminate duplicates Z: 7 3.118 1.464 0.543 0.392 0.667 0.667 CB 0.947 7 residues pruned to eliminate duplicates Z: 12 18.865 1.935 0.383 0.825 1.000 0.545 CB 1.603 12 residues pruned to eliminate duplicates Z: 52 37.997 2.031 0.690 0.666 0.980 0.725 CB 1.356 91 residues pruned to eliminate duplicates Z: 10 28.146 2.268 1.098 0.824 1.000 1.000 CB 1.489 10 residues pruned to eliminate duplicates Z: 11 13.990 2.109 0.378 0.710 0.900 0.400 CB 1.399 11 residues pruned to eliminate duplicates Z: 8 4.220 1.369 0.217 0.542 0.857 0.429 N 1.072 Z: 6 3.659 1.752 -0.151 0.518 1.000 0.800 CB 1.081 Z: 15 6.216 1.717 0.416 0.331 0.714 0.429 CB 1.151 Z: 16 18.037 1.937 0.301 0.913 1.000 0.933 CB 1.308 Z: 14 16.745 1.707 0.605 0.917 1.000 0.769 CB 1.196 14 residues pruned to eliminate duplicates Z: 13 14.024 1.836 0.538 0.628 0.917 0.417 CB 1.386 13 residues pruned to eliminate duplicates Z: 25 22.178 1.981 0.509 0.855 0.917 0.542 CB 1.219 15 residues pruned to eliminate duplicates Z: 26 39.956 2.246 0.923 0.913 0.920 0.560 CB 1.424 26 residues pruned to eliminate duplicates Z: 15 6.439 1.590 0.289 0.369 0.929 0.571 CB 1.041 15 residues pruned to eliminate duplicates Z: 10 17.396 2.144 0.449 0.731 1.000 0.778 CB 1.517 10 residues pruned to eliminate duplicates Z: 13 13.119 1.844 0.750 0.529 0.917 0.750 CB 1.244 Z: 6 4.873 2.016 -0.304 0.779 1.000 1.000 CB 1.213 Z: 16 24.776 2.124 0.457 0.922 1.000 0.933 CB 1.454 16 residues pruned to eliminate duplicates Z: 14 24.465 2.152 0.959 0.748 0.923 0.846 CB 1.397 Z: 6 4.422 1.743 0.009 0.493 1.000 0.200 CB 1.132 5 residues pruned to eliminate duplicates Z: 16 14.932 1.597 0.694 0.917 1.000 0.800 CB 1.005 16 residues pruned to eliminate duplicates Z: 15 26.606 1.922 0.953 0.902 1.000 0.571 CB 1.351 15 residues pruned to eliminate duplicates Z: 7 13.595 2.127 0.471 0.846 1.000 0.500 CB 1.318 7 residues pruned to eliminate duplicates Z: 16 26.647 1.921 1.035 0.922 1.000 0.800 CB 1.238 16 residues pruned to eliminate duplicates Z: 16 32.993 2.218 0.886 0.924 1.000 0.667 CB 1.430 16 residues pruned to eliminate duplicates Z: 12 15.276 1.939 0.620 0.779 0.909 0.455 CB 1.261 12 residues pruned to eliminate duplicates Z: 27 34.815 2.173 0.518 0.857 0.962 0.731 CB 1.587 27 residues pruned to eliminate duplicates Z: 11 17.468 1.977 0.390 0.901 1.000 0.900 CB 1.435 11 residues pruned to eliminate duplicates Z: 27 35.827 2.114 0.587 0.897 0.962 0.692 CB 1.559 27 residues pruned to eliminate duplicates Z: 53 43.739 2.167 0.694 0.698 0.904 0.615 CB 1.527 53 residues pruned to eliminate duplicates Z: 10 17.927 2.092 0.533 0.773 1.000 0.667 CB 1.464 10 residues pruned to eliminate duplicates Z: 31 12.971 1.840 0.558 0.415 0.800 0.500 CB 1.129 31 residues pruned to eliminate duplicates Z: 16 24.214 1.882 0.865 0.928 1.000 0.667 CB 1.247 16 residues pruned to eliminate duplicates Z: 15 20.857 1.902 0.576 0.885 1.000 0.857 CB 1.343 15 residues pruned to eliminate duplicates Z: 49 48.100 2.251 0.896 0.635 0.958 0.646 CB 1.496 49 residues pruned to eliminate duplicates Z: 15 21.537 1.886 0.797 0.907 1.000 0.786 CB 1.207 15 residues pruned to eliminate duplicates Z: 16 10.801 1.548 0.332 0.890 1.000 0.733 CB 0.974 16 residues pruned to eliminate duplicates Z: 14 12.970 1.818 0.696 0.534 0.923 0.846 CB 1.222 14 residues pruned to eliminate duplicates Z: 12 6.974 1.910 0.101 0.185 0.909 0.364 CB 1.605 12 residues pruned to eliminate duplicates Z: 16 25.486 1.883 1.189 0.944 1.000 0.733 CB 1.106 16 residues pruned to eliminate duplicates Z: 42 46.327 2.135 0.918 0.741 0.902 0.732 CB 1.577 42 residues pruned to eliminate duplicates Z: 28 44.140 2.104 0.868 0.898 0.963 0.667 CB 1.606 28 residues pruned to eliminate duplicates Z: 54 47.326 2.295 0.556 0.707 0.981 0.717 CB 1.537 54 residues pruned to eliminate duplicates Z: 28 34.195 2.072 0.732 0.884 0.889 0.556 CB 1.491 28 residues pruned to eliminate duplicates Z: 13 6.658 1.698 0.578 0.420 0.833 0.583 CB 0.935 13 residues pruned to eliminate duplicates Z: 51 30.343 2.034 0.757 0.532 0.880 0.640 CB 1.322 51 residues pruned to eliminate duplicates Z: 26 27.252 1.958 0.641 0.874 0.960 0.720 CB 1.286 25 residues pruned to eliminate duplicates Z: 9 10.547 1.859 0.511 0.533 1.000 0.625 CA 1.285 9 residues pruned to eliminate duplicates Z: 11 3.519 1.606 -0.077 0.435 0.900 0.600 CB 0.892 6 residues pruned to eliminate duplicates Z: 16 13.580 1.677 0.587 0.624 0.933 0.667 CB 1.256 16 residues pruned to eliminate duplicates Z: 8 5.490 1.857 0.122 0.440 0.714 0.429 C 1.483 Z: 15 21.000 1.865 0.808 0.906 1.000 0.643 CB 1.184 15 residues pruned to eliminate duplicates Z: 39 24.639 1.967 0.430 0.652 0.895 0.526 CB 1.379 40 residues pruned to eliminate duplicates Z: 11 20.010 2.137 0.760 0.693 0.900 0.900 CA 1.567 11 residues pruned to eliminate duplicates Z: 9 4.498 1.576 0.315 0.376 0.875 0.500 N 1.001 Z: 12 14.008 1.791 0.639 0.832 1.000 0.636 CB 1.081 12 residues pruned to eliminate duplicates Z: 19 22.612 1.942 0.625 0.877 0.944 0.722 CB 1.298 19 residues pruned to eliminate duplicates Z: 7 3.915 1.423 0.241 0.433 0.833 0.333 C 1.164 7 residues pruned to eliminate duplicates 7 1.872 1.727 -0.272 0.616 0.833 0.833 CB 0.654 ? Z: 21 13.183 1.789 0.516 0.516 0.950 0.700 CB 1.127 21 residues pruned to eliminate duplicates Z: 45 28.340 1.903 0.750 0.480 0.909 0.500 CA 1.440 45 residues pruned to eliminate duplicates Z: 26 37.261 2.223 0.708 0.895 0.920 0.520 CB 1.529 26 residues pruned to eliminate duplicates Z: 9 13.401 1.926 0.408 0.840 0.875 0.750 CA 1.490 9 residues pruned to eliminate duplicates Z: 15 15.403 1.883 0.329 0.804 0.929 0.857 CB 1.359 15 residues pruned to eliminate duplicates Z: 14 6.980 1.759 0.744 0.312 0.769 0.385 CB 1.010 14 residues pruned to eliminate duplicates Z: 12 36.337 2.295 1.160 0.856 1.000 1.000 CB 1.629 12 residues pruned to eliminate duplicates Z: 16 13.480 1.591 0.633 0.908 1.000 0.867 CB 0.951 16 residues pruned to eliminate duplicates Z: 57 52.633 2.146 0.933 0.635 0.929 0.643 CB 1.608 57 residues pruned to eliminate duplicates Z: 11 18.020 1.966 0.480 0.852 0.900 0.800 CB 1.609 11 residues pruned to eliminate duplicates 6 0.697 1.176 -0.183 0.434 0.800 0.600 CB 0.434 ? Z: 14 27.522 2.043 1.070 0.877 0.923 0.846 CB 1.419 14 residues pruned to eliminate duplicates Z: 57 48.881 2.096 1.107 0.611 0.893 0.750 CB 1.491 56 residues pruned to eliminate duplicates Z: 29 26.791 2.146 0.721 0.608 0.893 0.571 CB 1.387 29 residues pruned to eliminate duplicates Z: 45 31.387 2.067 0.758 0.565 0.864 0.636 CB 1.415 45 residues pruned to eliminate duplicates Z: 11 8.867 1.799 0.520 0.762 0.700 0.700 CA 1.160 11 residues pruned to eliminate duplicates Z: 16 32.397 2.199 0.982 0.941 0.933 0.600 CB 1.427 16 residues pruned to eliminate duplicates Z: 8 5.688 1.668 0.485 0.447 0.714 0.571 C 1.283 8 residues pruned to eliminate duplicates Z: 8 4.997 1.608 -0.065 0.649 0.857 0.714 CB 1.274 Z: 9 10.367 1.764 0.838 0.496 0.750 0.500 O 1.514 9 residues pruned to eliminate duplicates Z: 9 13.889 1.805 0.654 0.743 1.000 0.750 CB 1.323 9 residues pruned to eliminate duplicates Z: 28 40.301 2.093 0.817 0.882 0.963 0.481 CB 1.533 28 residues pruned to eliminate duplicates Z: 27 34.612 2.190 0.597 0.902 0.962 0.462 CB 1.440 27 residues pruned to eliminate duplicates Z: 12 29.545 2.233 0.961 0.809 1.000 0.818 CB 1.553 12 residues pruned to eliminate duplicates Z: 14 15.050 1.687 0.598 0.931 1.000 0.231 CB 1.081 14 residues pruned to eliminate duplicates Z: 10 7.892 1.698 0.778 0.651 1.000 0.667 CB 0.757 Z: 6 3.544 1.538 0.858 0.481 0.600 0.600 CB 0.942 Z: 27 17.553 1.781 0.430 0.598 1.000 0.692 CB 1.231 34 residues pruned to eliminate duplicates Z: 6 3.944 1.770 -0.204 0.749 1.000 1.000 CB 1.002 Z: 6 3.555 1.609 -0.208 0.633 1.000 0.600 O 1.101 6 residues pruned to eliminate duplicates Z: 16 22.871 1.958 1.026 0.712 0.933 0.867 CB 1.316 16 residues pruned to eliminate duplicates Z: 8 5.167 1.675 0.019 0.667 1.000 0.714 CB 0.981 4 residues pruned to eliminate duplicates Z: 25 14.003 1.801 0.465 0.477 0.875 0.625 CB 1.268 29 residues pruned to eliminate duplicates Z: 14 18.671 1.816 0.665 0.914 1.000 0.769 CB 1.211 14 residues pruned to eliminate duplicates Z: 44 44.076 2.183 0.892 0.622 0.930 0.721 CB 1.559 44 residues pruned to eliminate duplicates Z: 11 7.676 1.541 0.904 0.488 0.900 0.600 CB 0.931 Z: 41 46.715 2.161 0.778 0.740 0.950 0.700 CB 1.632 41 residues pruned to eliminate duplicates Z: 48 43.583 2.221 0.633 0.710 0.915 0.638 CB 1.583 22 residues pruned to eliminate duplicates Z: 16 23.230 1.884 0.600 0.910 1.000 1.000 CA 1.411 Z: 26 44.427 2.172 0.867 0.854 1.000 0.640 CB 1.618 26 residues pruned to eliminate duplicates Z: 6 9.115 1.772 0.679 0.658 1.000 0.600 CA 1.183 6 residues pruned to eliminate duplicates Z: 7 11.500 1.976 0.374 0.751 1.000 0.833 CB 1.381 7 residues pruned to eliminate duplicates Z: 18 11.933 1.726 0.519 0.498 0.882 0.588 CB 1.253 18 residues pruned to eliminate duplicates Z: 26 18.789 1.892 0.695 0.537 0.920 0.680 CB 1.228 42 residues pruned to eliminate duplicates Z: 14 14.217 1.679 0.554 0.897 1.000 0.615 CB 1.082 14 residues pruned to eliminate duplicates Z: 27 32.040 2.115 0.574 0.860 1.000 0.500 CB 1.388 27 residues pruned to eliminate duplicates Z: 55 43.832 2.242 0.571 0.694 0.944 0.704 CB 1.501 55 residues pruned to eliminate duplicates Z: 14 14.506 1.641 0.579 0.923 1.000 0.692 CB 1.091 14 residues pruned to eliminate duplicates Z: 7 3.325 1.654 -0.066 0.631 1.000 0.667 CB 0.777 Z: 9 8.953 1.765 0.719 0.673 0.875 0.625 CB 1.017 Z: 18 29.099 2.096 0.923 0.901 0.882 0.647 CB 1.416 18 residues pruned to eliminate duplicates Z: 12 13.125 1.859 0.794 0.623 0.909 0.545 CB 1.162 12 residues pruned to eliminate duplicates Z: 25 16.171 1.879 0.559 0.476 0.875 0.625 CB 1.320 25 residues pruned to eliminate duplicates Z: 26 41.510 2.247 0.678 0.879 0.920 0.760 CB 1.736 26 residues pruned to eliminate duplicates Z: 22 21.008 1.910 0.814 0.539 0.857 0.571 CB 1.486 30 residues pruned to eliminate duplicates Z: 13 12.047 1.656 0.386 0.901 1.000 1.000 CB 1.082 13 residues pruned to eliminate duplicates Z: 7 3.613 1.379 0.425 0.424 0.833 0.333 CB 0.974 Z: 101 70.369 2.144 0.839 0.675 0.970 0.700 CB 1.565 101 residues pruned to eliminate duplicates Z: 6 2.694 1.326 0.268 0.383 1.000 0.400 CB 0.811 8 1.969 1.257 -0.080 0.413 0.857 0.429 CB 0.823 ? Z: 8 3.987 1.609 -0.032 0.548 0.857 0.571 CB 1.077 8 residues pruned to eliminate duplicates Z: 39 32.449 2.141 0.726 0.544 0.895 0.605 CB 1.525 39 residues pruned to eliminate duplicates Z: 28 50.130 2.261 1.025 0.761 0.963 0.889 CB 1.736 28 residues pruned to eliminate duplicates Z: 14 23.190 2.333 0.598 0.677 1.000 0.846 CB 1.465 14 residues pruned to eliminate duplicates Z: 16 22.533 1.834 0.944 0.918 1.000 0.467 CB 1.151 Z: 6 4.062 1.734 0.674 0.684 1.000 0.600 CB 0.529 6 residues pruned to eliminate duplicates Z: 10 9.975 1.945 0.181 0.845 0.778 0.222 CB 1.385 10 residues pruned to eliminate duplicates Z: 15 7.553 1.674 0.739 0.327 0.714 0.357 CB 1.174 Z: 13 30.665 2.095 0.959 0.739 1.000 0.917 CA 1.741 13 residues pruned to eliminate duplicates Z: 7 4.974 1.698 0.685 0.461 0.833 0.833 CB 0.886 7 residues pruned to eliminate duplicates Z: 53 45.784 2.153 0.782 0.642 0.962 0.673 CB 1.508 53 residues pruned to eliminate duplicates Z: 15 17.002 1.880 0.506 0.846 1.000 0.571 CB 1.193 15 residues pruned to eliminate duplicates Z: 13 5.669 1.688 0.628 0.340 0.667 0.500 CB 1.063 15 residues pruned to eliminate duplicates Z: 29 33.824 2.135 0.710 0.777 0.964 0.857 CB 1.422 29 residues pruned to eliminate duplicates Z: 47 36.581 2.042 0.973 0.595 0.870 0.543 CB 1.406 47 residues pruned to eliminate duplicates Z: 40 28.782 2.035 0.406 0.758 0.949 0.641 CB 1.350 40 residues pruned to eliminate duplicates Z: 9 3.482 1.694 -0.201 0.495 1.000 0.625 CB 0.914 Z: 6 2.623 1.731 -0.504 0.821 1.000 0.800 CB 1.035 8 residues pruned to eliminate duplicates 8 1.903 1.323 0.410 0.252 0.714 0.143 CA 0.718 ? Z: 6 2.887 1.432 0.480 0.397 0.800 0.600 N 0.849 Z: 7 6.661 1.818 0.477 0.737 1.000 0.833 CB 0.819 7 residues pruned to eliminate duplicates Z: 17 14.517 1.855 0.700 0.529 1.000 0.625 CB 1.119 18 residues pruned to eliminate duplicates Z: 16 25.130 2.158 0.710 0.822 0.867 0.600 CB 1.534 16 residues pruned to eliminate duplicates Z: 10 11.902 1.887 0.357 0.832 0.889 0.778 CB 1.308 10 residues pruned to eliminate duplicates Z: 26 34.213 2.217 0.542 0.895 0.960 0.520 CB 1.494 29 residues pruned to eliminate duplicates Z: 15 30.063 2.166 0.843 0.759 1.000 0.929 CB 1.599 15 residues pruned to eliminate duplicates Z: 16 15.558 1.877 0.874 0.426 0.867 0.600 CA 1.423 15 residues pruned to eliminate duplicates Z: 7 5.764 1.609 0.553 0.543 0.833 0.667 CB 1.083 Z: 6 5.288 1.597 0.049 0.879 1.000 0.800 CA 1.024 Z: 10 8.690 1.814 0.663 0.378 1.000 0.556 CB 1.094 10 residues pruned to eliminate duplicates Z: 26 23.413 2.000 0.496 0.880 0.960 0.880 CB 1.181 26 residues pruned to eliminate duplicates Z: 13 16.609 2.119 0.554 0.712 0.917 0.750 CB 1.311 13 residues pruned to eliminate duplicates Z: 45 30.018 2.010 0.759 0.617 0.864 0.659 CB 1.327 85 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 24 31.265 2.041 0.794 0.754 0.957 0.870 CB 1.485 24 residues pruned to eliminate duplicates Z: 25 32.441 1.970 0.895 0.807 1.000 0.958 CB 1.358 25 residues pruned to eliminate duplicates Z: 25 31.982 1.981 0.853 0.760 1.000 0.875 CB 1.411 25 residues pruned to eliminate duplicates Z: 24 31.981 2.026 0.874 0.746 1.000 0.870 CB 1.409 24 residues pruned to eliminate duplicates Z: 25 31.834 1.970 0.888 0.802 1.000 0.833 CB 1.342 25 residues pruned to eliminate duplicates Z: 26 27.985 1.908 0.759 0.720 1.000 0.840 CB 1.367 26 residues pruned to eliminate duplicates Z: 13 21.746 2.086 0.957 0.646 0.917 0.667 CB 1.464 13 residues pruned to eliminate duplicates Z: 23 32.347 2.061 0.845 0.737 1.000 0.818 CB 1.466 23 residues pruned to eliminate duplicates Z: 26 28.573 1.935 0.803 0.746 1.000 0.920 CB 1.315 26 residues pruned to eliminate duplicates Z: 26 26.855 1.921 0.706 0.763 1.000 0.800 CB 1.298 26 residues pruned to eliminate duplicates Z: 25 29.032 1.981 0.824 0.759 0.958 0.833 CB 1.359 25 residues pruned to eliminate duplicates Z: 24 31.635 1.991 0.899 0.797 1.000 0.783 CB 1.345 24 residues pruned to eliminate duplicates Z: 26 27.762 1.897 0.830 0.734 0.960 0.760 CB 1.350 26 residues pruned to eliminate duplicates Z: 27 25.433 1.834 0.819 0.732 1.000 0.615 CB 1.214 27 residues pruned to eliminate duplicates Z: 49 48.458 2.223 0.780 0.675 0.958 0.771 CB 1.570 49 residues pruned to eliminate duplicates Z: 98 56.647 2.169 0.731 0.629 0.918 0.691 CB 1.479 98 residues pruned to eliminate duplicates Z: 31 44.936 2.305 0.765 0.748 0.967 0.800 CB 1.672 31 residues pruned to eliminate duplicates Z: 34 40.569 2.222 0.715 0.711 0.970 0.758 CB 1.578 34 residues pruned to eliminate duplicates Z: 53 42.156 2.160 0.810 0.639 0.942 0.731 CB 1.393 53 residues pruned to eliminate duplicates Z: 42 49.676 2.228 0.865 0.756 0.951 0.707 CB 1.563 42 residues pruned to eliminate duplicates Z: 83 58.303 2.183 0.844 0.665 0.927 0.683 CB 1.482 60 residues pruned to eliminate duplicates Z: 11 19.898 1.976 0.705 0.882 0.900 0.700 CB 1.502 11 residues pruned to eliminate duplicates Z: 11 19.107 2.131 0.569 0.840 1.000 0.900 CB 1.348 11 residues pruned to eliminate duplicates Z: 83 56.414 2.219 0.770 0.681 0.927 0.732 CB 1.450 83 residues pruned to eliminate duplicates Z: 52 42.236 2.194 0.825 0.656 0.902 0.667 CB 1.417 52 residues pruned to eliminate duplicates Z: 82 59.661 2.197 0.886 0.674 0.926 0.765 CB 1.472 82 residues pruned to eliminate duplicates Z: 42 39.254 2.178 0.833 0.638 0.902 0.756 CB 1.495 42 residues pruned to eliminate duplicates Z: 81 62.317 2.241 0.893 0.666 0.938 0.637 CB 1.503 81 residues pruned to eliminate duplicates Z: 28 18.395 2.130 0.608 0.502 0.852 0.481 CB 1.212 28 residues pruned to eliminate duplicates Z: 15 23.409 2.289 0.783 0.539 1.000 0.643 CB 1.475 15 residues pruned to eliminate duplicates Z: 15 18.773 2.256 0.733 0.473 1.000 0.714 CB 1.320 15 residues pruned to eliminate duplicates Z: 42 34.762 2.149 0.766 0.592 0.902 0.659 CB 1.452 42 residues pruned to eliminate duplicates Z: 30 24.959 2.224 0.681 0.509 0.897 0.690 CB 1.371 30 residues pruned to eliminate duplicates Z: 83 62.038 2.207 0.845 0.684 0.951 0.744 CB 1.494 83 residues pruned to eliminate duplicates Z: 42 37.399 2.155 0.826 0.618 0.927 0.585 CB 1.432 42 residues pruned to eliminate duplicates Z: 27 26.396 2.166 0.735 0.562 0.962 0.577 CB 1.349 27 residues pruned to eliminate duplicates Z: 84 61.530 2.199 0.864 0.673 0.964 0.723 CB 1.458 84 residues pruned to eliminate duplicates Z: 42 40.140 2.185 0.882 0.618 0.927 0.683 CB 1.471 42 residues pruned to eliminate duplicates Z: 52 45.190 2.178 0.841 0.662 0.961 0.765 CB 1.413 51 residues pruned to eliminate duplicates Z: 6 4.946 1.681 0.809 0.284 0.800 0.600 CB 1.160 6 residues pruned to eliminate duplicates Z: 42 37.013 2.163 0.854 0.611 0.902 0.634 CB 1.437 42 residues pruned to eliminate duplicates Z: 28 39.362 2.130 1.004 0.742 0.963 0.852 CB 1.484 28 residues pruned to eliminate duplicates Z: 52 42.831 2.200 0.898 0.650 0.902 0.647 CB 1.384 52 residues pruned to eliminate duplicates Z: 42 33.249 2.148 0.749 0.581 0.951 0.610 CB 1.344 42 residues pruned to eliminate duplicates Z: 43 30.713 2.146 0.645 0.583 0.929 0.667 CB 1.335 43 residues pruned to eliminate duplicates Z: 27 24.207 2.075 0.509 0.682 0.962 0.692 CB 1.334 27 residues pruned to eliminate duplicates Z: 66 51.811 2.236 0.779 0.639 0.954 0.677 CB 1.487 66 residues pruned to eliminate duplicates Z: 65 51.436 2.249 0.726 0.689 0.906 0.688 CB 1.537 65 residues pruned to eliminate duplicates Z: 50 54.725 2.264 0.824 0.763 0.918 0.755 CB 1.633 50 residues pruned to eliminate duplicates Z: 79 59.469 2.226 0.807 0.723 0.949 0.756 CB 1.443 79 residues pruned to eliminate duplicates Z: 45 42.692 2.223 0.830 0.711 0.886 0.636 CB 1.473 45 residues pruned to eliminate duplicates Z: 41 47.242 2.246 0.799 0.772 0.925 0.675 CB 1.572 41 residues pruned to eliminate duplicates Z: 53 51.469 2.309 0.689 0.735 0.962 0.808 CB 1.542 53 residues pruned to eliminate duplicates Z: 50 42.340 2.115 0.788 0.665 0.918 0.735 CB 1.495 50 residues pruned to eliminate duplicates Z: 38 42.347 2.200 0.796 0.668 0.973 0.730 CB 1.550 38 residues pruned to eliminate duplicates Z: 41 44.228 2.218 0.685 0.769 0.975 0.725 CB 1.512 41 residues pruned to eliminate duplicates Z: 32 43.696 2.255 0.811 0.725 0.968 0.806 CB 1.622 32 residues pruned to eliminate duplicates Z: 81 58.539 2.215 0.769 0.663 0.950 0.713 CB 1.512 81 residues pruned to eliminate duplicates Z: 78 56.978 2.186 0.862 0.660 0.948 0.662 CB 1.450 78 residues pruned to eliminate duplicates Z: 44 45.776 2.231 0.686 0.755 0.977 0.721 CB 1.513 44 residues pruned to eliminate duplicates Z: 50 40.906 2.278 0.584 0.645 0.959 0.694 CB 1.475 50 residues pruned to eliminate duplicates Z: 32 43.924 2.282 0.645 0.750 1.000 0.871 CB 1.681 32 residues pruned to eliminate duplicates Z: 43 49.369 2.235 0.823 0.748 0.952 0.571 CB 1.573 43 residues pruned to eliminate duplicates Z: 80 58.368 2.227 0.730 0.703 0.937 0.684 CB 1.513 80 residues pruned to eliminate duplicates Z: 78 56.142 2.218 0.707 0.665 0.948 0.818 CB 1.530 78 residues pruned to eliminate duplicates Z: 81 61.317 2.233 0.770 0.714 0.938 0.700 CB 1.524 81 residues pruned to eliminate duplicates Z: 53 50.465 2.302 0.728 0.706 0.962 0.750 CB 1.517 53 residues pruned to eliminate duplicates Z: 43 50.550 2.248 0.888 0.754 0.952 0.667 CB 1.539 43 residues pruned to eliminate duplicates Z: 60 52.930 2.194 0.902 0.704 0.932 0.644 CB 1.472 60 residues pruned to eliminate duplicates Z: 33 51.589 2.293 0.893 0.772 0.969 0.781 CB 1.705 33 residues pruned to eliminate duplicates Z: 42 43.386 2.243 0.669 0.737 0.951 0.585 CB 1.538 42 residues pruned to eliminate duplicates Z: 32 48.316 2.276 0.976 0.729 0.968 0.677 CB 1.622 32 residues pruned to eliminate duplicates Z: 40 51.802 2.259 0.819 0.794 0.949 0.718 CB 1.644 40 residues pruned to eliminate duplicates Z: 85 58.713 2.185 0.843 0.636 0.952 0.702 CB 1.470 85 residues pruned to eliminate duplicates Z: 40 45.524 2.284 0.752 0.760 0.923 0.538 CB 1.566 40 residues pruned to eliminate duplicates Z: 37 42.949 2.221 0.888 0.668 0.944 0.694 CB 1.547 37 residues pruned to eliminate duplicates Z: 43 47.635 2.243 0.798 0.742 0.952 0.619 CB 1.540 43 residues pruned to eliminate duplicates Z: 28 27.468 2.057 0.770 0.662 0.926 0.778 CB 1.349 28 residues pruned to eliminate duplicates Z: 27 32.063 2.125 0.741 0.700 0.962 0.654 CB 1.474 27 residues pruned to eliminate duplicates Z: 76 48.965 2.206 0.872 0.624 0.880 0.667 CB 1.384 76 residues pruned to eliminate duplicates Z: 23 23.083 2.067 0.750 0.499 0.955 0.591 CB 1.427 23 residues pruned to eliminate duplicates Z: 28 32.731 2.089 0.880 0.718 0.963 0.815 CB 1.367 28 residues pruned to eliminate duplicates Z: 83 58.758 2.184 0.948 0.674 0.902 0.707 CB 1.440 83 residues pruned to eliminate duplicates Z: 42 34.447 2.152 0.844 0.558 0.902 0.512 CB 1.419 42 residues pruned to eliminate duplicates Z: 42 42.084 2.185 0.915 0.653 0.951 0.634 CB 1.433 41 residues pruned to eliminate duplicates Z: 17 25.970 1.798 1.160 0.930 1.000 0.438 CB 1.169 18 residues pruned to eliminate duplicates Z: 16 27.017 1.884 1.129 0.945 1.000 0.667 CB 1.203 16 residues pruned to eliminate duplicates Z: 27 38.046 2.115 1.112 0.749 0.962 0.769 CB 1.391 27 residues pruned to eliminate duplicates Z: 29 26.773 2.024 0.738 0.628 0.964 0.679 CB 1.323 29 residues pruned to eliminate duplicates Z: 25 17.893 1.888 0.756 0.523 0.917 0.583 CB 1.175 Z: 6 3.761 1.427 1.016 0.399 0.800 0.600 CB 0.813 6 residues pruned to eliminate duplicates Z: 17 11.314 1.721 0.680 0.479 0.875 0.562 CB 1.143 18 residues pruned to eliminate duplicates Z: 6 6.964 1.616 0.896 0.378 1.000 0.400 CB 1.158 6 residues pruned to eliminate duplicates Z: 19 11.789 1.750 0.637 0.455 0.889 0.500 CB 1.143 19 residues pruned to eliminate duplicates Z: 10 6.551 1.701 0.563 0.328 0.778 0.556 CB 1.276 10 residues pruned to eliminate duplicates Z: 36 26.766 1.997 0.680 0.555 0.943 0.714 CB 1.356 60 residues pruned to eliminate duplicates Z: 15 14.109 1.883 0.620 0.540 0.929 0.643 CB 1.280 Z: 6 5.452 1.491 0.161 0.849 1.000 0.800 CB 1.044 6 residues pruned to eliminate duplicates Z: 6 4.249 1.571 -0.024 0.647 1.000 0.600 CB 1.081 6 residues pruned to eliminate duplicates Z: 7 2.941 1.567 -0.072 0.570 0.833 0.667 CB 0.926 7 residues pruned to eliminate duplicates Z: 21 11.013 1.854 0.299 0.404 0.850 0.600 CB 1.330 21 residues pruned to eliminate duplicates Z: 6 5.165 1.608 0.670 0.411 1.000 1.000 CA 0.945 6 residues pruned to eliminate duplicates Z: 17 13.339 1.879 0.480 0.493 0.875 0.562 CB 1.380 17 residues pruned to eliminate duplicates Z: 15 17.135 2.006 0.805 0.519 0.857 0.643 CB 1.447 15 residues pruned to eliminate duplicates Z: 20 18.235 1.873 0.714 0.555 0.947 0.632 CB 1.303 19 residues pruned to eliminate duplicates Z: 6 7.087 1.700 0.681 0.374 1.000 0.400 C 1.268 6 residues pruned to eliminate duplicates Z: 8 7.415 1.934 0.649 0.381 0.857 0.429 CB 1.164 8 residues pruned to eliminate duplicates Z: 15 9.373 1.845 0.601 0.409 0.857 0.500 CB 1.088 15 residues pruned to eliminate duplicates Z: 6 5.821 1.555 0.701 0.464 1.000 1.000 CA 1.021 6 residues pruned to eliminate duplicates Z: 52 38.513 2.057 0.670 0.702 0.961 0.627 CB 1.359 92 residues pruned to eliminate duplicates Z: 39 36.097 2.090 0.712 0.797 0.921 0.737 CB 1.370 Z: 7 10.962 1.762 1.117 0.371 1.000 0.333 CA 1.377 7 residues pruned to eliminate duplicates Z: 22 26.463 2.036 0.808 0.659 1.000 0.810 CB 1.353 22 residues pruned to eliminate duplicates Z: 6 9.222 1.730 1.010 0.359 1.000 0.600 CA 1.381 6 residues pruned to eliminate duplicates Z: 39 34.271 2.054 0.612 0.771 0.947 0.711 CB 1.394 40 residues pruned to eliminate duplicates Z: 29 22.165 1.926 0.424 0.785 0.964 0.643 CB 1.233 28 residues pruned to eliminate duplicates Z: 28 22.983 1.997 0.364 0.820 1.000 0.741 CB 1.230 28 residues pruned to eliminate duplicates Z: 25 23.212 1.994 0.497 0.851 0.958 0.708 CB 1.226 25 residues pruned to eliminate duplicates Z: 39 34.104 2.109 0.579 0.797 0.921 0.711 CB 1.391 39 residues pruned to eliminate duplicates Z: 89 47.691 2.055 0.678 0.663 0.886 0.580 CB 1.431 80 residues pruned to eliminate duplicates Z: 25 24.484 1.977 0.456 0.861 0.958 0.625 CB 1.331 25 residues pruned to eliminate duplicates Z: 44 31.743 1.971 0.693 0.705 0.953 0.605 CB 1.263 44 residues pruned to eliminate duplicates Z: 37 36.481 2.103 0.625 0.806 0.972 0.694 CB 1.400 37 residues pruned to eliminate duplicates Z: 39 37.314 2.094 0.672 0.786 0.974 0.658 CB 1.380 39 residues pruned to eliminate duplicates Z: 26 24.934 1.995 0.524 0.882 0.960 0.640 CB 1.236 26 residues pruned to eliminate duplicates Z: 38 39.657 2.102 0.727 0.808 0.973 0.703 CB 1.411 38 residues pruned to eliminate duplicates Z: 48 31.899 2.032 0.626 0.690 0.872 0.574 CB 1.356 48 residues pruned to eliminate duplicates Z: 56 33.443 2.026 0.537 0.645 0.945 0.545 CB 1.338 56 residues pruned to eliminate duplicates Z: 39 38.821 2.084 0.701 0.784 0.974 0.711 CB 1.421 39 residues pruned to eliminate duplicates Z: 55 36.548 2.019 0.655 0.665 0.944 0.593 CB 1.353 54 residues pruned to eliminate duplicates Z: 19 24.205 1.983 0.609 0.852 0.944 0.778 CB 1.400 19 residues pruned to eliminate duplicates Z: 29 20.360 1.962 0.485 0.767 0.857 0.643 CB 1.216 29 residues pruned to eliminate duplicates Z: 51 36.757 2.065 0.713 0.698 0.880 0.620 CB 1.394 52 residues pruned to eliminate duplicates Z: 25 23.643 2.015 0.421 0.865 0.958 0.708 CB 1.288 25 residues pruned to eliminate duplicates Z: 51 37.531 2.083 0.607 0.697 0.940 0.680 CB 1.410 51 residues pruned to eliminate duplicates Z: 40 33.359 2.061 0.614 0.772 0.949 0.667 CB 1.331 40 residues pruned to eliminate duplicates Z: 52 38.034 2.056 0.676 0.680 0.941 0.667 CB 1.392 52 residues pruned to eliminate duplicates Z: 37 34.275 2.023 0.765 0.739 0.917 0.750 CB 1.409 37 residues pruned to eliminate duplicates Z: 9 10.839 1.964 0.375 0.783 0.875 0.375 CB 1.265 9 residues pruned to eliminate duplicates Z: 28 19.849 1.929 0.364 0.745 0.963 0.778 CB 1.211 28 residues pruned to eliminate duplicates Z: 38 38.409 2.097 0.742 0.801 0.973 0.703 CB 1.366 38 residues pruned to eliminate duplicates Z: 23 19.101 2.049 0.608 0.561 0.864 0.455 CB 1.349 23 residues pruned to eliminate duplicates Z: 64 40.089 2.006 0.736 0.623 0.952 0.587 CB 1.357 64 residues pruned to eliminate duplicates Z: 56 46.730 2.107 0.738 0.686 0.945 0.673 CB 1.535 56 residues pruned to eliminate duplicates Z: 41 48.270 2.181 0.848 0.767 0.925 0.700 CB 1.615 41 residues pruned to eliminate duplicates Z: 53 54.271 2.168 0.902 0.723 0.923 0.596 CB 1.617 53 residues pruned to eliminate duplicates Z: 43 45.317 2.146 0.864 0.732 0.881 0.595 CB 1.610 43 residues pruned to eliminate duplicates Z: 73 50.118 2.112 0.737 0.670 0.903 0.639 CB 1.525 73 residues pruned to eliminate duplicates Z: 43 45.925 2.139 0.870 0.719 0.905 0.643 CB 1.606 43 residues pruned to eliminate duplicates Z: 55 50.278 2.170 0.768 0.698 0.944 0.630 CB 1.576 55 residues pruned to eliminate duplicates Z: 42 48.900 2.185 0.851 0.752 0.927 0.634 CB 1.627 42 residues pruned to eliminate duplicates Z: 42 47.700 2.170 0.909 0.744 0.902 0.561 CB 1.602 42 residues pruned to eliminate duplicates Z: 31 45.344 2.159 1.019 0.757 0.967 0.733 CB 1.564 31 residues pruned to eliminate duplicates Z: 67 47.773 2.081 0.714 0.702 0.909 0.667 CB 1.509 67 residues pruned to eliminate duplicates Z: 40 53.730 2.193 0.932 0.782 0.949 0.564 CB 1.670 40 residues pruned to eliminate duplicates Z: 30 45.002 2.180 0.998 0.743 0.966 0.793 CB 1.598 30 residues pruned to eliminate duplicates Z: 41 48.186 2.183 0.829 0.763 0.925 0.600 CB 1.634 41 residues pruned to eliminate duplicates Z: 41 47.329 2.201 0.871 0.765 0.900 0.575 CB 1.597 41 residues pruned to eliminate duplicates Z: 48 35.113 2.132 0.604 0.633 0.872 0.447 CB 1.515 48 residues pruned to eliminate duplicates Z: 34 45.137 2.129 0.932 0.756 0.970 0.636 CB 1.569 34 residues pruned to eliminate duplicates Z: 29 47.824 2.223 1.008 0.794 0.964 0.786 CB 1.622 29 residues pruned to eliminate duplicates Z: 40 45.370 2.213 0.883 0.779 0.846 0.538 CB 1.611 40 residues pruned to eliminate duplicates Z: 96 67.698 2.176 0.832 0.661 0.937 0.642 CB 1.601 96 residues pruned to eliminate duplicates Z: 54 49.226 2.156 0.827 0.682 0.906 0.491 CB 1.603 54 residues pruned to eliminate duplicates Z: 42 44.657 2.166 0.856 0.760 0.854 0.610 CB 1.613 42 residues pruned to eliminate duplicates Z: 84 65.014 2.163 0.887 0.679 0.928 0.699 CB 1.599 84 residues pruned to eliminate duplicates Z: 41 49.774 2.193 0.840 0.775 0.950 0.750 CB 1.610 41 residues pruned to eliminate duplicates Z: 42 51.275 2.183 0.845 0.751 0.976 0.805 CB 1.629 42 residues pruned to eliminate duplicates Z: 14 20.460 2.146 0.590 0.679 0.846 0.385 CB 1.667 14 residues pruned to eliminate duplicates Z: 24 29.846 2.207 0.635 0.639 0.913 0.609 CB 1.659 24 residues pruned to eliminate duplicates Z: 42 49.674 2.177 0.831 0.763 0.951 0.659 CB 1.619 42 residues pruned to eliminate duplicates Z: 84 68.449 2.180 0.874 0.683 0.940 0.651 CB 1.654 84 residues pruned to eliminate duplicates Z: 42 48.536 2.199 0.852 0.748 0.902 0.634 CB 1.652 42 residues pruned to eliminate duplicates Z: 43 50.526 2.148 0.919 0.752 0.952 0.643 CB 1.586 43 residues pruned to eliminate duplicates Z: 54 47.190 2.151 0.755 0.695 0.906 0.679 CB 1.587 54 residues pruned to eliminate duplicates Z: 100 64.556 2.163 0.798 0.646 0.929 0.677 CB 1.567 100 residues pruned to eliminate duplicates Z: 25 22.540 2.099 0.638 0.578 0.792 0.500 CB 1.569 25 residues pruned to eliminate duplicates Z: 53 51.794 2.190 0.800 0.705 0.942 0.635 CB 1.605 53 residues pruned to eliminate duplicates Z: 82 72.226 2.211 0.906 0.705 0.963 0.642 CB 1.640 82 residues pruned to eliminate duplicates Z: 54 52.590 2.150 0.837 0.690 0.962 0.679 CB 1.598 54 residues pruned to eliminate duplicates Z: 47 42.136 2.127 0.890 0.571 0.935 0.652 CB 1.543 47 residues pruned to eliminate duplicates Z: 16 18.249 1.965 0.780 0.535 0.933 0.600 CB 1.394 16 residues pruned to eliminate duplicates Z: 55 52.108 2.164 0.871 0.684 0.944 0.685 CB 1.566 55 residues pruned to eliminate duplicates Z: 13 16.956 2.072 0.756 0.537 0.917 0.750 CB 1.416 13 residues pruned to eliminate duplicates Z: 82 71.288 2.199 0.927 0.687 0.963 0.741 CB 1.635 82 residues pruned to eliminate duplicates Z: 16 15.045 1.991 0.749 0.504 0.867 0.667 CB 1.281 16 residues pruned to eliminate duplicates Z: 113 68.403 2.153 0.814 0.609 0.946 0.696 CB 1.576 113 residues pruned to eliminate duplicates Z: 80 59.885 2.163 0.939 0.583 0.949 0.709 CB 1.562 80 residues pruned to eliminate duplicates Z: 84 69.122 2.182 0.915 0.681 0.964 0.675 CB 1.595 84 residues pruned to eliminate duplicates Z: 55 44.214 2.151 0.811 0.607 0.926 0.611 CB 1.506 55 residues pruned to eliminate duplicates Z: 81 69.353 2.218 0.922 0.689 0.938 0.663 CB 1.632 81 residues pruned to eliminate duplicates Z: 59 37.630 2.053 0.756 0.492 0.914 0.569 CB 1.512 59 residues pruned to eliminate duplicates Z: 31 42.724 2.212 0.936 0.663 0.933 0.767 CB 1.677 31 residues pruned to eliminate duplicates Z: 30 42.297 2.205 1.001 0.663 0.931 0.724 CB 1.643 30 residues pruned to eliminate duplicates Z: 29 53.557 2.238 1.102 0.732 1.000 0.750 CB 1.746 29 residues pruned to eliminate duplicates Z: 44 47.296 2.187 0.980 0.632 0.953 0.674 CB 1.543 44 residues pruned to eliminate duplicates Z: 29 48.135 2.211 1.028 0.736 0.929 0.929 CA 1.769 29 residues pruned to eliminate duplicates Z: 28 53.821 2.285 1.166 0.736 0.963 0.889 CB 1.758 28 residues pruned to eliminate duplicates Z: 27 55.707 2.300 1.162 0.767 1.000 0.885 CB 1.734 27 residues pruned to eliminate duplicates Z: 28 53.071 2.299 1.101 0.743 1.000 0.889 CA 1.701 28 residues pruned to eliminate duplicates Z: 29 46.338 2.199 1.018 0.694 0.964 0.750 CB 1.713 29 residues pruned to eliminate duplicates Z: 31 44.867 2.199 1.052 0.675 0.900 0.767 CB 1.717 31 residues pruned to eliminate duplicates Z: 29 42.868 2.225 0.871 0.695 0.964 0.714 CA 1.689 29 residues pruned to eliminate duplicates Z: 28 51.441 2.275 1.126 0.728 0.963 0.815 CB 1.732 28 residues pruned to eliminate duplicates Z: 28 53.616 2.281 1.154 0.737 0.963 0.889 CB 1.763 28 residues pruned to eliminate duplicates Z: 48 43.720 2.110 0.771 0.648 0.979 0.787 CB 1.519 48 residues pruned to eliminate duplicates Z: 27 52.076 2.306 1.018 0.749 1.000 0.885 CB 1.757 27 residues pruned to eliminate duplicates Z: 44 46.505 2.184 0.877 0.674 0.930 0.791 CB 1.584 44 residues pruned to eliminate duplicates Z: 28 51.501 2.278 1.099 0.740 0.963 0.889 CA 1.737 28 residues pruned to eliminate duplicates Z: 48 46.911 2.114 0.860 0.650 0.979 0.681 CB 1.546 48 residues pruned to eliminate duplicates Z: 28 54.843 2.275 1.136 0.755 1.000 0.741 CB 1.731 28 residues pruned to eliminate duplicates Z: 30 49.761 2.223 1.149 0.691 1.000 0.724 CB 1.624 30 residues pruned to eliminate duplicates Z: 29 49.161 2.241 1.104 0.704 0.964 0.786 CB 1.697 29 residues pruned to eliminate duplicates Z: 54 52.773 2.187 0.952 0.624 0.962 0.660 CB 1.570 54 residues pruned to eliminate duplicates Z: 62 48.581 2.129 0.864 0.586 0.951 0.607 CB 1.518 62 residues pruned to eliminate duplicates Z: 45 54.296 2.187 1.096 0.661 0.977 0.682 CB 1.574 45 residues pruned to eliminate duplicates Z: 50 47.312 2.112 0.874 0.624 0.980 0.694 CB 1.551 50 residues pruned to eliminate duplicates Z: 41 44.288 2.194 0.923 0.629 0.950 0.625 CB 1.548 41 residues pruned to eliminate duplicates Z: 55 51.005 2.186 0.882 0.584 0.963 0.611 CB 1.615 55 residues pruned to eliminate duplicates Z: 20 19.267 1.957 0.743 0.551 0.895 0.684 CB 1.379 20 residues pruned to eliminate duplicates Z: 98 68.772 2.162 0.860 0.652 0.969 0.691 CB 1.555 98 residues pruned to eliminate duplicates Z: 45 53.735 2.190 1.074 0.680 0.977 0.705 CB 1.546 45 residues pruned to eliminate duplicates Z: 48 49.516 2.118 0.987 0.622 1.000 0.681 CB 1.529 48 residues pruned to eliminate duplicates Z: 46 45.209 2.128 0.988 0.587 0.978 0.556 CB 1.499 46 residues pruned to eliminate duplicates Z: 46 46.039 2.157 0.874 0.632 1.000 0.778 CB 1.499 46 residues pruned to eliminate duplicates Z: 45 54.275 2.205 1.023 0.667 0.977 0.727 CB 1.608 45 residues pruned to eliminate duplicates Z: 23 16.924 1.863 0.603 0.542 0.909 0.591 CB 1.276 23 residues pruned to eliminate duplicates Z: 110 69.062 2.146 0.893 0.623 0.936 0.633 CB 1.549 110 residues pruned to eliminate duplicates Z: 45 59.210 2.196 1.123 0.693 1.000 0.705 CB 1.606 45 residues pruned to eliminate duplicates Z: 110 68.741 2.152 0.835 0.643 0.936 0.661 CB 1.559 110 residues pruned to eliminate duplicates Z: 102 71.408 2.172 0.910 0.666 0.941 0.713 CB 1.563 102 residues pruned to eliminate duplicates Z: 108 69.420 2.166 0.828 0.648 0.935 0.645 CB 1.580 108 residues pruned to eliminate duplicates Z: 13 16.942 2.094 0.860 0.467 0.833 0.583 CA 1.558 13 residues pruned to eliminate duplicates Z: 54 54.312 2.173 0.964 0.662 0.943 0.774 CB 1.594 54 residues pruned to eliminate duplicates Z: 54 52.633 2.169 1.025 0.618 0.943 0.623 CB 1.560 54 residues pruned to eliminate duplicates Z: 14 14.495 2.089 0.708 0.417 0.846 0.462 CA 1.452 14 residues pruned to eliminate duplicates Z: 15 12.779 2.042 0.636 0.400 0.857 0.500 CA 1.324 15 residues pruned to eliminate duplicates Z: 14 17.556 2.049 0.848 0.471 0.846 0.538 CA 1.565 14 residues pruned to eliminate duplicates Z: 54 60.361 2.204 1.004 0.673 0.962 0.679 CB 1.662 54 residues pruned to eliminate duplicates Z: 59 58.477 2.189 1.002 0.618 0.948 0.724 CB 1.652 59 residues pruned to eliminate duplicates Z: 58 53.272 2.160 1.005 0.595 0.912 0.649 CB 1.630 58 residues pruned to eliminate duplicates Z: 31 24.378 1.940 0.829 0.472 0.833 0.533 CB 1.548 31 residues pruned to eliminate duplicates Z: 61 49.894 2.102 0.938 0.559 0.933 0.517 CB 1.601 61 residues pruned to eliminate duplicates Z: 63 63.719 2.191 1.023 0.655 0.968 0.726 CB 1.634 63 residues pruned to eliminate duplicates Z: 13 14.470 2.012 0.898 0.434 0.917 0.583 CB 1.278 13 residues pruned to eliminate duplicates Z: 12 19.853 2.088 0.799 0.531 1.000 0.545 CB 1.546 12 residues pruned to eliminate duplicates Z: 12 17.386 2.078 0.656 0.505 1.000 0.545 CB 1.515 12 residues pruned to eliminate duplicates Z: 15 13.144 1.867 0.787 0.479 0.929 0.571 CB 1.158 15 residues pruned to eliminate duplicates Z: 12 16.459 2.141 0.838 0.470 0.909 0.636 CB 1.430 12 residues pruned to eliminate duplicates Z: 11 14.587 1.996 0.938 0.546 0.800 0.800 CB 1.425 11 residues pruned to eliminate duplicates Z: 11 21.861 2.125 1.345 0.557 0.900 0.800 CB 1.459 11 residues pruned to eliminate duplicates Z: 45 41.816 2.073 0.768 0.717 0.932 0.727 CB 1.516 45 residues pruned to eliminate duplicates Z: 16 35.285 2.094 1.256 0.753 0.933 0.867 CB 1.649 16 residues pruned to eliminate duplicates Z: 43 54.757 2.152 1.001 0.775 0.929 0.762 CB 1.657 43 residues pruned to eliminate duplicates Z: 51 54.398 2.162 1.050 0.723 0.900 0.660 CB 1.577 124 residues pruned to eliminate duplicates Z: 43 54.494 2.147 0.988 0.780 0.952 0.690 CB 1.616 Z: 6 4.835 1.746 0.957 0.309 0.800 0.400 CA 0.978 6 residues pruned to eliminate duplicates Z: 49 50.786 2.126 0.845 0.724 0.958 0.688 CB 1.593 43 residues pruned to eliminate duplicates Z: 6 3.403 1.333 0.890 0.241 0.800 0.600 CA 1.019 6 residues pruned to eliminate duplicates Z: 40 51.715 2.202 0.826 0.747 0.974 0.641 CB 1.694 40 residues pruned to eliminate duplicates Z: 41 47.275 2.181 0.705 0.749 0.975 0.725 CB 1.651 41 residues pruned to eliminate duplicates Z: 41 50.121 2.171 0.847 0.742 0.975 0.725 CB 1.632 41 residues pruned to eliminate duplicates Z: 41 47.461 2.168 0.697 0.759 0.975 0.650 CA 1.662 41 residues pruned to eliminate duplicates Z: 14 25.651 2.227 0.711 0.546 1.000 0.692 CA 1.785 14 residues pruned to eliminate duplicates Z: 44 56.106 2.170 0.979 0.690 0.977 0.814 CB 1.714 44 residues pruned to eliminate duplicates Z: 7 3.839 1.797 0.257 0.356 0.833 0.667 CA 0.973 Z: 6 7.361 1.841 0.722 0.390 1.000 0.800 CA 1.167 6 residues pruned to eliminate duplicates Z: 6 4.373 2.030 0.244 0.384 0.600 0.400 CB 1.460 Z: 8 8.724 1.674 0.834 0.463 0.857 0.429 N 1.301 Z: 6 9.677 1.794 0.767 0.481 1.000 0.800 C 1.392 7 residues pruned to eliminate duplicates Z: 18 35.544 2.147 1.026 0.810 1.000 0.765 CB 1.513 Z: 19 32.974 2.115 0.969 0.810 1.000 0.833 CB 1.425 18 residues pruned to eliminate duplicates Z: 17 30.828 2.150 0.819 0.903 1.000 0.750 CB 1.405 17 residues pruned to eliminate duplicates Z: 55 44.280 2.139 0.890 0.557 0.926 0.648 CB 1.523 39 residues pruned to eliminate duplicates Z: 19 31.769 2.083 1.140 0.847 1.000 0.611 CB 1.247 19 residues pruned to eliminate duplicates Z: 43 37.130 2.022 0.996 0.587 0.905 0.667 CB 1.444 43 residues pruned to eliminate duplicates Z: 27 50.660 2.255 1.113 0.756 0.962 0.808 CB 1.726 28 residues pruned to eliminate duplicates Z: 17 33.554 2.147 1.038 0.921 1.000 0.875 CB 1.349 17 residues pruned to eliminate duplicates Z: 53 44.809 2.136 0.915 0.577 0.923 0.596 CB 1.528 53 residues pruned to eliminate duplicates Z: 18 37.719 2.134 1.062 0.931 1.000 0.706 CB 1.452 18 residues pruned to eliminate duplicates Z: 43 46.825 2.209 0.950 0.626 0.952 0.738 CB 1.564 43 residues pruned to eliminate duplicates Z: 19 35.827 2.135 1.207 0.870 0.944 0.611 CB 1.385 19 residues pruned to eliminate duplicates Z: 28 46.183 2.245 1.219 0.681 0.889 0.556 CB 1.699 28 residues pruned to eliminate duplicates Z: 27 52.901 2.258 1.220 0.752 0.962 0.769 CB 1.718 27 residues pruned to eliminate duplicates Z: 53 51.656 2.134 1.073 0.639 0.942 0.673 CB 1.509 54 residues pruned to eliminate duplicates Z: 21 32.602 2.021 1.118 0.815 1.000 0.500 CB 1.295 21 residues pruned to eliminate duplicates Z: 72 54.882 2.130 0.936 0.583 0.944 0.676 CB 1.545 101 residues pruned to eliminate duplicates Z: 15 19.593 1.973 0.982 0.733 0.929 0.143 CB 1.170 15 residues pruned to eliminate duplicates Z: 54 46.341 2.137 0.850 0.586 0.962 0.623 CB 1.541 54 residues pruned to eliminate duplicates Z: 44 42.510 2.181 0.848 0.633 0.953 0.721 CB 1.489 44 residues pruned to eliminate duplicates Z: 52 48.498 2.157 0.979 0.586 0.941 0.647 CB 1.557 52 residues pruned to eliminate duplicates Z: 22 13.203 1.889 0.577 0.482 0.810 0.571 CB 1.217 22 residues pruned to eliminate duplicates Z: 33 16.463 1.809 0.598 0.458 0.906 0.469 CB 1.160 33 residues pruned to eliminate duplicates Z: 21 13.823 1.993 0.402 0.439 0.900 0.500 CB 1.309 21 residues pruned to eliminate duplicates Z: 80 47.039 2.074 0.836 0.531 0.873 0.608 CB 1.543 80 residues pruned to eliminate duplicates Z: 72 51.533 2.124 0.822 0.554 0.958 0.648 CB 1.565 72 residues pruned to eliminate duplicates Z: 82 50.514 2.105 0.735 0.620 0.914 0.593 CB 1.502 54 residues pruned to eliminate duplicates Z: 10 17.112 2.178 0.528 0.716 1.000 0.667 CB 1.410 10 residues pruned to eliminate duplicates Z: 22 17.748 1.999 0.681 0.481 0.905 0.619 CB 1.298 22 residues pruned to eliminate duplicates Z: 43 47.690 2.212 0.917 0.633 0.952 0.762 CB 1.608 43 residues pruned to eliminate duplicates Z: 43 44.201 2.177 0.880 0.627 0.952 0.690 CB 1.552 43 residues pruned to eliminate duplicates Z: 21 16.028 1.955 0.768 0.464 0.900 0.550 CB 1.195 21 residues pruned to eliminate duplicates Z: 43 52.763 2.182 0.854 0.731 0.976 0.690 CB 1.674 43 residues pruned to eliminate duplicates Z: 42 55.597 2.173 0.984 0.751 0.976 0.756 CB 1.650 42 residues pruned to eliminate duplicates Z: 13 21.246 1.994 0.470 0.916 1.000 0.917 CB 1.478 13 residues pruned to eliminate duplicates Z: 40 50.519 2.175 0.785 0.784 1.000 0.641 CB 1.623 40 residues pruned to eliminate duplicates Z: 66 46.647 2.069 0.759 0.615 0.954 0.585 CB 1.495 66 residues pruned to eliminate duplicates Z: 40 49.517 2.188 0.745 0.768 1.000 0.718 CB 1.639 40 residues pruned to eliminate duplicates Z: 53 45.313 2.118 0.832 0.642 0.942 0.712 CB 1.505 161 residues pruned to eliminate duplicates Z: 40 51.798 2.206 0.804 0.787 0.974 0.718 CB 1.661 Z: 26 50.318 2.189 1.051 0.917 0.960 0.640 CB 1.648 25 residues pruned to eliminate duplicates Z: 26 45.464 2.215 0.850 0.903 1.000 0.680 CB 1.582 26 residues pruned to eliminate duplicates Z: 40 61.561 2.233 1.035 0.793 0.974 0.872 CB 1.722 41 residues pruned to eliminate duplicates Z: 26 44.178 2.194 0.797 0.917 1.000 0.720 CB 1.582 26 residues pruned to eliminate duplicates Z: 44 40.461 2.076 0.739 0.654 0.930 0.581 CB 1.591 44 residues pruned to eliminate duplicates Z: 53 48.760 2.123 0.847 0.700 0.942 0.577 CB 1.525 41 residues pruned to eliminate duplicates Z: 26 46.736 2.212 0.906 0.904 0.960 0.760 CB 1.644 26 residues pruned to eliminate duplicates Z: 42 48.165 2.142 0.824 0.745 0.951 0.707 CB 1.626 42 residues pruned to eliminate duplicates Z: 46 43.629 2.115 0.915 0.660 0.911 0.578 CB 1.519 46 residues pruned to eliminate duplicates Z: 67 51.031 2.062 0.930 0.654 0.939 0.682 CB 1.455 119 residues pruned to eliminate duplicates Z: 44 47.982 2.153 0.843 0.708 0.953 0.721 CB 1.600 Z: 10 21.344 2.107 0.912 0.891 0.889 0.778 CB 1.428 13 residues pruned to eliminate duplicates Z: 10 29.027 2.206 0.863 0.868 1.000 0.667 CB 1.721 10 residues pruned to eliminate duplicates Z: 26 51.191 2.210 0.998 0.912 0.960 0.680 CB 1.711 26 residues pruned to eliminate duplicates 335 residues left after pruning, divided into chains as follows: A: 10 B: 15 C: 20 D: 41 E: 194 F: 14 G: 41 CC for partial structure against native data = 31.66 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.443, Connect. = 0.730 for dens.mod. cycle 1 = 0.300, Contrast = 0.506, Connect. = 0.750 for dens.mod. cycle 2 = 0.300, Contrast = 0.586, Connect. = 0.778 for dens.mod. cycle 3 = 0.300, Contrast = 0.590, Connect. = 0.781 for dens.mod. cycle 4 = 0.300, Contrast = 0.599, Connect. = 0.784 for dens.mod. cycle 5 = 0.300, Contrast = 0.602, Connect. = 0.786 for dens.mod. cycle 6 = 0.300, Contrast = 0.607, Connect. = 0.788 for dens.mod. cycle 7 = 0.300, Contrast = 0.608, Connect. = 0.789 for dens.mod. cycle 8 = 0.300, Contrast = 0.611, Connect. = 0.790 for dens.mod. cycle 9 = 0.300, Contrast = 0.612, Connect. = 0.790 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2432 peaks > 0.5 sigma used to seed fragment search Space for about 538 unique residues taking solvent into account 573 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 17 23.236 1.980 0.943 0.644 0.938 0.688 CB 1.408 B: 54 55.735 2.171 0.906 0.707 0.943 0.642 CB 1.624 C: 44 41.045 2.198 0.618 0.739 0.907 0.744 CB 1.566 D: 83 72.936 2.210 0.892 0.712 0.951 0.732 CB 1.670 54 residues pruned to eliminate duplicates E: 21 17.310 1.837 0.620 0.642 0.900 0.600 CB 1.266 F: 18 39.822 2.260 0.945 0.928 1.000 0.706 CB 1.539 18 residues pruned to eliminate duplicates G: 20 33.957 2.195 0.694 0.897 0.895 0.789 CB 1.676 20 residues pruned to eliminate duplicates H: 42 53.995 2.225 0.878 0.785 0.951 0.805 CB 1.651 I: 83 74.819 2.210 0.920 0.691 0.976 0.707 CB 1.677 83 residues pruned to eliminate duplicates J: 27 42.537 2.203 0.837 0.866 0.962 0.692 CB 1.569 28 residues pruned to eliminate duplicates K: 71 51.717 2.222 0.653 0.673 0.929 0.700 CB 1.545 65 residues pruned to eliminate duplicates L: 19 40.895 2.149 1.073 0.912 1.000 0.833 CB 1.533 19 residues pruned to eliminate duplicates M: 14 18.641 2.243 0.783 0.595 0.846 0.538 CB 1.396 12 residues pruned to eliminate duplicates N: 26 36.624 2.216 0.657 0.866 0.960 0.440 CB 1.521 26 residues pruned to eliminate duplicates O: 17 43.204 2.268 1.039 0.921 1.000 0.875 CB 1.644 17 residues pruned to eliminate duplicates P: 27 48.879 2.217 0.900 0.891 1.000 0.769 CB 1.635 27 residues pruned to eliminate duplicates Q: 79 48.024 2.058 0.813 0.577 0.936 0.641 CB 1.446 59 residues pruned to eliminate duplicates R: 14 14.727 1.915 0.794 0.454 1.000 0.615 CB 1.246 S: 19 27.345 2.082 0.545 0.873 0.944 0.778 CB 1.545 19 residues pruned to eliminate duplicates T: 12 18.777 1.857 0.916 0.782 1.000 0.818 CB 1.242 12 residues pruned to eliminate duplicates U: 42 37.284 2.146 0.754 0.607 0.927 0.683 CB 1.508 16 residues pruned to eliminate duplicates V: 29 41.673 2.132 0.812 0.864 0.929 0.357 CB 1.610 29 residues pruned to eliminate duplicates W: 18 33.247 2.268 0.783 0.872 0.941 0.824 CB 1.545 18 residues pruned to eliminate duplicates X: 13 8.689 1.797 0.499 0.383 0.833 0.500 CA 1.265 13 residues pruned to eliminate duplicates Y: 20 34.590 2.194 0.870 0.893 0.895 0.737 CB 1.552 20 residues pruned to eliminate duplicates Z: 42 54.771 2.211 0.853 0.816 0.976 0.756 CB 1.627 42 residues pruned to eliminate duplicates Z: 17 40.676 2.295 0.910 0.884 0.938 0.750 CB 1.787 17 residues pruned to eliminate duplicates Z: 27 39.235 2.242 0.704 0.872 0.923 0.769 CB 1.591 27 residues pruned to eliminate duplicates Z: 10 19.357 2.110 0.390 0.919 1.000 1.000 CB 1.551 10 residues pruned to eliminate duplicates Z: 20 13.752 1.902 0.791 0.270 0.895 0.421 CB 1.344 14 residues pruned to eliminate duplicates Z: 10 12.583 2.069 0.736 0.579 0.778 0.444 CB 1.392 14 residues pruned to eliminate duplicates Z: 17 40.850 2.269 1.119 0.886 0.875 0.562 CB 1.752 17 residues pruned to eliminate duplicates Z: 10 21.212 2.182 0.522 0.870 1.000 0.778 CB 1.555 10 residues pruned to eliminate duplicates Z: 28 46.505 2.263 0.855 0.728 1.000 0.815 CB 1.736 28 residues pruned to eliminate duplicates Z: 27 33.019 2.240 0.359 0.888 0.962 0.731 CB 1.593 27 residues pruned to eliminate duplicates Z: 15 10.034 1.851 0.514 0.340 0.929 0.500 CB 1.226 Z: 23 25.979 2.095 0.797 0.503 0.909 0.545 CB 1.613 24 residues pruned to eliminate duplicates Z: 49 37.403 2.147 0.700 0.625 0.938 0.458 CB 1.403 49 residues pruned to eliminate duplicates Z: 27 39.763 2.151 0.809 0.897 0.885 0.654 CB 1.622 27 residues pruned to eliminate duplicates Z: 25 33.409 2.056 0.838 0.850 0.958 0.500 CB 1.395 25 residues pruned to eliminate duplicates Z: 38 36.649 2.083 0.653 0.790 0.973 0.676 CB 1.394 17 residues pruned to eliminate duplicates Z: 42 51.992 2.210 0.857 0.774 0.951 0.805 CB 1.633 42 residues pruned to eliminate duplicates Z: 35 30.947 2.058 0.591 0.727 0.941 0.794 CB 1.404 35 residues pruned to eliminate duplicates Z: 9 29.913 2.292 0.911 0.915 1.000 0.875 CB 1.706 9 residues pruned to eliminate duplicates Z: 28 32.887 2.163 0.504 0.840 0.889 0.741 CB 1.633 28 residues pruned to eliminate duplicates Z: 15 16.446 1.971 0.997 0.509 0.786 0.571 CB 1.409 15 residues pruned to eliminate duplicates Z: 23 17.491 1.944 0.700 0.588 0.818 0.500 CB 1.268 26 residues pruned to eliminate duplicates Z: 18 29.883 2.225 0.672 0.878 0.882 0.824 CB 1.602 18 residues pruned to eliminate duplicates Z: 18 33.805 2.231 0.856 0.926 0.941 0.824 CB 1.475 18 residues pruned to eliminate duplicates Z: 8 14.603 1.936 0.993 0.529 0.857 0.571 CA 1.621 8 residues pruned to eliminate duplicates Z: 12 11.900 2.007 0.104 0.807 0.818 0.727 CB 1.514 12 residues pruned to eliminate duplicates Z: 42 42.157 2.233 0.543 0.749 0.951 0.732 CB 1.608 42 residues pruned to eliminate duplicates Z: 12 12.603 2.032 0.596 0.449 0.909 0.545 CB 1.358 12 residues pruned to eliminate duplicates Z: 14 15.089 1.908 1.040 0.421 1.000 0.462 CB 1.168 14 residues pruned to eliminate duplicates Z: 27 38.358 2.218 0.695 0.882 0.923 0.654 CB 1.569 27 residues pruned to eliminate duplicates Z: 48 45.281 2.309 0.496 0.719 0.957 0.723 CB 1.639 48 residues pruned to eliminate duplicates Z: 27 46.357 2.160 1.088 0.887 0.923 0.731 CB 1.574 27 residues pruned to eliminate duplicates Z: 27 45.911 2.199 0.795 0.867 0.962 0.769 CB 1.736 27 residues pruned to eliminate duplicates Z: 17 24.512 2.159 0.552 0.927 0.938 0.812 CB 1.367 17 residues pruned to eliminate duplicates Z: 17 42.006 2.277 1.201 0.926 0.938 0.562 CB 1.567 17 residues pruned to eliminate duplicates Z: 55 46.210 2.261 0.655 0.697 0.907 0.630 CB 1.547 55 residues pruned to eliminate duplicates Z: 18 31.991 2.169 0.612 0.919 1.000 1.000 CB 1.564 18 residues pruned to eliminate duplicates Z: 28 34.354 2.173 0.416 0.828 1.000 0.593 CB 1.618 28 residues pruned to eliminate duplicates Z: 19 26.431 2.194 0.340 0.878 0.944 0.833 CB 1.628 19 residues pruned to eliminate duplicates Z: 42 56.023 2.197 0.918 0.795 0.976 0.707 CB 1.644 42 residues pruned to eliminate duplicates Z: 51 38.480 2.175 0.763 0.641 0.900 0.660 CB 1.382 51 residues pruned to eliminate duplicates Z: 26 44.598 2.276 0.771 0.907 1.000 0.560 CB 1.573 26 residues pruned to eliminate duplicates Z: 18 20.011 1.899 1.047 0.505 0.882 0.588 CB 1.408 18 residues pruned to eliminate duplicates Z: 10 16.279 2.152 0.355 0.852 0.889 0.889 CB 1.548 10 residues pruned to eliminate duplicates Z: 26 40.054 2.286 0.495 0.889 1.000 0.520 CB 1.688 26 residues pruned to eliminate duplicates Z: 26 42.465 2.227 0.851 0.862 0.880 0.720 CB 1.719 26 residues pruned to eliminate duplicates Z: 9 24.189 2.218 0.972 0.885 0.875 0.625 CB 1.613 9 residues pruned to eliminate duplicates Z: 53 53.041 2.127 0.871 0.760 0.962 0.673 CB 1.525 41 residues pruned to eliminate duplicates Z: 13 13.745 1.914 0.668 0.438 0.833 0.667 CB 1.590 15 residues pruned to eliminate duplicates Z: 54 43.688 2.251 0.557 0.690 0.906 0.566 CB 1.589 54 residues pruned to eliminate duplicates Z: 27 41.850 2.145 0.808 0.898 0.962 0.615 CB 1.574 27 residues pruned to eliminate duplicates Z: 10 14.121 2.088 0.162 0.777 1.000 0.778 CB 1.520 10 residues pruned to eliminate duplicates Z: 14 27.240 2.147 1.079 0.718 0.923 0.769 CB 1.506 14 residues pruned to eliminate duplicates Z: 22 21.891 1.842 0.726 0.682 0.952 0.762 CB 1.334 22 residues pruned to eliminate duplicates Z: 53 47.194 2.151 0.808 0.704 0.904 0.596 CB 1.547 53 residues pruned to eliminate duplicates Z: 16 36.735 2.299 1.078 0.925 0.933 0.400 CB 1.492 16 residues pruned to eliminate duplicates Z: 11 21.779 2.012 1.016 0.874 0.900 0.600 CA 1.373 11 residues pruned to eliminate duplicates Z: 14 18.212 1.923 0.334 0.898 1.000 0.846 CB 1.408 14 residues pruned to eliminate duplicates Z: 26 43.321 2.293 0.574 0.907 1.000 0.560 CB 1.707 26 residues pruned to eliminate duplicates Z: 26 38.509 2.272 0.618 0.892 0.960 0.520 CB 1.568 26 residues pruned to eliminate duplicates Z: 38 36.158 2.196 0.893 0.578 0.919 0.703 CB 1.443 38 residues pruned to eliminate duplicates Z: 23 22.397 1.935 0.825 0.570 0.955 0.682 CB 1.324 23 residues pruned to eliminate duplicates Z: 55 48.716 2.293 0.566 0.694 0.963 0.630 CB 1.606 55 residues pruned to eliminate duplicates Z: 54 38.440 2.142 0.731 0.632 0.943 0.679 CB 1.333 54 residues pruned to eliminate duplicates Z: 43 28.142 1.915 0.725 0.623 0.881 0.738 CB 1.329 Z: 12 17.327 1.872 0.523 0.771 0.909 0.727 CA 1.587 12 residues pruned to eliminate duplicates Z: 85 60.421 2.183 0.838 0.674 0.964 0.690 CB 1.451 85 residues pruned to eliminate duplicates Z: 11 18.615 2.044 0.431 0.770 1.000 0.600 CA 1.585 11 residues pruned to eliminate duplicates Z: 27 44.124 2.181 0.767 0.907 1.000 0.654 CB 1.596 27 residues pruned to eliminate duplicates Z: 34 26.937 1.961 0.809 0.563 0.909 0.545 CB 1.368 34 residues pruned to eliminate duplicates Z: 16 24.037 1.831 0.740 0.916 1.000 0.933 CB 1.376 16 residues pruned to eliminate duplicates Z: 17 35.097 2.150 0.909 0.934 0.938 0.812 CB 1.590 17 residues pruned to eliminate duplicates Z: 28 37.192 2.109 0.828 0.879 0.926 0.778 CB 1.454 28 residues pruned to eliminate duplicates Z: 27 44.033 2.125 0.881 0.887 1.000 0.769 CB 1.557 27 residues pruned to eliminate duplicates Z: 12 14.600 2.079 0.549 0.665 0.909 0.727 CB 1.292 12 residues pruned to eliminate duplicates Z: 26 42.620 2.227 0.773 0.893 0.920 0.680 CB 1.684 26 residues pruned to eliminate duplicates Z: 41 45.903 2.194 0.655 0.794 0.925 0.675 CA 1.670 41 residues pruned to eliminate duplicates Z: 61 46.250 2.112 0.841 0.579 0.917 0.667 CB 1.552 63 residues pruned to eliminate duplicates Z: 27 35.503 1.967 0.998 0.747 0.962 0.808 CB 1.478 27 residues pruned to eliminate duplicates Z: 28 33.535 2.180 0.588 0.842 0.852 0.593 CB 1.631 28 residues pruned to eliminate duplicates Z: 12 14.940 1.892 0.316 0.774 1.000 0.727 CB 1.421 12 residues pruned to eliminate duplicates Z: 26 33.300 2.022 0.843 0.754 0.960 0.880 CB 1.485 26 residues pruned to eliminate duplicates Z: 14 24.433 1.928 0.995 0.778 0.923 0.846 CB 1.494 15 residues pruned to eliminate duplicates Z: 16 42.748 2.392 1.041 0.925 0.933 0.733 CB 1.700 16 residues pruned to eliminate duplicates Z: 42 43.965 2.230 0.518 0.772 1.000 0.756 CB 1.594 42 residues pruned to eliminate duplicates Z: 26 18.609 1.845 0.670 0.540 0.920 0.560 CB 1.262 25 residues pruned to eliminate duplicates Z: 40 47.098 2.307 0.592 0.792 0.949 0.744 CB 1.674 40 residues pruned to eliminate duplicates Z: 10 24.316 2.139 1.142 0.874 0.889 0.889 CB 1.448 10 residues pruned to eliminate duplicates Z: 80 62.955 2.229 0.755 0.714 0.962 0.684 CB 1.550 80 residues pruned to eliminate duplicates Z: 9 9.005 1.944 0.437 0.516 0.875 0.625 CB 1.282 Z: 64 37.899 1.957 0.705 0.559 0.937 0.698 CB 1.443 107 residues pruned to eliminate duplicates Z: 39 35.462 2.164 0.782 0.651 0.921 0.632 CB 1.407 39 residues pruned to eliminate duplicates Z: 28 35.407 2.130 0.871 0.869 0.852 0.630 CB 1.466 28 residues pruned to eliminate duplicates Z: 47 37.138 2.035 0.643 0.621 0.957 0.739 CB 1.528 47 residues pruned to eliminate duplicates Z: 54 47.622 2.277 0.577 0.712 0.962 0.660 CB 1.561 54 residues pruned to eliminate duplicates Z: 24 30.147 1.976 0.655 0.762 1.000 0.870 CB 1.522 24 residues pruned to eliminate duplicates Z: 18 21.690 1.918 0.544 0.808 1.000 0.647 CB 1.358 18 residues pruned to eliminate duplicates Z: 11 13.587 1.901 0.295 0.914 1.000 1.000 CB 1.234 11 residues pruned to eliminate duplicates Z: 28 43.445 2.136 0.804 0.877 1.000 0.704 CB 1.577 28 residues pruned to eliminate duplicates Z: 28 35.818 2.124 0.628 0.821 0.926 0.556 CB 1.630 28 residues pruned to eliminate duplicates Z: 42 52.730 2.169 0.830 0.809 0.951 0.634 CB 1.665 42 residues pruned to eliminate duplicates Z: 11 18.471 2.005 0.764 0.772 0.900 0.800 CB 1.443 11 residues pruned to eliminate duplicates Z: 26 43.146 2.259 0.803 0.885 0.920 0.520 CB 1.663 26 residues pruned to eliminate duplicates Z: 14 18.986 1.990 0.409 0.942 1.000 1.000 CB 1.302 Z: 10 23.918 2.223 0.808 0.891 0.889 0.778 CB 1.604 10 residues pruned to eliminate duplicates Z: 12 18.634 1.862 0.572 0.847 1.000 0.636 CB 1.425 12 residues pruned to eliminate duplicates Z: 23 25.689 1.898 0.800 0.711 0.955 0.818 CB 1.387 23 residues pruned to eliminate duplicates Z: 27 37.657 2.166 0.700 0.871 0.923 0.538 CB 1.586 27 residues pruned to eliminate duplicates Z: 78 50.964 2.171 0.864 0.631 0.935 0.584 CB 1.358 78 residues pruned to eliminate duplicates Z: 30 26.624 2.132 0.773 0.522 0.862 0.655 CB 1.485 30 residues pruned to eliminate duplicates Z: 8 5.359 1.874 -0.234 0.762 1.000 1.000 CB 1.119 Z: 26 44.811 2.196 0.983 0.901 0.880 0.800 CB 1.669 26 residues pruned to eliminate duplicates Z: 47 39.961 2.042 0.729 0.640 0.935 0.674 CB 1.567 47 residues pruned to eliminate duplicates Z: 14 13.403 1.898 0.508 0.554 1.000 0.769 CB 1.232 Z: 28 41.202 2.174 0.696 0.840 1.000 0.519 CB 1.605 28 residues pruned to eliminate duplicates Z: 58 42.696 2.112 0.721 0.517 0.947 0.579 CB 1.614 58 residues pruned to eliminate duplicates Z: 14 18.308 2.254 0.666 0.519 0.846 0.846 CB 1.568 14 residues pruned to eliminate duplicates Z: 17 34.621 2.184 0.848 0.910 0.938 0.750 CB 1.623 17 residues pruned to eliminate duplicates Z: 26 38.187 2.239 0.529 0.874 0.960 0.680 CB 1.690 26 residues pruned to eliminate duplicates Z: 53 54.739 2.218 0.921 0.725 0.904 0.596 CB 1.608 53 residues pruned to eliminate duplicates Z: 28 36.676 2.145 0.608 0.835 0.926 0.704 CB 1.655 28 residues pruned to eliminate duplicates Z: 51 35.266 2.105 0.747 0.612 0.900 0.540 CB 1.354 51 residues pruned to eliminate duplicates Z: 41 48.422 2.160 0.884 0.793 0.900 0.675 CB 1.616 41 residues pruned to eliminate duplicates Z: 41 52.480 2.203 0.753 0.792 1.000 0.800 CB 1.663 41 residues pruned to eliminate duplicates Z: 24 23.565 2.008 0.618 0.877 0.870 0.696 CB 1.263 24 residues pruned to eliminate duplicates Z: 26 37.507 2.261 0.591 0.909 0.920 0.520 CB 1.609 26 residues pruned to eliminate duplicates Z: 12 11.147 1.761 0.688 0.825 1.000 0.727 CB 0.853 12 residues pruned to eliminate duplicates Z: 27 41.249 2.167 0.651 0.920 1.000 0.692 CB 1.593 27 residues pruned to eliminate duplicates Z: 38 27.310 2.185 0.657 0.522 0.892 0.541 CB 1.361 38 residues pruned to eliminate duplicates Z: 13 17.336 1.948 0.566 0.903 1.000 0.750 CB 1.170 13 residues pruned to eliminate duplicates Z: 26 28.313 2.225 0.566 0.846 0.760 0.600 CB 1.588 26 residues pruned to eliminate duplicates Z: 20 24.258 1.927 0.999 0.643 0.895 0.684 CA 1.413 20 residues pruned to eliminate duplicates Z: 12 18.260 1.984 0.639 0.826 1.000 0.636 CB 1.276 12 residues pruned to eliminate duplicates Z: 16 42.393 2.289 1.059 0.928 0.933 0.733 CB 1.742 16 residues pruned to eliminate duplicates Z: 14 12.959 1.644 0.364 0.943 1.000 1.000 CB 1.111 14 residues pruned to eliminate duplicates Z: 28 39.528 2.128 0.732 0.889 0.889 0.593 CA 1.672 28 residues pruned to eliminate duplicates Z: 13 14.922 1.713 0.529 0.903 1.000 0.833 CB 1.173 13 residues pruned to eliminate duplicates Z: 18 21.300 1.955 0.539 0.875 0.941 0.824 CB 1.327 18 residues pruned to eliminate duplicates Z: 27 45.279 2.164 0.851 0.912 1.000 0.923 CB 1.570 27 residues pruned to eliminate duplicates Z: 14 30.147 2.205 1.039 0.735 1.000 0.692 CB 1.506 14 residues pruned to eliminate duplicates Z: 17 18.911 1.875 0.577 0.888 1.000 0.750 CB 1.152 16 residues pruned to eliminate duplicates Z: 38 33.551 2.102 0.610 0.776 0.892 0.541 CB 1.433 38 residues pruned to eliminate duplicates Z: 12 9.967 1.786 0.952 0.500 0.818 0.545 CB 1.053 Z: 55 45.543 2.272 0.584 0.687 0.944 0.704 CB 1.537 55 residues pruned to eliminate duplicates Z: 12 21.130 1.926 0.728 0.775 1.000 0.636 C 1.501 12 residues pruned to eliminate duplicates Z: 11 15.311 2.081 0.283 0.861 1.000 0.800 CB 1.333 11 residues pruned to eliminate duplicates Z: 31 35.643 2.058 0.915 0.607 0.967 0.800 CA 1.543 31 residues pruned to eliminate duplicates Z: 83 68.788 2.217 0.854 0.688 0.951 0.695 CB 1.636 83 residues pruned to eliminate duplicates Z: 28 34.870 2.154 0.745 0.839 0.852 0.630 CB 1.565 28 residues pruned to eliminate duplicates Z: 27 26.097 1.908 0.741 0.698 0.962 0.923 CB 1.338 27 residues pruned to eliminate duplicates Z: 7 4.154 1.879 0.210 0.512 0.833 0.500 CB 0.884 Z: 20 26.513 2.025 0.757 0.691 1.000 0.842 CB 1.435 20 residues pruned to eliminate duplicates Z: 10 26.618 2.123 0.855 0.901 1.000 0.889 CB 1.608 10 residues pruned to eliminate duplicates Z: 43 48.634 2.174 0.926 0.616 0.952 0.667 CB 1.686 46 residues pruned to eliminate duplicates Z: 16 6.667 1.667 0.739 0.262 0.667 0.333 CB 1.169 16 residues pruned to eliminate duplicates Z: 26 34.861 1.965 0.888 0.741 1.000 0.880 CB 1.515 15 residues pruned to eliminate duplicates Z: 20 13.475 1.780 0.546 0.541 0.947 0.684 CB 1.139 13 residues pruned to eliminate duplicates Z: 11 14.503 2.044 0.716 0.520 1.000 0.700 CB 1.282 11 residues pruned to eliminate duplicates Z: 29 51.523 2.280 0.985 0.733 0.964 0.750 CB 1.810 29 residues pruned to eliminate duplicates Z: 25 22.615 2.020 0.449 0.853 0.875 0.583 CB 1.333 25 residues pruned to eliminate duplicates Z: 43 35.565 2.233 0.450 0.682 0.929 0.667 CB 1.544 43 residues pruned to eliminate duplicates Z: 31 37.854 2.105 0.953 0.747 0.900 0.867 CB 1.497 31 residues pruned to eliminate duplicates Z: 26 37.474 2.209 0.679 0.890 0.960 0.680 CB 1.515 26 residues pruned to eliminate duplicates Z: 16 22.856 1.984 0.590 0.908 1.000 0.933 CB 1.328 16 residues pruned to eliminate duplicates Z: 27 32.715 1.972 0.950 0.762 0.923 0.731 CB 1.432 27 residues pruned to eliminate duplicates Z: 26 18.990 1.824 0.823 0.545 0.960 0.600 CB 1.138 11 residues pruned to eliminate duplicates Z: 10 24.396 2.162 0.923 0.878 1.000 0.778 CB 1.419 10 residues pruned to eliminate duplicates Z: 15 20.877 1.925 0.809 0.922 1.000 0.929 CB 1.126 15 residues pruned to eliminate duplicates Z: 17 19.286 1.954 0.548 0.939 1.000 0.812 CB 1.107 17 residues pruned to eliminate duplicates Z: 28 22.801 2.177 0.698 0.498 0.889 0.519 CB 1.338 28 residues pruned to eliminate duplicates Z: 27 33.175 1.991 0.869 0.750 0.962 0.885 CB 1.454 26 residues pruned to eliminate duplicates Z: 26 43.289 2.236 0.653 0.887 1.000 0.600 CB 1.689 26 residues pruned to eliminate duplicates Z: 18 28.665 2.130 0.608 0.910 0.941 0.882 CB 1.530 18 residues pruned to eliminate duplicates Z: 6 3.848 1.696 0.101 0.624 0.800 0.800 CB 1.025 7 residues pruned to eliminate duplicates Z: 25 27.350 2.032 0.781 0.837 0.958 0.708 CB 1.204 25 residues pruned to eliminate duplicates Z: 8 6.664 1.708 0.384 0.480 0.857 0.571 CB 1.269 Z: 18 42.277 2.206 1.224 0.934 0.941 0.647 CB 1.549 18 residues pruned to eliminate duplicates Z: 14 24.647 1.982 0.693 0.915 1.000 0.923 CB 1.440 14 residues pruned to eliminate duplicates Z: 15 21.366 1.911 0.743 0.930 1.000 0.714 CB 1.199 15 residues pruned to eliminate duplicates Z: 17 18.374 1.930 0.721 0.912 0.938 0.750 CB 1.044 17 residues pruned to eliminate duplicates Z: 16 29.703 2.312 0.588 0.915 0.933 0.933 CB 1.582 16 residues pruned to eliminate duplicates Z: 67 45.043 1.985 0.825 0.569 0.955 0.818 CB 1.499 156 residues pruned to eliminate duplicates Z: 10 11.690 1.861 0.642 0.885 1.000 1.000 CB 0.921 10 residues pruned to eliminate duplicates Z: 11 24.435 2.074 0.660 0.869 1.000 1.000 CB 1.640 Z: 13 12.563 1.790 0.917 0.514 0.917 0.667 CB 1.137 Z: 26 38.822 2.208 0.685 0.887 0.960 0.720 CB 1.567 11 residues pruned to eliminate duplicates Z: 6 4.256 2.016 -0.384 0.696 1.000 1.000 CB 1.282 6 residues pruned to eliminate duplicates Z: 57 52.398 2.103 0.931 0.625 0.982 0.589 CB 1.560 45 residues pruned to eliminate duplicates Z: 43 49.954 2.267 0.977 0.650 0.929 0.738 CB 1.611 43 residues pruned to eliminate duplicates Z: 27 37.311 2.188 0.522 0.895 1.000 0.808 CB 1.575 27 residues pruned to eliminate duplicates Z: 28 29.860 2.137 0.432 0.850 0.926 0.741 CB 1.502 28 residues pruned to eliminate duplicates Z: 9 25.219 2.167 1.007 0.840 1.000 0.750 CB 1.530 9 residues pruned to eliminate duplicates Z: 6 4.667 1.695 0.044 0.668 0.800 0.800 CB 1.262 Z: 12 17.791 1.894 0.602 0.766 0.909 0.818 CB 1.535 12 residues pruned to eliminate duplicates Z: 21 24.860 1.918 0.579 0.891 1.000 0.650 CB 1.319 21 residues pruned to eliminate duplicates Z: 50 49.276 2.154 0.895 0.653 0.959 0.571 CB 1.559 50 residues pruned to eliminate duplicates Z: 16 36.779 2.247 0.885 0.905 0.933 0.867 CB 1.710 16 residues pruned to eliminate duplicates Z: 31 41.594 2.161 0.898 0.781 0.967 0.767 CB 1.495 31 residues pruned to eliminate duplicates Z: 17 31.845 2.197 0.560 0.909 1.000 0.938 CB 1.648 17 residues pruned to eliminate duplicates Z: 39 36.680 2.095 0.656 0.786 0.974 0.632 CB 1.370 39 residues pruned to eliminate duplicates Z: 23 24.943 1.892 0.834 0.666 0.909 0.727 CB 1.446 23 residues pruned to eliminate duplicates Z: 19 34.426 2.276 1.062 0.848 0.889 0.556 CB 1.443 19 residues pruned to eliminate duplicates Z: 41 38.407 2.181 0.790 0.627 0.975 0.750 CB 1.416 41 residues pruned to eliminate duplicates Z: 26 36.049 2.236 0.552 0.907 0.960 0.520 CB 1.537 26 residues pruned to eliminate duplicates Z: 26 30.981 2.176 0.485 0.866 0.920 0.680 CB 1.526 26 residues pruned to eliminate duplicates Z: 28 30.352 2.137 0.659 0.844 0.815 0.370 CB 1.505 28 residues pruned to eliminate duplicates Z: 16 15.120 2.047 0.499 0.466 0.867 0.600 CB 1.519 16 residues pruned to eliminate duplicates Z: 26 23.917 2.002 0.470 0.885 0.960 0.680 CB 1.222 26 residues pruned to eliminate duplicates Z: 26 26.013 2.028 0.619 0.864 0.920 0.640 CB 1.263 26 residues pruned to eliminate duplicates Z: 25 15.877 1.836 0.734 0.754 0.833 0.458 CB 0.975 25 residues pruned to eliminate duplicates Z: 51 47.222 2.149 0.874 0.590 0.940 0.580 CB 1.619 51 residues pruned to eliminate duplicates Z: 17 27.756 1.938 1.162 0.895 1.000 0.500 CB 1.187 2 residues pruned to eliminate duplicates Z: 11 17.720 1.732 1.146 0.750 1.000 1.000 CB 1.205 Z: 27 36.549 2.043 0.968 0.876 0.885 0.577 CB 1.464 27 residues pruned to eliminate duplicates Z: 11 9.985 1.787 0.762 0.779 0.800 0.600 CB 0.980 11 residues pruned to eliminate duplicates Z: 11 10.959 1.802 0.466 0.721 0.900 0.600 CB 1.194 11 residues pruned to eliminate duplicates Z: 17 26.981 2.275 0.674 0.909 0.875 0.562 CB 1.436 17 residues pruned to eliminate duplicates Z: 17 24.353 1.934 0.910 0.915 1.000 0.562 CB 1.165 17 residues pruned to eliminate duplicates Z: 16 23.575 1.888 0.966 0.873 1.000 0.733 CB 1.195 16 residues pruned to eliminate duplicates Z: 28 40.775 2.096 0.807 0.862 1.000 0.630 CB 1.521 27 residues pruned to eliminate duplicates Z: 15 22.218 2.162 0.814 0.640 0.857 0.643 CB 1.549 15 residues pruned to eliminate duplicates Z: 51 35.902 2.080 0.634 0.676 0.920 0.640 CB 1.381 51 residues pruned to eliminate duplicates Z: 26 35.822 1.989 0.955 0.772 0.960 0.920 CB 1.508 15 residues pruned to eliminate duplicates Z: 11 14.219 1.944 0.777 0.792 0.900 0.700 CB 1.119 11 residues pruned to eliminate duplicates Z: 17 17.329 1.946 0.899 0.478 0.875 0.625 CB 1.370 19 residues pruned to eliminate duplicates Z: 46 46.285 2.100 0.892 0.687 0.956 0.578 CB 1.532 46 residues pruned to eliminate duplicates Z: 24 26.778 2.010 0.561 0.908 1.000 0.565 CB 1.264 24 residues pruned to eliminate duplicates Z: 18 31.968 2.125 0.986 0.864 0.882 0.706 CB 1.527 18 residues pruned to eliminate duplicates Z: 11 13.941 2.030 0.655 0.602 0.800 0.500 CB 1.488 11 residues pruned to eliminate duplicates Z: 31 36.247 2.113 0.890 0.749 0.900 0.733 CB 1.475 31 residues pruned to eliminate duplicates Z: 11 9.588 1.791 0.914 0.467 0.900 0.800 CA 1.016 Z: 7 3.797 1.788 -0.198 0.657 1.000 0.667 CB 0.933 6 residues pruned to eliminate duplicates Z: 12 11.727 1.650 0.290 0.894 1.000 0.909 CB 1.192 12 residues pruned to eliminate duplicates Z: 16 20.963 1.949 0.640 0.872 1.000 0.800 CB 1.234 16 residues pruned to eliminate duplicates Z: 7 7.469 1.966 0.496 0.826 1.000 0.833 CB 0.781 7 residues pruned to eliminate duplicates Z: 39 34.232 2.112 0.517 0.775 0.974 0.684 CB 1.397 39 residues pruned to eliminate duplicates Z: 43 49.090 2.213 0.858 0.754 0.929 0.833 CB 1.581 29 residues pruned to eliminate duplicates Z: 102 69.061 2.151 0.901 0.655 0.931 0.673 CB 1.563 102 residues pruned to eliminate duplicates Z: 16 13.291 1.966 0.185 0.860 0.933 0.867 CB 1.161 16 residues pruned to eliminate duplicates Z: 11 14.617 1.858 0.586 0.779 1.000 0.400 CB 1.227 11 residues pruned to eliminate duplicates Z: 27 24.314 1.904 0.675 0.826 0.923 0.538 CB 1.221 27 residues pruned to eliminate duplicates Z: 10 3.763 1.584 -0.074 0.466 1.000 0.667 CB 0.885 9 residues pruned to eliminate duplicates Z: 25 20.086 1.849 0.484 0.889 1.000 0.792 CB 1.075 25 residues pruned to eliminate duplicates Z: 6 3.518 1.459 0.679 0.452 0.800 0.400 CB 0.844 Z: 26 27.077 2.007 0.580 0.887 0.960 0.640 CB 1.283 26 residues pruned to eliminate duplicates Z: 27 37.918 2.228 0.704 0.894 0.923 0.654 CB 1.521 27 residues pruned to eliminate duplicates Z: 10 12.359 1.915 0.460 0.719 1.000 0.667 CB 1.209 10 residues pruned to eliminate duplicates Z: 17 16.275 1.898 0.697 0.566 0.875 0.625 CB 1.354 17 residues pruned to eliminate duplicates Z: 26 34.780 2.052 0.845 0.772 0.960 0.920 CB 1.505 27 residues pruned to eliminate duplicates Z: 12 8.910 1.671 0.842 0.393 0.818 0.455 CB 1.195 12 residues pruned to eliminate duplicates Z: 29 44.132 2.209 0.910 0.813 0.964 0.857 CB 1.561 29 residues pruned to eliminate duplicates Z: 6 2.717 1.546 0.735 0.297 0.600 0.400 N 0.947 Z: 106 80.675 2.221 0.972 0.662 0.943 0.629 CB 1.641 117 residues pruned to eliminate duplicates Z: 14 17.428 1.933 0.459 0.912 0.923 0.923 CB 1.315 14 residues pruned to eliminate duplicates Z: 7 4.487 1.877 -0.001 0.505 0.833 0.500 CB 1.167 6 residues pruned to eliminate duplicates Z: 42 28.990 1.990 0.708 0.542 0.927 0.659 CB 1.380 42 residues pruned to eliminate duplicates Z: 6 5.286 1.735 0.309 0.731 1.000 0.800 N 0.846 Z: 27 33.995 2.208 0.437 0.872 0.923 0.654 CB 1.660 27 residues pruned to eliminate duplicates Z: 6 3.003 1.682 0.550 0.508 0.600 0.600 CB 0.852 6 residues pruned to eliminate duplicates Z: 10 14.348 2.245 0.272 0.571 1.000 0.667 CB 1.563 10 residues pruned to eliminate duplicates Z: 31 26.368 2.031 0.613 0.506 0.967 0.667 CB 1.512 31 residues pruned to eliminate duplicates Z: 26 24.300 1.991 0.444 0.884 1.000 0.760 CB 1.222 26 residues pruned to eliminate duplicates Z: 17 32.082 2.195 0.606 0.916 0.938 0.875 CB 1.714 17 residues pruned to eliminate duplicates Z: 17 10.603 1.568 0.438 0.679 0.938 0.625 CB 1.064 Z: 7 5.129 1.979 0.426 0.405 0.833 0.500 CB 0.984 Z: 21 29.615 1.990 0.660 0.836 0.950 0.750 CB 1.580 21 residues pruned to eliminate duplicates Z: 33 39.538 2.125 0.889 0.733 0.969 0.750 CB 1.458 33 residues pruned to eliminate duplicates Z: 28 42.327 2.106 0.715 0.921 1.000 0.704 CB 1.587 27 residues pruned to eliminate duplicates Z: 22 11.866 1.719 0.643 0.453 0.857 0.619 CB 1.122 22 residues pruned to eliminate duplicates Z: 17 27.304 2.137 0.833 0.887 0.938 0.438 CB 1.340 17 residues pruned to eliminate duplicates Z: 31 19.516 2.164 0.516 0.492 0.833 0.467 CB 1.314 31 residues pruned to eliminate duplicates Z: 8 7.923 1.871 0.313 0.488 1.000 0.571 CB 1.234 7 residues pruned to eliminate duplicates Z: 28 45.089 2.101 0.894 0.896 0.963 0.852 CB 1.622 28 residues pruned to eliminate duplicates Z: 27 22.062 1.847 0.986 0.567 0.962 0.731 CB 1.150 28 residues pruned to eliminate duplicates Z: 15 20.788 1.967 0.734 0.922 1.000 0.857 CB 1.146 15 residues pruned to eliminate duplicates Z: 10 11.658 1.903 0.334 0.726 1.000 0.667 CB 1.248 10 residues pruned to eliminate duplicates Z: 11 8.164 1.674 0.525 0.624 1.000 0.800 CB 0.900 6 residues pruned to eliminate duplicates Z: 14 24.292 1.882 1.145 0.892 1.000 0.385 CB 1.199 14 residues pruned to eliminate duplicates Z: 18 42.330 2.226 1.170 0.922 1.000 0.824 CB 1.495 18 residues pruned to eliminate duplicates Z: 10 10.537 1.923 0.327 0.705 0.889 0.778 CB 1.285 10 residues pruned to eliminate duplicates Z: 17 7.908 1.714 0.445 0.522 0.938 0.562 CB 0.834 17 residues pruned to eliminate duplicates Z: 14 10.634 2.022 0.348 0.433 0.846 0.538 CB 1.371 14 residues pruned to eliminate duplicates Z: 9 7.419 1.831 0.101 0.786 0.875 0.625 CB 1.157 9 residues pruned to eliminate duplicates Z: 52 33.872 1.912 0.828 0.616 0.961 0.647 CB 1.265 52 residues pruned to eliminate duplicates Z: 8 13.422 1.863 1.083 0.529 1.000 0.571 CB 1.271 Z: 12 18.850 1.915 0.644 0.801 0.909 0.545 C 1.526 12 residues pruned to eliminate duplicates Z: 30 41.946 2.172 0.928 0.790 0.966 0.862 CB 1.494 30 residues pruned to eliminate duplicates Z: 28 33.475 2.129 0.588 0.827 0.926 0.741 CB 1.551 28 residues pruned to eliminate duplicates Z: 6 4.134 1.663 -0.138 0.592 0.800 0.400 O 1.476 4 residues pruned to eliminate duplicates Z: 9 11.547 1.493 0.596 0.857 1.000 0.875 C 1.263 9 residues pruned to eliminate duplicates Z: 14 24.410 2.102 0.977 0.756 0.923 0.769 CB 1.405 14 residues pruned to eliminate duplicates Z: 15 18.574 1.916 0.871 0.574 0.929 0.643 CB 1.388 14 residues pruned to eliminate duplicates Z: 13 12.584 1.872 0.672 0.748 0.750 0.583 CB 1.240 13 residues pruned to eliminate duplicates Z: 14 24.651 1.943 0.924 0.930 0.923 0.769 CB 1.386 14 residues pruned to eliminate duplicates Z: 6 4.423 1.281 0.694 0.625 0.800 0.600 CA 1.012 Z: 30 33.427 2.064 0.727 0.749 1.000 0.793 CB 1.394 30 residues pruned to eliminate duplicates Z: 54 41.939 2.083 0.717 0.723 0.887 0.698 CB 1.485 54 residues pruned to eliminate duplicates Z: 41 34.562 2.121 0.734 0.605 0.950 0.650 CB 1.416 41 residues pruned to eliminate duplicates Z: 8 3.847 1.623 0.241 0.460 0.857 0.857 CB 0.878 Z: 27 32.531 2.142 0.656 0.856 0.846 0.615 CB 1.567 27 residues pruned to eliminate duplicates Z: 15 18.524 2.027 0.385 0.922 1.000 0.929 CB 1.240 15 residues pruned to eliminate duplicates Z: 11 14.003 1.827 0.706 0.755 1.000 0.500 CB 1.132 11 residues pruned to eliminate duplicates Z: 16 22.083 1.810 1.015 0.921 0.933 0.333 CB 1.179 16 residues pruned to eliminate duplicates Z: 7 8.486 1.901 0.789 0.372 1.000 0.667 CB 1.169 7 residues pruned to eliminate duplicates Z: 25 26.867 2.021 0.523 0.892 0.958 0.708 CB 1.336 25 residues pruned to eliminate duplicates Z: 14 13.810 1.617 0.623 0.914 1.000 0.923 CB 1.032 14 residues pruned to eliminate duplicates Z: 40 59.577 2.233 1.017 0.821 0.974 0.846 CB 1.646 40 residues pruned to eliminate duplicates Z: 55 40.063 2.107 0.807 0.640 0.907 0.648 CB 1.384 55 residues pruned to eliminate duplicates Z: 11 17.904 1.883 0.776 0.610 1.000 0.700 CA 1.524 11 residues pruned to eliminate duplicates Z: 6 2.916 1.772 0.297 0.219 0.600 0.400 CA 1.314 6 residues pruned to eliminate duplicates Z: 11 18.170 2.157 0.766 0.609 0.900 0.600 CB 1.511 11 residues pruned to eliminate duplicates Z: 11 4.262 1.634 0.330 0.219 0.700 0.400 CB 1.231 Z: 13 16.830 2.095 0.737 0.474 0.917 0.750 CA 1.496 14 residues pruned to eliminate duplicates Z: 30 26.954 2.054 0.732 0.519 0.897 0.724 CB 1.541 31 residues pruned to eliminate duplicates Z: 13 13.131 1.588 0.513 0.914 1.000 0.917 CB 1.115 30 residues pruned to eliminate duplicates 6 1.766 1.409 -0.047 0.531 0.800 0.800 CB 0.713 ? Z: 91 60.223 2.131 0.886 0.624 0.911 0.644 CB 1.542 91 residues pruned to eliminate duplicates Z: 26 35.246 2.175 0.569 0.905 0.920 0.840 CB 1.598 26 residues pruned to eliminate duplicates Z: 7 2.836 1.635 0.078 0.232 1.000 0.333 CB 0.898 Z: 9 9.323 1.960 0.106 0.800 0.875 0.625 CB 1.336 9 residues pruned to eliminate duplicates Z: 16 21.842 1.821 0.745 0.922 1.000 0.800 CB 1.248 16 residues pruned to eliminate duplicates Z: 11 13.348 1.833 0.524 0.861 0.900 0.900 CB 1.233 11 residues pruned to eliminate duplicates Z: 27 40.566 2.216 0.665 0.883 0.923 0.500 CB 1.690 27 residues pruned to eliminate duplicates Z: 16 11.060 1.775 0.659 0.583 0.867 0.667 CB 1.033 16 residues pruned to eliminate duplicates Z: 7 4.300 1.643 0.571 0.503 0.833 0.500 N 0.813 Z: 25 41.332 2.194 0.877 0.868 1.000 0.625 CB 1.497 25 residues pruned to eliminate duplicates Z: 8 9.709 1.878 0.372 0.539 1.000 0.857 CB 1.370 9 residues pruned to eliminate duplicates Z: 13 11.663 1.850 0.255 0.783 0.750 0.667 CB 1.507 13 residues pruned to eliminate duplicates Z: 12 22.122 1.990 0.647 0.760 1.000 0.455 CB 1.615 12 residues pruned to eliminate duplicates Z: 6 3.428 1.804 0.099 0.550 0.800 0.600 CB 0.920 6 residues pruned to eliminate duplicates Z: 17 18.240 1.899 0.556 0.898 0.938 0.625 CB 1.178 17 residues pruned to eliminate duplicates Z: 81 48.037 2.060 0.719 0.580 0.925 0.637 CB 1.519 81 residues pruned to eliminate duplicates Z: 6 3.052 1.718 -0.198 0.792 1.000 1.000 CB 0.767 Z: 16 21.595 1.845 0.783 0.903 0.933 0.733 CB 1.294 16 residues pruned to eliminate duplicates Z: 28 38.437 2.141 0.642 0.906 1.000 0.667 CB 1.497 28 residues pruned to eliminate duplicates Z: 27 38.929 2.150 0.665 0.921 0.962 0.692 CB 1.562 27 residues pruned to eliminate duplicates Z: 12 16.315 1.988 0.338 0.748 1.000 0.545 CB 1.482 12 residues pruned to eliminate duplicates Z: 17 13.444 1.831 1.108 0.398 0.812 0.562 CB 1.193 17 residues pruned to eliminate duplicates Z: 17 17.310 1.903 0.546 0.914 1.000 0.750 CB 1.040 17 residues pruned to eliminate duplicates Z: 25 20.552 1.863 1.039 0.549 0.875 0.583 CB 1.203 27 residues pruned to eliminate duplicates Z: 6 5.055 1.673 0.276 0.559 0.800 0.600 CB 1.250 Z: 20 21.963 2.025 0.877 0.549 0.842 0.632 CB 1.501 35 residues pruned to eliminate duplicates Z: 29 51.645 2.241 1.087 0.719 0.964 0.714 CB 1.775 29 residues pruned to eliminate duplicates Z: 8 4.202 1.628 0.244 0.435 0.714 0.429 CB 1.174 Z: 7 5.133 2.061 -0.253 0.856 1.000 1.000 CB 1.004 7 residues pruned to eliminate duplicates Z: 6 6.094 1.847 -0.088 0.885 1.000 1.000 CB 1.168 6 residues pruned to eliminate duplicates Z: 11 22.207 2.390 0.623 0.745 1.000 0.900 CB 1.454 11 residues pruned to eliminate duplicates Z: 7 6.415 1.818 0.210 0.389 1.000 0.667 CA 1.339 7 residues pruned to eliminate duplicates Z: 8 7.869 1.601 1.049 0.509 0.857 0.714 CA 1.048 8 residues pruned to eliminate duplicates Z: 13 12.625 1.890 0.615 0.379 0.917 0.417 CB 1.483 13 residues pruned to eliminate duplicates Z: 6 3.320 1.393 0.882 0.406 0.800 0.800 CB 0.781 6 residues pruned to eliminate duplicates Z: 9 3.995 1.553 0.464 0.199 0.750 0.500 CB 1.185 8 residues pruned to eliminate duplicates Z: 14 24.310 1.971 0.947 0.915 0.923 0.769 CB 1.345 14 residues pruned to eliminate duplicates Z: 11 10.170 2.010 0.110 0.733 0.800 0.500 CB 1.462 11 residues pruned to eliminate duplicates Z: 39 52.730 2.264 0.945 0.687 0.974 0.789 CB 1.681 39 residues pruned to eliminate duplicates Z: 11 15.000 1.915 0.510 0.779 1.000 0.700 CB 1.283 11 residues pruned to eliminate duplicates Z: 26 38.464 2.175 0.634 0.903 0.960 0.640 CB 1.607 26 residues pruned to eliminate duplicates Z: 19 21.683 1.993 0.471 0.860 0.944 0.667 CB 1.358 19 residues pruned to eliminate duplicates Z: 21 21.891 2.053 0.614 0.544 0.900 0.600 CB 1.573 21 residues pruned to eliminate duplicates Z: 118 72.975 2.149 0.813 0.634 0.940 0.735 CB 1.624 118 residues pruned to eliminate duplicates Z: 11 15.941 2.011 0.872 0.493 0.900 0.600 CB 1.499 11 residues pruned to eliminate duplicates Z: 13 11.602 1.844 0.163 0.880 0.917 0.750 CB 1.235 13 residues pruned to eliminate duplicates 7 1.867 1.204 0.152 0.318 0.833 0.333 CB 0.806 ? Z: 27 32.944 2.212 0.484 0.882 0.923 0.769 CB 1.544 27 residues pruned to eliminate duplicates Z: 28 31.180 2.174 0.611 0.615 1.000 0.667 CB 1.537 28 residues pruned to eliminate duplicates Z: 7 2.427 1.461 0.016 0.409 0.667 0.500 CB 1.101 Z: 10 5.211 1.624 0.539 0.412 0.778 0.444 CB 0.979 Z: 20 17.926 1.995 0.225 0.656 1.000 0.842 CB 1.457 20 residues pruned to eliminate duplicates Z: 12 17.213 1.885 0.374 0.904 1.000 1.000 CA 1.428 12 residues pruned to eliminate duplicates Z: 6 5.387 1.539 0.382 0.763 1.000 0.800 CA 0.897 5 residues pruned to eliminate duplicates Z: 15 10.645 1.861 0.802 0.282 0.857 0.429 CB 1.266 15 residues pruned to eliminate duplicates Z: 39 31.163 2.061 0.552 0.783 0.921 0.684 CB 1.337 39 residues pruned to eliminate duplicates Z: 20 26.620 2.316 0.289 0.695 1.000 0.895 CB 1.712 20 residues pruned to eliminate duplicates Z: 17 4.888 1.601 0.317 0.379 0.688 0.438 CB 0.958 17 residues pruned to eliminate duplicates Z: 33 30.296 1.914 0.722 0.733 1.000 0.719 CB 1.318 33 residues pruned to eliminate duplicates Z: 18 26.458 2.177 0.466 0.922 1.000 0.941 CB 1.414 18 residues pruned to eliminate duplicates Z: 16 35.512 2.127 0.940 0.895 1.000 0.667 CA 1.593 16 residues pruned to eliminate duplicates Z: 8 2.206 1.510 0.419 0.374 0.714 0.429 C 0.624 Z: 25 24.215 1.976 0.719 0.858 0.958 0.667 CB 1.119 25 residues pruned to eliminate duplicates Z: 14 14.606 1.630 0.604 0.921 1.000 0.538 CB 1.090 14 residues pruned to eliminate duplicates Z: 10 10.069 1.811 0.678 0.602 0.889 0.556 CB 1.128 10 residues pruned to eliminate duplicates Z: 14 14.432 1.640 0.585 0.930 1.000 0.769 CB 1.076 14 residues pruned to eliminate duplicates Z: 17 13.275 1.742 0.581 0.488 0.875 0.688 CB 1.395 18 residues pruned to eliminate duplicates Z: 6 3.747 1.677 -0.260 0.615 0.800 0.400 C 1.515 Z: 10 15.815 2.091 0.372 0.865 0.889 0.667 CA 1.514 10 residues pruned to eliminate duplicates Z: 6 2.284 1.519 0.721 0.123 0.600 0.600 C 1.046 6 residues pruned to eliminate duplicates Z: 11 6.967 1.712 0.555 0.405 0.800 0.400 CB 1.142 11 residues pruned to eliminate duplicates Z: 35 32.043 2.082 0.720 0.739 0.912 0.647 CB 1.358 35 residues pruned to eliminate duplicates Z: 27 42.552 2.241 0.780 0.898 0.962 0.692 CB 1.556 27 residues pruned to eliminate duplicates Z: 17 16.466 2.032 0.860 0.401 0.938 0.750 CB 1.289 17 residues pruned to eliminate duplicates Z: 17 25.070 2.078 0.809 0.511 1.000 0.625 CB 1.649 17 residues pruned to eliminate duplicates Z: 17 17.115 1.725 0.826 0.896 0.875 0.312 CB 1.112 17 residues pruned to eliminate duplicates Z: 28 30.543 2.072 0.799 0.595 0.926 0.704 CB 1.555 28 residues pruned to eliminate duplicates Z: 50 45.318 2.143 0.943 0.574 0.980 0.714 CB 1.477 50 residues pruned to eliminate duplicates Z: 14 20.321 1.975 0.638 0.691 0.923 0.846 CA 1.585 14 residues pruned to eliminate duplicates Z: 7 2.563 1.435 -0.083 0.366 0.833 0.500 N 1.103 Z: 7 12.617 1.881 0.721 0.714 1.000 0.833 CB 1.311 7 residues pruned to eliminate duplicates Z: 37 31.841 1.991 0.618 0.722 0.972 0.750 CB 1.386 36 residues pruned to eliminate duplicates Z: 35 30.065 2.004 0.655 0.625 0.941 0.765 CB 1.468 35 residues pruned to eliminate duplicates Z: 43 48.979 2.210 0.823 0.756 0.929 0.810 CB 1.609 43 residues pruned to eliminate duplicates Z: 8 5.701 1.389 0.478 0.806 1.000 0.857 CB 0.803 Z: 12 7.707 1.527 0.759 0.448 0.818 0.727 N 1.115 7 residues pruned to eliminate duplicates Z: 16 10.268 1.620 0.823 0.442 0.867 0.600 CB 1.099 16 residues pruned to eliminate duplicates Z: 6 5.743 1.553 0.088 0.821 1.000 0.800 CA 1.150 6 residues pruned to eliminate duplicates Z: 14 23.242 1.956 0.807 0.933 1.000 0.923 CB 1.273 14 residues pruned to eliminate duplicates Z: 6 2.741 1.378 0.303 0.587 0.800 0.800 CB 0.785 Z: 14 14.619 1.932 0.116 0.923 1.000 0.923 CB 1.322 14 residues pruned to eliminate duplicates Z: 58 34.531 2.060 0.608 0.581 0.895 0.509 CB 1.427 58 residues pruned to eliminate duplicates Z: 7 4.259 1.567 0.247 0.396 0.833 0.667 N 1.191 4 residues pruned to eliminate duplicates Z: 28 34.414 2.075 0.698 0.856 0.963 0.630 CB 1.440 28 residues pruned to eliminate duplicates Z: 7 3.716 1.659 -0.158 0.700 1.000 0.667 CB 0.905 7 residues pruned to eliminate duplicates Z: 52 46.214 2.050 0.805 0.701 0.961 0.804 CB 1.516 52 residues pruned to eliminate duplicates Z: 15 23.045 2.205 0.953 0.600 1.000 0.571 CB 1.300 15 residues pruned to eliminate duplicates Z: 17 10.626 1.904 0.967 0.308 0.750 0.375 CB 1.170 16 residues pruned to eliminate duplicates Z: 6 4.574 1.419 0.989 0.576 0.800 0.600 CB 0.842 Z: 12 20.806 2.219 0.531 0.641 1.000 0.818 CB 1.619 13 residues pruned to eliminate duplicates Z: 19 18.401 1.914 0.445 0.630 0.944 0.667 CA 1.470 19 residues pruned to eliminate duplicates Z: 15 15.463 1.936 0.229 0.926 1.000 1.000 CB 1.218 15 residues pruned to eliminate duplicates Z: 14 10.145 1.796 0.649 0.482 0.846 0.615 CB 1.143 Using tripeptides from previous cycle as seeds Z: 6 3.199 1.669 0.202 0.201 0.800 0.400 CB 1.271 Z: 6 2.908 1.529 0.394 0.219 0.800 0.200 CA 1.060 6 residues pruned to eliminate duplicates Z: 6 4.634 1.374 0.697 0.432 1.000 0.600 CA 0.954 7 residues pruned to eliminate duplicates Z: 6 3.203 1.302 0.939 0.392 0.800 0.600 C 0.795 6 residues pruned to eliminate duplicates Z: 15 16.132 1.942 0.844 0.490 0.857 0.643 CB 1.418 13 residues pruned to eliminate duplicates Z: 7 7.141 1.667 0.732 0.422 0.833 0.500 C 1.315 7 residues pruned to eliminate duplicates Z: 16 14.427 1.843 0.710 0.538 0.933 0.733 CB 1.219 15 residues pruned to eliminate duplicates Z: 6 4.706 1.615 0.597 0.307 1.000 0.400 CA 1.011 6 residues pruned to eliminate duplicates Z: 19 12.145 1.703 0.711 0.421 0.889 0.611 CB 1.200 16 residues pruned to eliminate duplicates Z: 6 3.958 1.519 0.473 0.818 0.600 0.600 CB 1.000 6 residues pruned to eliminate duplicates Z: 62 42.045 2.090 0.718 0.543 0.918 0.590 CB 1.565 62 residues pruned to eliminate duplicates Z: 23 14.788 1.817 0.414 0.511 0.909 0.591 CB 1.335 26 residues pruned to eliminate duplicates Z: 7 5.495 1.665 0.451 0.374 0.833 0.333 CB 1.276 7 residues pruned to eliminate duplicates Z: 20 21.375 1.899 0.831 0.523 0.947 0.632 CB 1.455 25 residues pruned to eliminate duplicates Z: 7 3.781 1.471 1.065 0.437 1.000 0.833 CB 0.542 7 residues pruned to eliminate duplicates Z: 17 19.147 1.988 0.874 0.611 0.875 0.625 CB 1.322 17 residues pruned to eliminate duplicates Z: 43 35.707 2.040 0.770 0.742 0.929 0.690 CB 1.323 43 residues pruned to eliminate duplicates Z: 14 28.916 2.161 0.999 0.703 1.000 0.692 CB 1.544 14 residues pruned to eliminate duplicates Z: 38 37.161 2.115 0.733 0.782 0.946 0.568 CB 1.374 38 residues pruned to eliminate duplicates Z: 14 33.008 2.229 1.074 0.748 1.000 0.692 CB 1.587 14 residues pruned to eliminate duplicates Z: 51 36.403 2.099 0.589 0.709 0.920 0.600 CB 1.387 51 residues pruned to eliminate duplicates Z: 52 39.769 2.065 0.766 0.693 0.941 0.588 CB 1.360 52 residues pruned to eliminate duplicates Z: 38 40.688 2.105 0.707 0.802 1.000 0.676 CB 1.429 38 residues pruned to eliminate duplicates Z: 38 38.757 2.120 0.685 0.792 0.973 0.730 CB 1.420 38 residues pruned to eliminate duplicates Z: 39 39.876 2.118 0.766 0.792 0.947 0.684 CB 1.412 39 residues pruned to eliminate duplicates Z: 39 38.783 2.119 0.700 0.776 0.974 0.658 CB 1.405 39 residues pruned to eliminate duplicates Z: 40 35.714 2.072 0.679 0.769 0.949 0.667 CB 1.366 40 residues pruned to eliminate duplicates Z: 51 39.830 2.100 0.748 0.696 0.940 0.600 CB 1.364 51 residues pruned to eliminate duplicates Z: 51 42.806 2.082 0.853 0.697 0.940 0.560 CB 1.395 51 residues pruned to eliminate duplicates Z: 38 41.734 2.117 0.821 0.791 0.973 0.568 CB 1.417 38 residues pruned to eliminate duplicates Z: 40 37.103 2.073 0.789 0.767 0.949 0.564 CB 1.333 40 residues pruned to eliminate duplicates Z: 38 38.768 2.115 0.764 0.801 0.946 0.649 CB 1.388 38 residues pruned to eliminate duplicates Z: 39 35.821 2.118 0.631 0.791 0.947 0.658 CB 1.375 39 residues pruned to eliminate duplicates Z: 38 40.542 2.121 0.755 0.804 0.973 0.730 CB 1.411 38 residues pruned to eliminate duplicates Z: 38 38.484 2.122 0.748 0.807 0.919 0.622 CB 1.420 38 residues pruned to eliminate duplicates Z: 25 26.774 2.032 0.631 0.867 0.958 0.583 CB 1.259 25 residues pruned to eliminate duplicates Z: 39 38.056 2.122 0.769 0.792 0.921 0.605 CB 1.383 39 residues pruned to eliminate duplicates Z: 39 36.054 2.126 0.729 0.776 0.921 0.737 CB 1.353 39 residues pruned to eliminate duplicates Z: 38 38.501 2.117 0.683 0.803 0.946 0.730 CB 1.441 38 residues pruned to eliminate duplicates Z: 38 40.118 2.133 0.720 0.810 0.946 0.784 CB 1.451 38 residues pruned to eliminate duplicates Z: 38 39.407 2.122 0.730 0.802 0.946 0.676 CB 1.433 38 residues pruned to eliminate duplicates Z: 28 25.086 2.025 0.508 0.786 0.926 0.556 CB 1.327 28 residues pruned to eliminate duplicates Z: 38 39.811 2.117 0.761 0.799 0.946 0.676 CB 1.429 38 residues pruned to eliminate duplicates Z: 37 36.438 2.097 0.747 0.795 0.917 0.667 CB 1.396 37 residues pruned to eliminate duplicates Z: 39 36.320 2.107 0.723 0.780 0.921 0.684 CB 1.377 39 residues pruned to eliminate duplicates Z: 13 7.621 1.745 0.479 0.459 0.750 0.417 CB 1.186 13 residues pruned to eliminate duplicates Z: 39 36.146 2.113 0.652 0.781 0.921 0.658 CB 1.424 39 residues pruned to eliminate duplicates Z: 40 37.070 2.089 0.713 0.753 0.949 0.641 CB 1.395 40 residues pruned to eliminate duplicates Z: 39 37.510 2.109 0.783 0.765 0.921 0.684 CB 1.390 39 residues pruned to eliminate duplicates Z: 23 18.552 2.009 0.722 0.516 0.818 0.318 CB 1.376 23 residues pruned to eliminate duplicates Z: 50 37.159 2.089 0.741 0.691 0.878 0.592 CB 1.397 50 residues pruned to eliminate duplicates Z: 40 44.778 2.156 0.757 0.795 0.923 0.564 CB 1.584 40 residues pruned to eliminate duplicates Z: 30 42.969 2.167 0.982 0.767 0.966 0.724 CB 1.519 30 residues pruned to eliminate duplicates Z: 30 42.075 2.166 0.853 0.804 0.966 0.828 CB 1.546 30 residues pruned to eliminate duplicates Z: 54 49.739 2.169 0.837 0.692 0.925 0.642 CB 1.556 54 residues pruned to eliminate duplicates Z: 30 40.893 2.156 0.925 0.784 0.966 0.828 CB 1.475 30 residues pruned to eliminate duplicates Z: 30 39.804 2.153 0.845 0.753 0.966 0.793 CB 1.538 30 residues pruned to eliminate duplicates Z: 41 46.552 2.138 0.824 0.756 0.925 0.625 CB 1.624 41 residues pruned to eliminate duplicates Z: 102 68.059 2.173 0.841 0.650 0.931 0.693 CB 1.581 102 residues pruned to eliminate duplicates Z: 31 41.537 2.159 0.897 0.767 0.933 0.767 CB 1.566 31 residues pruned to eliminate duplicates Z: 42 44.677 2.107 0.781 0.751 0.951 0.683 CB 1.563 42 residues pruned to eliminate duplicates Z: 40 53.936 2.195 0.865 0.784 1.000 0.692 CB 1.643 40 residues pruned to eliminate duplicates Z: 55 53.314 2.178 0.803 0.697 0.944 0.611 CB 1.635 55 residues pruned to eliminate duplicates Z: 29 45.401 2.218 0.952 0.807 0.964 0.929 CB 1.573 29 residues pruned to eliminate duplicates Z: 27 47.424 2.212 0.780 0.884 1.000 0.423 CB 1.707 27 residues pruned to eliminate duplicates Z: 29 43.675 2.213 0.885 0.769 0.964 0.750 CB 1.618 29 residues pruned to eliminate duplicates Z: 52 51.256 2.185 0.772 0.689 0.961 0.647 CB 1.622 52 residues pruned to eliminate duplicates Z: 54 52.060 2.180 0.828 0.709 0.925 0.623 CB 1.606 54 residues pruned to eliminate duplicates Z: 41 50.380 2.170 0.817 0.741 1.000 0.675 CB 1.628 41 residues pruned to eliminate duplicates Z: 41 50.527 2.170 0.860 0.769 0.975 0.550 CB 1.600 41 residues pruned to eliminate duplicates Z: 43 46.246 2.139 0.862 0.733 0.929 0.619 CB 1.565 43 residues pruned to eliminate duplicates Z: 39 54.836 2.232 0.915 0.797 0.947 0.684 CB 1.694 39 residues pruned to eliminate duplicates Z: 42 52.222 2.186 0.893 0.741 0.976 0.659 CB 1.628 42 residues pruned to eliminate duplicates Z: 41 48.184 2.164 0.848 0.756 0.950 0.750 CB 1.597 41 residues pruned to eliminate duplicates Z: 52 44.948 2.129 0.788 0.678 0.902 0.627 CB 1.556 40 residues pruned to eliminate duplicates Z: 10 19.454 2.161 0.473 0.785 0.889 0.333 CA 1.784 10 residues pruned to eliminate duplicates Z: 100 67.735 2.190 0.780 0.656 0.939 0.566 CB 1.608 100 residues pruned to eliminate duplicates Z: 41 40.759 2.125 0.817 0.666 0.875 0.400 CB 1.637 41 residues pruned to eliminate duplicates Z: 24 30.349 2.240 0.666 0.627 0.870 0.522 CB 1.731 24 residues pruned to eliminate duplicates Z: 41 45.204 2.184 0.755 0.717 0.925 0.650 CB 1.657 41 residues pruned to eliminate duplicates Z: 56 50.815 2.151 0.870 0.657 0.927 0.655 CB 1.588 56 residues pruned to eliminate duplicates Z: 94 66.079 2.143 0.878 0.649 0.925 0.602 CB 1.603 94 residues pruned to eliminate duplicates Z: 53 54.400 2.171 0.899 0.678 0.962 0.692 CB 1.615 53 residues pruned to eliminate duplicates Z: 56 51.349 2.150 0.778 0.673 0.945 0.582 CB 1.634 56 residues pruned to eliminate duplicates Z: 14 26.968 2.149 0.921 0.554 1.000 0.769 CB 1.718 14 residues pruned to eliminate duplicates Z: 54 53.030 2.175 0.839 0.703 0.943 0.642 CB 1.605 54 residues pruned to eliminate duplicates Z: 15 22.418 2.076 0.889 0.528 0.929 0.571 CA 1.600 15 residues pruned to eliminate duplicates Z: 85 71.594 2.194 0.927 0.675 0.952 0.738 CB 1.651 85 residues pruned to eliminate duplicates Z: 101 72.563 2.178 0.880 0.650 0.950 0.630 CB 1.623 101 residues pruned to eliminate duplicates Z: 59 44.146 2.154 0.789 0.573 0.914 0.638 CB 1.534 59 residues pruned to eliminate duplicates Z: 16 15.940 1.983 0.740 0.447 0.867 0.667 CB 1.453 16 residues pruned to eliminate duplicates Z: 15 20.286 2.085 0.807 0.527 1.000 0.857 CB 1.401 15 residues pruned to eliminate duplicates Z: 58 42.126 2.094 0.764 0.566 0.912 0.614 CB 1.554 58 residues pruned to eliminate duplicates Z: 54 51.949 2.173 0.836 0.706 0.943 0.717 CB 1.572 54 residues pruned to eliminate duplicates Z: 56 47.112 2.165 0.835 0.594 0.945 0.618 CB 1.546 56 residues pruned to eliminate duplicates Z: 46 43.254 2.200 0.829 0.603 0.911 0.667 CB 1.596 46 residues pruned to eliminate duplicates Z: 56 44.241 2.143 0.746 0.573 0.927 0.618 CB 1.602 56 residues pruned to eliminate duplicates Z: 44 42.633 2.210 0.824 0.610 0.907 0.698 CB 1.602 44 residues pruned to eliminate duplicates Z: 46 40.503 2.052 0.789 0.583 0.956 0.711 CB 1.589 46 residues pruned to eliminate duplicates Z: 51 36.824 2.113 0.667 0.583 0.900 0.720 CB 1.518 51 residues pruned to eliminate duplicates Z: 29 50.611 2.244 1.099 0.700 0.964 0.786 CB 1.755 29 residues pruned to eliminate duplicates Z: 36 39.721 2.213 0.822 0.612 0.914 0.714 CB 1.639 36 residues pruned to eliminate duplicates Z: 28 50.423 2.292 1.019 0.729 0.963 0.741 CB 1.772 28 residues pruned to eliminate duplicates Z: 44 42.355 2.210 0.817 0.570 0.930 0.651 CB 1.616 44 residues pruned to eliminate duplicates Z: 29 48.149 2.276 0.959 0.718 0.964 0.714 CB 1.739 29 residues pruned to eliminate duplicates Z: 29 51.812 2.279 0.999 0.700 1.000 0.750 CB 1.791 29 residues pruned to eliminate duplicates Z: 30 50.047 2.262 1.061 0.709 0.966 0.759 CB 1.707 30 residues pruned to eliminate duplicates Z: 60 52.311 2.164 0.865 0.600 0.966 0.695 CB 1.588 60 residues pruned to eliminate duplicates Z: 56 46.462 2.102 0.835 0.586 0.964 0.600 CB 1.552 56 residues pruned to eliminate duplicates Z: 45 45.677 2.208 0.770 0.660 0.932 0.795 CB 1.630 45 residues pruned to eliminate duplicates Z: 70 51.907 2.049 0.763 0.695 0.971 0.768 CB 1.491 129 residues pruned to eliminate duplicates Z: 18 33.753 2.254 0.606 0.921 1.000 0.882 CB 1.592 18 residues pruned to eliminate duplicates Z: 28 52.770 2.322 0.922 0.767 1.000 0.852 CB 1.796 28 residues pruned to eliminate duplicates Z: 31 50.095 2.218 1.037 0.687 1.000 0.733 CB 1.705 31 residues pruned to eliminate duplicates Z: 99 67.705 2.193 0.770 0.661 0.939 0.663 CB 1.617 99 residues pruned to eliminate duplicates Z: 32 45.918 2.181 1.034 0.643 0.968 0.710 CB 1.680 32 residues pruned to eliminate duplicates Z: 30 46.484 2.234 1.033 0.669 0.931 0.759 CB 1.746 30 residues pruned to eliminate duplicates Z: 54 54.123 2.211 0.925 0.614 0.962 0.717 CB 1.630 54 residues pruned to eliminate duplicates Z: 45 47.869 2.209 0.837 0.682 0.932 0.705 CB 1.615 45 residues pruned to eliminate duplicates Z: 28 50.487 2.304 0.959 0.744 1.000 0.852 CB 1.731 28 residues pruned to eliminate duplicates Z: 47 42.444 2.178 0.650 0.656 0.957 0.739 CB 1.574 47 residues pruned to eliminate duplicates Z: 26 49.212 2.325 0.993 0.735 1.000 0.800 CB 1.720 26 residues pruned to eliminate duplicates Z: 46 47.356 2.193 0.854 0.653 0.978 0.711 CB 1.541 46 residues pruned to eliminate duplicates Z: 39 51.105 2.267 0.886 0.714 0.947 0.737 CB 1.686 39 residues pruned to eliminate duplicates Z: 45 51.289 2.223 0.917 0.660 0.955 0.795 CB 1.639 45 residues pruned to eliminate duplicates Z: 46 47.351 2.182 0.834 0.652 0.978 0.644 CB 1.566 46 residues pruned to eliminate duplicates Z: 47 46.524 2.171 0.856 0.621 0.957 0.609 CB 1.588 47 residues pruned to eliminate duplicates Z: 17 12.231 1.853 0.419 0.497 0.875 0.312 CB 1.332 17 residues pruned to eliminate duplicates Z: 29 24.743 2.040 0.666 0.457 0.929 0.571 CB 1.548 29 residues pruned to eliminate duplicates Z: 53 53.924 2.220 0.922 0.611 0.962 0.615 CB 1.640 53 residues pruned to eliminate duplicates Z: 23 17.052 1.937 0.557 0.502 0.909 0.455 CB 1.323 23 residues pruned to eliminate duplicates Z: 48 50.053 2.168 0.992 0.637 0.957 0.702 CB 1.552 48 residues pruned to eliminate duplicates Z: 49 45.816 2.153 0.954 0.611 0.938 0.583 CB 1.509 49 residues pruned to eliminate duplicates Z: 77 48.811 2.143 0.813 0.548 0.908 0.605 CB 1.515 77 residues pruned to eliminate duplicates Z: 28 18.038 1.841 0.555 0.474 0.852 0.593 CB 1.461 28 residues pruned to eliminate duplicates Z: 24 17.528 1.930 0.657 0.468 0.826 0.609 CB 1.429 24 residues pruned to eliminate duplicates Z: 54 54.041 2.187 0.934 0.656 0.943 0.623 CB 1.610 54 residues pruned to eliminate duplicates Z: 54 55.744 2.208 0.885 0.644 0.962 0.755 CB 1.671 54 residues pruned to eliminate duplicates Z: 29 28.486 2.062 0.755 0.576 0.929 0.643 CB 1.489 29 residues pruned to eliminate duplicates Z: 29 27.393 2.049 0.793 0.542 0.857 0.500 CB 1.578 29 residues pruned to eliminate duplicates Z: 54 56.148 2.218 1.000 0.644 0.943 0.679 CB 1.611 54 residues pruned to eliminate duplicates Z: 63 56.250 2.177 0.886 0.635 0.935 0.774 CB 1.639 63 residues pruned to eliminate duplicates Z: 20 24.164 2.017 0.965 0.502 0.842 0.632 CA 1.659 20 residues pruned to eliminate duplicates Z: 55 55.973 2.191 1.038 0.636 0.944 0.667 CB 1.590 55 residues pruned to eliminate duplicates Z: 58 52.653 2.189 0.890 0.615 0.930 0.754 CB 1.626 58 residues pruned to eliminate duplicates Z: 36 32.932 2.111 0.830 0.518 0.914 0.657 CB 1.548 36 residues pruned to eliminate duplicates Z: 76 51.015 2.157 0.814 0.559 0.933 0.653 CB 1.524 76 residues pruned to eliminate duplicates Z: 56 51.763 2.189 0.845 0.631 0.927 0.691 CB 1.648 56 residues pruned to eliminate duplicates Z: 25 14.107 1.894 0.623 0.328 0.792 0.458 CB 1.429 25 residues pruned to eliminate duplicates Z: 59 56.907 2.197 0.969 0.625 0.966 0.672 CB 1.590 59 residues pruned to eliminate duplicates Z: 64 55.317 2.154 0.849 0.606 0.952 0.714 CB 1.661 64 residues pruned to eliminate duplicates Z: 63 57.055 2.173 0.857 0.618 0.952 0.677 CB 1.687 63 residues pruned to eliminate duplicates Z: 12 17.021 1.954 0.769 0.511 1.000 0.636 CB 1.469 Z: 8 6.378 1.715 0.726 0.530 0.571 0.286 CA 1.384 8 residues pruned to eliminate duplicates Z: 12 13.302 1.966 0.785 0.399 0.909 0.455 CB 1.399 12 residues pruned to eliminate duplicates Z: 11 15.329 1.952 0.974 0.499 1.000 0.500 CB 1.260 11 residues pruned to eliminate duplicates Z: 7 7.763 1.572 1.228 0.456 1.000 0.500 CB 0.946 7 residues pruned to eliminate duplicates Z: 6 7.355 2.040 0.403 0.371 1.000 0.800 CB 1.320 Z: 6 6.262 1.854 0.931 0.406 0.800 0.400 CA 1.080 12 residues pruned to eliminate duplicates Z: 35 29.135 1.942 0.917 0.515 0.912 0.765 CB 1.450 35 residues pruned to eliminate duplicates Z: 26 29.730 1.881 0.890 0.760 1.000 0.800 CB 1.327 26 residues pruned to eliminate duplicates Z: 25 29.085 1.925 0.869 0.747 0.958 0.792 CB 1.381 25 residues pruned to eliminate duplicates Z: 26 27.697 1.906 0.775 0.757 0.960 0.720 CB 1.356 26 residues pruned to eliminate duplicates Z: 25 28.774 1.937 0.836 0.723 1.000 0.792 CB 1.351 25 residues pruned to eliminate duplicates Z: 26 29.060 1.884 0.859 0.759 0.960 0.800 CB 1.373 26 residues pruned to eliminate duplicates Z: 25 30.718 1.950 0.845 0.796 1.000 0.833 CB 1.344 25 residues pruned to eliminate duplicates Z: 25 31.816 1.908 0.994 0.764 1.000 0.792 CB 1.350 25 residues pruned to eliminate duplicates Z: 26 28.731 1.889 0.886 0.761 0.960 0.720 CB 1.332 26 residues pruned to eliminate duplicates Z: 25 30.627 1.938 0.969 0.745 1.000 0.708 CB 1.316 25 residues pruned to eliminate duplicates Z: 19 24.331 1.998 0.996 0.612 0.889 0.833 CB 1.455 19 residues pruned to eliminate duplicates Z: 58 53.534 2.223 0.701 0.716 0.947 0.684 CB 1.628 58 residues pruned to eliminate duplicates Z: 59 52.058 2.227 0.716 0.696 0.931 0.672 CB 1.606 59 residues pruned to eliminate duplicates Z: 43 42.858 2.238 0.649 0.731 0.905 0.738 CB 1.610 43 residues pruned to eliminate duplicates Z: 72 47.548 2.213 0.679 0.607 0.930 0.648 CB 1.477 72 residues pruned to eliminate duplicates Z: 42 48.604 2.283 0.678 0.753 0.951 0.683 CB 1.663 42 residues pruned to eliminate duplicates Z: 70 53.118 2.263 0.629 0.678 0.928 0.667 CB 1.588 70 residues pruned to eliminate duplicates Z: 81 62.194 2.250 0.717 0.698 0.975 0.713 CB 1.541 81 residues pruned to eliminate duplicates Z: 42 45.985 2.260 0.599 0.752 0.976 0.780 CB 1.627 42 residues pruned to eliminate duplicates Z: 45 39.622 2.209 0.584 0.699 0.909 0.568 CB 1.565 45 residues pruned to eliminate duplicates Z: 41 45.988 2.290 0.557 0.785 0.975 0.775 CB 1.627 41 residues pruned to eliminate duplicates Z: 45 43.608 2.191 0.638 0.751 0.955 0.614 CB 1.534 45 residues pruned to eliminate duplicates Z: 60 50.234 2.191 0.722 0.662 0.949 0.661 CB 1.572 60 residues pruned to eliminate duplicates Z: 96 58.785 2.196 0.675 0.633 0.947 0.663 CB 1.528 96 residues pruned to eliminate duplicates Z: 42 46.136 2.265 0.614 0.777 0.976 0.732 CB 1.582 42 residues pruned to eliminate duplicates Z: 77 59.146 2.265 0.758 0.655 0.934 0.724 CB 1.579 77 residues pruned to eliminate duplicates Z: 43 42.390 2.258 0.498 0.751 0.952 0.690 CB 1.623 43 residues pruned to eliminate duplicates Z: 54 48.231 2.265 0.636 0.703 0.925 0.679 CB 1.607 54 residues pruned to eliminate duplicates Z: 32 46.762 2.308 0.671 0.765 1.000 0.839 CB 1.722 32 residues pruned to eliminate duplicates Z: 53 48.394 2.305 0.639 0.683 0.942 0.692 CB 1.593 53 residues pruned to eliminate duplicates Z: 41 46.528 2.294 0.624 0.753 0.950 0.625 CB 1.660 41 residues pruned to eliminate duplicates Z: 30 47.828 2.359 0.667 0.796 1.000 0.759 CB 1.744 30 residues pruned to eliminate duplicates Z: 55 41.627 2.249 0.527 0.650 0.926 0.574 CB 1.549 55 residues pruned to eliminate duplicates Z: 44 45.577 2.255 0.604 0.742 0.977 0.605 CB 1.584 44 residues pruned to eliminate duplicates Z: 44 39.513 2.212 0.635 0.723 0.907 0.628 CB 1.502 44 residues pruned to eliminate duplicates Z: 45 41.577 2.221 0.560 0.714 0.977 0.659 CB 1.524 45 residues pruned to eliminate duplicates Z: 53 44.279 2.221 0.545 0.674 0.962 0.596 CB 1.585 53 residues pruned to eliminate duplicates Z: 36 46.289 2.251 0.798 0.733 1.000 0.829 CB 1.568 36 residues pruned to eliminate duplicates Z: 53 49.224 2.304 0.696 0.691 0.923 0.673 CB 1.588 53 residues pruned to eliminate duplicates Z: 50 44.996 2.284 0.588 0.677 0.939 0.592 CB 1.603 50 residues pruned to eliminate duplicates Z: 38 37.025 2.247 0.635 0.650 0.946 0.595 CB 1.523 38 residues pruned to eliminate duplicates Z: 54 51.591 2.284 0.740 0.672 0.962 0.623 CB 1.581 54 residues pruned to eliminate duplicates Z: 33 44.440 2.309 0.814 0.745 0.938 0.750 CB 1.607 33 residues pruned to eliminate duplicates Z: 59 47.880 2.194 0.817 0.695 0.897 0.638 CB 1.472 59 residues pruned to eliminate duplicates Z: 41 52.528 2.303 0.786 0.775 0.975 0.625 CB 1.624 41 residues pruned to eliminate duplicates Z: 42 47.773 2.259 0.679 0.722 1.000 0.634 CB 1.610 42 residues pruned to eliminate duplicates Z: 51 42.182 2.175 0.750 0.672 0.960 0.700 CB 1.393 51 residues pruned to eliminate duplicates Z: 41 48.751 2.291 0.783 0.760 0.900 0.625 CB 1.663 41 residues pruned to eliminate duplicates Z: 49 32.900 2.153 0.521 0.550 0.917 0.646 CB 1.506 49 residues pruned to eliminate duplicates Z: 81 61.265 2.229 0.795 0.699 0.938 0.625 CB 1.523 81 residues pruned to eliminate duplicates Z: 64 46.743 2.235 0.627 0.610 0.921 0.683 CB 1.584 47 residues pruned to eliminate duplicates Z: 10 22.850 2.184 0.634 0.824 1.000 0.667 CB 1.612 10 residues pruned to eliminate duplicates Z: 52 38.027 2.207 0.613 0.572 0.922 0.608 CB 1.514 52 residues pruned to eliminate duplicates Z: 53 40.327 2.164 0.734 0.659 0.904 0.673 CB 1.423 53 residues pruned to eliminate duplicates Z: 24 26.027 2.221 0.513 0.578 0.957 0.696 CB 1.566 24 residues pruned to eliminate duplicates Z: 54 38.703 2.149 0.710 0.627 0.925 0.642 CB 1.389 54 residues pruned to eliminate duplicates Z: 42 33.626 2.126 0.592 0.614 0.951 0.659 CB 1.465 42 residues pruned to eliminate duplicates Z: 52 48.123 2.259 0.688 0.685 0.961 0.706 CB 1.552 46 residues pruned to eliminate duplicates Z: 7 17.675 2.226 0.732 0.533 1.000 0.833 CB 1.811 7 residues pruned to eliminate duplicates Z: 7 10.818 2.035 0.507 0.546 1.000 0.667 CB 1.377 7 residues pruned to eliminate duplicates Z: 9 8.594 1.832 0.379 0.772 0.875 0.375 CB 1.081 9 residues pruned to eliminate duplicates Z: 78 50.794 2.223 0.621 0.609 0.935 0.740 CB 1.550 78 residues pruned to eliminate duplicates Z: 77 62.541 2.222 0.845 0.658 0.947 0.671 CB 1.595 50 residues pruned to eliminate duplicates Z: 6 8.576 1.835 1.125 0.332 0.800 0.600 CB 1.478 6 residues pruned to eliminate duplicates Z: 42 43.511 2.170 0.930 0.627 0.951 0.707 CB 1.513 42 residues pruned to eliminate duplicates Z: 33 29.016 1.987 0.850 0.600 0.938 0.656 CB 1.353 33 residues pruned to eliminate duplicates Z: 42 41.968 2.183 0.974 0.636 0.902 0.659 CB 1.484 42 residues pruned to eliminate duplicates Z: 42 41.809 2.156 0.956 0.640 0.951 0.707 CB 1.428 42 residues pruned to eliminate duplicates Z: 28 37.861 2.117 0.992 0.734 0.963 0.741 CB 1.454 28 residues pruned to eliminate duplicates Z: 28 37.014 2.100 1.056 0.707 0.963 0.852 CB 1.419 28 residues pruned to eliminate duplicates Z: 16 22.516 1.874 0.749 0.914 1.000 0.733 CB 1.254 16 residues pruned to eliminate duplicates Z: 16 21.983 1.871 0.813 0.924 1.000 0.800 CB 1.175 16 residues pruned to eliminate duplicates Z: 16 22.734 1.878 0.861 0.912 1.000 0.667 CB 1.190 16 residues pruned to eliminate duplicates Z: 17 21.102 1.825 0.849 0.857 0.938 0.562 CB 1.229 17 residues pruned to eliminate duplicates Z: 28 37.676 2.108 1.056 0.733 0.926 0.593 CB 1.466 28 residues pruned to eliminate duplicates Z: 42 40.672 2.148 1.033 0.634 0.902 0.634 CB 1.421 42 residues pruned to eliminate duplicates Z: 42 34.933 2.102 0.845 0.600 0.927 0.537 CB 1.379 42 residues pruned to eliminate duplicates Z: 25 38.373 2.111 1.052 0.766 1.000 0.708 CB 1.429 25 residues pruned to eliminate duplicates Z: 16 18.218 1.796 0.913 0.907 0.867 0.400 CB 1.123 16 residues pruned to eliminate duplicates Z: 17 19.197 1.756 0.986 0.899 0.938 0.500 CB 1.049 17 residues pruned to eliminate duplicates Z: 26 31.057 2.049 0.893 0.751 0.920 0.560 CB 1.391 25 residues pruned to eliminate duplicates Z: 6 4.286 1.659 0.611 0.226 1.000 0.600 CA 0.988 6 residues pruned to eliminate duplicates Z: 41 55.914 2.223 0.838 0.812 1.000 0.725 CB 1.650 41 residues pruned to eliminate duplicates Z: 41 55.398 2.213 0.860 0.774 1.000 0.775 CB 1.671 41 residues pruned to eliminate duplicates Z: 42 47.096 2.208 0.812 0.719 0.927 0.561 CB 1.627 42 residues pruned to eliminate duplicates Z: 53 48.297 2.130 0.850 0.679 0.923 0.654 CB 1.562 65 residues pruned to eliminate duplicates Z: 41 54.675 2.228 0.845 0.773 1.000 0.700 CB 1.652 41 residues pruned to eliminate duplicates Z: 43 47.009 2.168 0.834 0.716 0.929 0.786 CB 1.617 43 residues pruned to eliminate duplicates Z: 42 48.530 2.174 0.730 0.747 0.976 0.659 CB 1.656 42 residues pruned to eliminate duplicates Z: 42 53.674 2.182 0.858 0.745 1.000 0.756 CB 1.662 42 residues pruned to eliminate duplicates Z: 53 50.419 2.115 0.852 0.709 0.962 0.692 CB 1.536 53 residues pruned to eliminate duplicates Z: 44 48.310 2.159 0.836 0.727 0.953 0.744 CB 1.589 44 residues pruned to eliminate duplicates Z: 43 51.493 2.192 0.904 0.733 0.952 0.714 CB 1.621 43 residues pruned to eliminate duplicates Z: 53 43.911 2.128 0.689 0.637 0.942 0.692 CB 1.580 53 residues pruned to eliminate duplicates Z: 41 56.822 2.231 0.893 0.783 0.975 0.650 CB 1.700 41 residues pruned to eliminate duplicates Z: 47 36.480 2.059 0.837 0.612 0.891 0.587 CB 1.436 47 residues pruned to eliminate duplicates Z: 41 59.877 2.223 0.904 0.805 1.000 0.750 CB 1.715 41 residues pruned to eliminate duplicates Z: 54 44.103 2.089 0.739 0.694 0.906 0.698 CB 1.542 54 residues pruned to eliminate duplicates Z: 41 53.011 2.214 0.834 0.772 0.975 0.600 CB 1.664 41 residues pruned to eliminate duplicates Z: 42 57.117 2.223 0.902 0.798 0.976 0.732 CB 1.666 42 residues pruned to eliminate duplicates Z: 53 46.145 2.121 0.665 0.695 0.962 0.673 CB 1.578 53 residues pruned to eliminate duplicates Z: 43 47.123 2.194 0.791 0.735 0.952 0.690 CB 1.574 43 residues pruned to eliminate duplicates Z: 53 47.136 2.131 0.744 0.680 0.942 0.673 CB 1.581 53 residues pruned to eliminate duplicates Z: 44 43.816 2.129 0.884 0.631 0.930 0.744 CB 1.583 32 residues pruned to eliminate duplicates Z: 28 36.778 2.098 0.762 0.850 0.926 0.704 CB 1.531 28 residues pruned to eliminate duplicates Z: 43 49.719 2.203 0.887 0.700 0.952 0.690 CB 1.615 43 residues pruned to eliminate duplicates Z: 42 50.510 2.184 0.810 0.730 0.976 0.610 CB 1.662 42 residues pruned to eliminate duplicates Z: 53 52.768 2.142 0.922 0.702 0.962 0.712 CB 1.538 53 residues pruned to eliminate duplicates Z: 53 49.955 2.122 0.845 0.687 0.962 0.673 CB 1.550 53 residues pruned to eliminate duplicates Z: 53 45.375 2.128 0.795 0.660 0.923 0.712 CB 1.538 53 residues pruned to eliminate duplicates Z: 13 17.015 2.151 0.992 0.612 0.833 0.667 CB 1.237 13 residues pruned to eliminate duplicates Z: 13 19.355 2.021 0.959 0.663 0.833 0.500 CB 1.455 13 residues pruned to eliminate duplicates Z: 28 16.444 1.845 0.715 0.497 0.852 0.556 CB 1.178 28 residues pruned to eliminate duplicates Z: 50 43.392 2.077 1.048 0.644 0.898 0.673 CB 1.419 50 residues pruned to eliminate duplicates Z: 12 18.483 2.130 1.192 0.649 0.727 0.545 CB 1.428 12 residues pruned to eliminate duplicates Z: 52 47.329 2.100 0.760 0.694 0.941 0.745 CB 1.596 52 residues pruned to eliminate duplicates Z: 14 17.668 2.102 0.885 0.628 0.846 0.615 CB 1.295 14 residues pruned to eliminate duplicates 353 residues left after pruning, divided into chains as follows: A: 8 B: 52 C: 13 D: 19 E: 184 F: 15 G: 7 H: 55 CC for partial structure against native data = 34.29 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.448, Connect. = 0.733 for dens.mod. cycle 1 = 0.300, Contrast = 0.509, Connect. = 0.753 for dens.mod. cycle 2 = 0.300, Contrast = 0.595, Connect. = 0.783 for dens.mod. cycle 3 = 0.300, Contrast = 0.599, Connect. = 0.785 for dens.mod. cycle 4 = 0.300, Contrast = 0.607, Connect. = 0.787 for dens.mod. cycle 5 = 0.300, Contrast = 0.611, Connect. = 0.788 for dens.mod. cycle 6 = 0.300, Contrast = 0.615, Connect. = 0.789 for dens.mod. cycle 7 = 0.300, Contrast = 0.618, Connect. = 0.791 for dens.mod. cycle 8 = 0.300, Contrast = 0.620, Connect. = 0.792 for dens.mod. cycle 9 = 0.300, Contrast = 0.621, Connect. = 0.792 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 4.05 - 3.20 - 2.79 - 2.53 - 2.35 - 2.20 - 2.09 - 2.00 - 1.92 - 1.85 0.702 0.700 0.687 0.685 0.644 0.636 0.630 0.614 0.614 0.584 0.865 0.871 0.873 0.861 0.810 0.795 0.782 0.759 0.758 0.762 N 4312 4337 4291 4350 4205 4616 4267 4232 4392 3950 Estimated mean FOM = 0.650 Pseudo-free CC = 67.85 % Best trace (cycle 1 with CC 39.46%) was saved as ./2od6-1.8-parrot-mrncs/2od6-1.8-parrot-mrncs.pdb ============================================================================== CPU times required in seconds ----------------------------- 0.6 - Setup, data input and phasing 7.0 - FFTs and peak-searches 17.1 - Sphere of influence 0.6 - Rest of density modification 0.0 - Alpha-helix search 1181.5 - Tripeptide search 10488.9 - Chain tracing 0.0 - NCS analysis 30.8 - B-value refinement for trace 0.2 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 00:08:24 Total time: 11726.41 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 196.7 Used memory is bytes: 9031536