null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 01:49:04 on 15 Sep 2019 + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Please cite: I. Uson & G.M. Sheldrick (2018), "An introduction to experimental phasing of macromolecules illustrated by SHELX; new autotracing features" Acta Cryst. D74, 106-116 (Open Access) if SHELXE proves useful. Command line parameters: ./1vmf-1.7-parrot-noncs/1vmf-1.7-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./1vmf-1.7-parrot-noncs/1vmf-1.7-parrot-noncs.ins Phases from ./1vmf-1.7-parrot-noncs/1vmf-1.7-parrot-noncs.phi Native data from ./1vmf-1.7-parrot-noncs/1vmf-1.7-parrot-noncs.hkl Listing output to ./1vmf-1.7-parrot-noncs/1vmf-1.7-parrot-noncs.lst Phases output to ./1vmf-1.7-parrot-noncs/1vmf-1.7-parrot-noncs.phs Poly-Ala trace output to ./1vmf-1.7-parrot-noncs/1vmf-1.7-parrot-noncs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 21 21 21 Allowed origin shift code: 4 48424 Reflections read from file ./1vmf-1.7-parrot-noncs/1vmf-1.7-parrot-noncs.phi 48424 Reflections read from file ./1vmf-1.7-parrot-noncs/1vmf-1.7-parrot-noncs.hkl 48424 Unique data, highest resolution = 1.730 Angstroms Anisotropic scaling: intensities multiplied by -0.000039h^2 +0.000084k^2 +0.000001l^2 +0.000000kl +0.000000hl +0.000000hk 20 Reflections with d > 1.930 and 0 in range 1.930 > d > 1.730 added Density sharpening factor set to 1.16 Fourier grid = 128 x 128 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|> = 0.672 = 0.300, Contrast = 0.474, Connect. = 0.763 for dens.mod. cycle 1 = 0.300, Contrast = 0.553, Connect. = 0.772 for dens.mod. cycle 2 = 0.300, Contrast = 0.636, Connect. = 0.788 for dens.mod. cycle 3 = 0.300, Contrast = 0.658, Connect. = 0.792 for dens.mod. cycle 4 = 0.300, Contrast = 0.668, Connect. = 0.796 for dens.mod. cycle 5 = 0.300, Contrast = 0.676, Connect. = 0.797 for dens.mod. cycle 6 = 0.300, Contrast = 0.680, Connect. = 0.798 for dens.mod. cycle 7 = 0.300, Contrast = 0.683, Connect. = 0.799 for dens.mod. cycle 8 = 0.300, Contrast = 0.686, Connect. = 0.799 for dens.mod. cycle 9 = 0.300, Contrast = 0.688, Connect. = 0.800 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2172 peaks > 0.5 sigma used to seed fragment search Space for about 500 unique residues taking solvent into account 513 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 13 28.124 2.047 0.803 0.878 1.000 0.833 CA 1.597 B: 14 24.030 2.179 0.647 0.865 0.923 0.923 CB 1.475 13 residues pruned to eliminate duplicates C: 14 25.176 2.111 0.886 0.836 0.846 0.846 CB 1.551 14 residues pruned to eliminate duplicates D: 11 34.704 2.403 0.990 0.915 1.000 0.900 CB 1.622 E: 11 32.956 2.444 0.966 0.834 1.000 0.600 CB 1.626 10 residues pruned to eliminate duplicates F: 14 30.362 2.120 0.841 0.807 0.923 0.769 CB 1.788 14 residues pruned to eliminate duplicates G: 15 37.100 2.108 1.276 0.881 0.929 0.857 CB 1.611 15 residues pruned to eliminate duplicates H: 13 37.183 2.268 1.119 0.851 1.000 0.917 CA 1.654 14 residues pruned to eliminate duplicates I: 13 47.105 2.313 1.386 0.883 1.000 0.833 CB 1.781 13 residues pruned to eliminate duplicates J: 16 31.487 2.201 0.753 0.922 1.000 0.800 CB 1.482 K: 12 27.291 2.158 1.068 0.862 0.909 0.909 CA 1.489 L: 16 31.700 2.108 0.881 0.939 1.000 0.867 CB 1.435 M: 13 31.718 2.280 0.852 0.859 0.917 0.917 CB 1.740 13 residues pruned to eliminate duplicates N: 12 20.788 2.130 0.808 0.858 0.909 0.818 CB 1.319 12 residues pruned to eliminate duplicates O: 15 25.554 2.046 0.945 0.802 0.857 0.714 CB 1.538 P: 11 32.284 2.358 0.877 0.913 1.000 0.900 CA 1.632 12 residues pruned to eliminate duplicates Q: 15 29.832 2.263 0.579 0.926 1.000 0.929 CB 1.565 15 residues pruned to eliminate duplicates R: 81 61.331 2.210 1.043 0.521 0.950 0.663 CB 1.565 15 residues pruned to eliminate duplicates S: 16 31.478 2.186 0.626 0.943 1.000 0.933 CB 1.585 16 residues pruned to eliminate duplicates T: 14 29.074 2.141 1.081 0.831 0.923 0.923 CB 1.474 12 residues pruned to eliminate duplicates U: 13 24.790 2.227 0.659 0.783 0.917 0.750 CA 1.647 13 residues pruned to eliminate duplicates V: 15 36.340 2.276 0.778 0.933 1.000 0.857 CB 1.675 15 residues pruned to eliminate duplicates W: 13 28.234 2.272 0.755 0.807 1.000 0.833 CB 1.564 13 residues pruned to eliminate duplicates X: 81 58.081 2.197 1.057 0.491 0.950 0.637 CB 1.526 81 residues pruned to eliminate duplicates Y: 10 38.519 2.435 1.126 0.918 1.000 0.889 CB 1.750 11 residues pruned to eliminate duplicates Z: 18 29.764 2.162 0.698 0.813 1.000 0.824 CB 1.498 18 residues pruned to eliminate duplicates Z: 16 29.158 2.073 0.889 0.918 0.933 0.733 CB 1.453 16 residues pruned to eliminate duplicates Z: 17 34.653 2.240 1.029 0.822 0.938 0.812 CB 1.538 17 residues pruned to eliminate duplicates Z: 47 47.470 2.231 1.003 0.512 0.957 0.761 CB 1.618 47 residues pruned to eliminate duplicates Z: 11 25.292 2.376 0.671 0.821 0.900 0.900 CB 1.694 11 residues pruned to eliminate duplicates Z: 15 30.308 2.251 0.673 0.913 1.000 0.714 CB 1.523 15 residues pruned to eliminate duplicates Z: 12 23.794 2.123 1.238 0.512 0.909 0.545 CA 1.641 Z: 14 30.721 2.075 1.122 0.806 1.000 0.769 CB 1.482 14 residues pruned to eliminate duplicates Z: 16 26.076 2.060 0.745 0.933 0.933 0.867 CB 1.401 16 residues pruned to eliminate duplicates Z: 77 48.872 2.127 0.846 0.510 0.961 0.711 CB 1.472 77 residues pruned to eliminate duplicates Z: 13 36.506 2.231 0.980 0.870 1.000 0.833 CB 1.741 13 residues pruned to eliminate duplicates Z: 18 18.066 1.967 0.975 0.516 0.941 0.706 CB 1.180 Z: 20 19.702 2.051 1.116 0.420 0.842 0.632 CB 1.344 Z: 11 47.925 2.401 1.463 0.925 1.000 0.800 CB 1.799 11 residues pruned to eliminate duplicates Z: 15 22.358 1.924 0.980 0.656 1.000 0.857 CB 1.357 Z: 95 64.768 2.196 0.993 0.559 0.947 0.702 CB 1.522 95 residues pruned to eliminate duplicates Z: 16 32.251 2.222 0.834 0.903 0.933 0.867 CB 1.560 16 residues pruned to eliminate duplicates Z: 33 23.780 2.057 0.949 0.457 0.844 0.594 CB 1.299 33 residues pruned to eliminate duplicates Z: 14 34.952 2.144 1.005 0.905 1.000 0.923 CB 1.605 14 residues pruned to eliminate duplicates Z: 11 42.279 2.413 1.298 0.932 1.000 1.000 CA 1.684 11 residues pruned to eliminate duplicates Z: 15 29.751 2.053 1.133 0.798 0.929 0.714 CB 1.507 15 residues pruned to eliminate duplicates Z: 94 56.812 2.142 0.915 0.546 0.925 0.656 CB 1.485 42 residues pruned to eliminate duplicates Z: 94 65.876 2.220 0.995 0.556 0.957 0.720 CB 1.527 94 residues pruned to eliminate duplicates Z: 24 21.203 2.056 1.012 0.360 0.826 0.478 CB 1.504 24 residues pruned to eliminate duplicates Z: 76 49.831 2.183 0.851 0.557 0.920 0.627 CB 1.464 77 residues pruned to eliminate duplicates Z: 65 38.273 2.163 0.781 0.499 0.875 0.656 CB 1.421 50 residues pruned to eliminate duplicates Z: 29 23.160 2.058 1.092 0.434 0.821 0.643 CB 1.325 Z: 26 20.963 2.043 1.010 0.423 0.920 0.680 CB 1.202 24 residues pruned to eliminate duplicates Z: 15 37.554 2.278 1.019 0.926 0.929 0.929 CB 1.648 15 residues pruned to eliminate duplicates Z: 17 17.490 1.992 0.899 0.382 0.938 0.438 CB 1.398 17 residues pruned to eliminate duplicates Z: 12 29.432 2.220 0.880 0.925 1.000 0.909 CA 1.492 12 residues pruned to eliminate duplicates Z: 14 30.815 2.074 0.949 0.878 1.000 0.769 CB 1.535 14 residues pruned to eliminate duplicates Z: 14 32.754 2.275 0.780 0.945 1.000 1.000 CB 1.552 14 residues pruned to eliminate duplicates Z: 16 28.500 2.168 0.750 0.886 0.933 0.733 CA 1.500 16 residues pruned to eliminate duplicates Z: 21 26.837 2.057 0.867 0.545 0.950 0.650 CB 1.574 21 residues pruned to eliminate duplicates Z: 12 35.874 2.337 1.208 0.863 1.000 0.909 CA 1.538 12 residues pruned to eliminate duplicates Z: 11 37.141 2.375 1.059 0.923 1.000 0.800 CB 1.688 11 residues pruned to eliminate duplicates Z: 23 20.387 2.145 0.960 0.371 0.909 0.545 CB 1.306 23 residues pruned to eliminate duplicates Z: 12 23.654 2.242 0.517 0.918 1.000 0.727 CA 1.480 12 residues pruned to eliminate duplicates Z: 71 42.822 2.131 0.993 0.529 0.900 0.686 CB 1.301 47 residues pruned to eliminate duplicates Z: 15 28.778 2.016 1.061 0.834 0.929 0.857 CB 1.495 15 residues pruned to eliminate duplicates Z: 95 53.958 2.148 0.901 0.554 0.926 0.713 CB 1.397 65 residues pruned to eliminate duplicates Z: 48 52.882 2.204 1.161 0.546 0.957 0.787 CB 1.617 48 residues pruned to eliminate duplicates Z: 80 49.756 2.103 0.877 0.539 0.924 0.696 CB 1.478 81 residues pruned to eliminate duplicates Z: 15 34.154 2.119 0.982 0.837 1.000 0.786 CB 1.624 15 residues pruned to eliminate duplicates Z: 19 16.813 2.019 0.983 0.483 0.833 0.667 CB 1.208 19 residues pruned to eliminate duplicates Z: 76 60.996 2.203 1.109 0.557 0.947 0.680 CB 1.514 76 residues pruned to eliminate duplicates Z: 12 40.451 2.255 1.376 0.924 1.000 0.818 CA 1.598 12 residues pruned to eliminate duplicates Z: 13 17.814 2.044 0.956 0.523 0.917 0.833 CB 1.372 15 residues pruned to eliminate duplicates Z: 14 20.662 1.868 0.671 0.859 1.000 0.846 CB 1.351 14 residues pruned to eliminate duplicates Z: 16 33.268 2.195 0.941 0.901 0.933 0.600 CA 1.541 16 residues pruned to eliminate duplicates Z: 79 48.151 2.097 0.934 0.496 0.923 0.628 CB 1.462 79 residues pruned to eliminate duplicates Z: 16 34.343 2.185 0.862 0.928 1.000 0.933 CA 1.526 16 residues pruned to eliminate duplicates Z: 14 24.506 2.005 0.931 0.910 0.923 0.615 CB 1.349 14 residues pruned to eliminate duplicates Z: 14 14.957 1.852 0.867 0.551 0.923 0.846 CB 1.237 14 residues pruned to eliminate duplicates Z: 52 37.259 2.059 0.784 0.541 0.922 0.627 CB 1.480 52 residues pruned to eliminate duplicates Z: 15 37.025 2.040 1.329 0.867 1.000 0.786 CB 1.524 15 residues pruned to eliminate duplicates Z: 17 15.803 2.087 0.741 0.497 0.875 0.625 CB 1.246 17 residues pruned to eliminate duplicates Z: 15 36.794 2.008 1.287 0.888 1.000 0.857 CB 1.543 15 residues pruned to eliminate duplicates Z: 30 20.455 1.972 0.937 0.428 0.897 0.621 CB 1.195 25 residues pruned to eliminate duplicates Z: 12 19.089 2.022 0.894 0.683 0.909 0.909 CB 1.398 12 residues pruned to eliminate duplicates Z: 13 32.004 2.251 0.878 0.832 1.000 0.750 CB 1.640 13 residues pruned to eliminate duplicates Z: 16 17.444 2.116 0.847 0.534 0.867 0.667 CB 1.286 16 residues pruned to eliminate duplicates Z: 79 51.385 2.122 0.866 0.552 0.936 0.692 CB 1.493 79 residues pruned to eliminate duplicates Z: 94 49.970 2.099 0.867 0.538 0.903 0.613 CB 1.410 94 residues pruned to eliminate duplicates Z: 13 16.388 1.967 0.865 0.578 0.833 0.667 CB 1.435 13 residues pruned to eliminate duplicates Z: 55 47.060 2.208 0.932 0.506 0.926 0.685 CB 1.612 55 residues pruned to eliminate duplicates Z: 6 7.130 1.781 0.091 0.739 1.000 0.400 CA 1.324 6 residues pruned to eliminate duplicates Z: 15 15.186 1.988 0.901 0.429 0.857 0.643 CB 1.348 15 residues pruned to eliminate duplicates Z: 10 19.114 2.058 1.151 0.690 1.000 0.778 CB 1.210 Z: 94 62.434 2.206 0.973 0.547 0.946 0.624 CB 1.501 94 residues pruned to eliminate duplicates Z: 94 57.171 2.160 0.893 0.554 0.957 0.667 CB 1.438 94 residues pruned to eliminate duplicates Z: 8 10.058 1.924 1.198 0.413 0.857 0.714 CA 1.149 8 residues pruned to eliminate duplicates Z: 94 53.551 2.150 0.837 0.550 0.935 0.667 CB 1.431 94 residues pruned to eliminate duplicates Z: 19 27.253 2.046 0.663 0.801 1.000 0.833 CB 1.451 19 residues pruned to eliminate duplicates Z: 14 35.652 2.088 1.190 0.848 1.000 0.692 CB 1.604 14 residues pruned to eliminate duplicates Z: 29 26.592 2.111 0.967 0.500 0.929 0.500 CB 1.303 29 residues pruned to eliminate duplicates Z: 15 32.181 2.160 0.873 0.947 1.000 0.929 CB 1.468 15 residues pruned to eliminate duplicates Z: 15 27.140 2.260 0.472 0.932 1.000 0.786 CB 1.523 15 residues pruned to eliminate duplicates Z: 93 60.221 2.157 0.965 0.552 0.946 0.663 CB 1.489 93 residues pruned to eliminate duplicates Z: 61 51.500 2.183 1.064 0.543 0.950 0.683 CB 1.489 61 residues pruned to eliminate duplicates Z: 40 37.246 2.091 0.949 0.524 0.949 0.462 CB 1.507 40 residues pruned to eliminate duplicates Z: 15 27.642 2.243 0.452 0.912 1.000 0.857 CB 1.606 15 residues pruned to eliminate duplicates Z: 30 25.215 2.056 0.755 0.512 0.931 0.655 CB 1.377 30 residues pruned to eliminate duplicates Z: 13 19.809 1.919 0.969 0.731 0.917 0.833 CB 1.341 13 residues pruned to eliminate duplicates Z: 15 32.167 2.021 1.086 0.885 1.000 0.929 CB 1.473 15 residues pruned to eliminate duplicates Z: 31 22.366 2.069 0.953 0.382 0.900 0.567 CB 1.274 20 residues pruned to eliminate duplicates Z: 94 50.285 2.133 0.818 0.549 0.914 0.634 CB 1.402 94 residues pruned to eliminate duplicates Z: 32 33.297 2.022 0.847 0.616 1.000 0.774 CB 1.434 32 residues pruned to eliminate duplicates Z: 50 37.245 2.063 0.896 0.526 0.959 0.673 CB 1.382 50 residues pruned to eliminate duplicates Z: 62 44.019 2.166 0.912 0.532 0.885 0.639 CB 1.490 62 residues pruned to eliminate duplicates Z: 16 25.042 2.164 0.398 0.917 1.000 1.000 CB 1.508 16 residues pruned to eliminate duplicates Z: 24 17.525 2.093 0.761 0.430 0.913 0.696 CB 1.167 24 residues pruned to eliminate duplicates Z: 62 46.453 2.169 0.983 0.525 0.934 0.656 CB 1.444 62 residues pruned to eliminate duplicates Z: 16 33.358 2.231 0.883 0.923 0.933 0.867 CB 1.544 16 residues pruned to eliminate duplicates Z: 19 18.210 1.993 0.937 0.444 0.889 0.611 CB 1.326 19 residues pruned to eliminate duplicates Z: 16 30.545 2.178 0.656 0.932 0.933 0.933 CA 1.636 16 residues pruned to eliminate duplicates Z: 13 30.079 2.223 0.857 0.869 0.917 0.833 CB 1.675 13 residues pruned to eliminate duplicates Z: 16 29.858 2.227 0.724 0.870 0.933 0.667 CB 1.570 16 residues pruned to eliminate duplicates Z: 14 36.152 2.286 0.949 0.948 1.000 0.692 CB 1.554 14 residues pruned to eliminate duplicates Z: 17 20.686 2.071 1.022 0.520 0.938 0.688 CB 1.292 17 residues pruned to eliminate duplicates Z: 64 39.611 2.186 0.710 0.488 0.937 0.651 CB 1.442 64 residues pruned to eliminate duplicates Z: 21 20.237 2.174 0.817 0.395 0.850 0.500 CB 1.506 21 residues pruned to eliminate duplicates Z: 11 17.337 1.977 1.226 0.578 0.900 0.900 CB 1.284 11 residues pruned to eliminate duplicates Z: 81 57.365 2.183 1.045 0.509 0.925 0.637 CB 1.539 81 residues pruned to eliminate duplicates Z: 17 27.708 2.080 0.555 0.930 1.000 0.938 CB 1.498 17 residues pruned to eliminate duplicates Z: 48 53.670 2.227 1.180 0.542 0.957 0.723 CB 1.616 48 residues pruned to eliminate duplicates Z: 12 29.404 2.240 1.116 0.906 1.000 0.818 CB 1.330 12 residues pruned to eliminate duplicates Z: 9 21.943 2.066 1.115 0.848 1.000 1.000 CB 1.317 Z: 95 65.472 2.205 1.015 0.529 0.957 0.734 CB 1.544 95 residues pruned to eliminate duplicates Z: 84 50.393 2.161 1.013 0.543 0.916 0.663 CB 1.331 84 residues pruned to eliminate duplicates Z: 14 34.036 2.174 1.017 0.926 1.000 0.923 CB 1.509 14 residues pruned to eliminate duplicates Z: 26 19.018 1.995 0.795 0.452 0.920 0.680 CB 1.212 26 residues pruned to eliminate duplicates Z: 9 15.373 1.970 1.189 0.646 0.750 0.750 CB 1.467 9 residues pruned to eliminate duplicates Z: 10 13.828 1.870 0.702 0.723 0.889 0.778 CB 1.333 10 residues pruned to eliminate duplicates Z: 14 20.840 2.029 0.752 0.590 1.000 0.769 CB 1.492 15 residues pruned to eliminate duplicates Z: 16 24.910 2.150 0.354 0.935 1.000 1.000 CB 1.539 16 residues pruned to eliminate duplicates Z: 15 30.304 2.268 0.594 0.923 1.000 1.000 CB 1.574 15 residues pruned to eliminate duplicates Z: 15 33.749 2.244 0.807 0.929 1.000 0.929 CB 1.557 15 residues pruned to eliminate duplicates Z: 28 25.332 2.088 0.948 0.483 0.963 0.741 CB 1.266 28 residues pruned to eliminate duplicates Z: 9 16.394 2.030 0.709 0.757 1.000 0.875 CB 1.329 9 residues pruned to eliminate duplicates Z: 16 39.797 2.176 1.130 0.914 1.000 0.733 CA 1.567 16 residues pruned to eliminate duplicates Z: 114 68.236 2.185 1.072 0.530 0.920 0.673 CB 1.496 203 residues pruned to eliminate duplicates Z: 30 31.650 2.207 1.007 0.588 0.862 0.586 CB 1.415 30 residues pruned to eliminate duplicates Z: 16 25.706 2.073 0.739 0.916 0.933 0.867 CB 1.393 Z: 37 43.700 2.137 1.193 0.584 0.917 0.722 CB 1.563 37 residues pruned to eliminate duplicates Z: 16 35.321 2.183 0.803 0.924 1.000 0.867 CB 1.627 16 residues pruned to eliminate duplicates Z: 15 13.841 1.849 0.747 0.528 0.857 0.571 CB 1.300 15 residues pruned to eliminate duplicates Z: 34 28.181 1.985 0.816 0.586 0.970 0.606 CB 1.293 34 residues pruned to eliminate duplicates Z: 14 27.377 2.209 0.716 0.833 0.923 0.923 CB 1.628 14 residues pruned to eliminate duplicates Z: 14 21.450 1.952 1.074 0.571 0.923 0.769 CB 1.486 14 residues pruned to eliminate duplicates Z: 13 9.945 1.956 0.826 0.466 0.833 0.750 CB 0.999 Z: 20 25.588 2.019 0.952 0.519 0.947 0.684 CB 1.542 20 residues pruned to eliminate duplicates Z: 16 28.932 2.212 0.506 0.921 1.000 0.933 CB 1.577 16 residues pruned to eliminate duplicates Z: 51 37.473 2.159 0.851 0.476 0.920 0.620 CB 1.476 29 residues pruned to eliminate duplicates Z: 35 37.090 2.177 0.938 0.560 0.941 0.676 CB 1.511 35 residues pruned to eliminate duplicates Z: 52 34.953 2.003 0.995 0.482 0.902 0.588 CB 1.383 23 residues pruned to eliminate duplicates Z: 9 17.494 2.041 0.795 0.762 1.000 0.875 CB 1.337 9 residues pruned to eliminate duplicates Z: 17 20.344 2.141 0.987 0.510 0.875 0.688 CB 1.354 17 residues pruned to eliminate duplicates Z: 8 5.201 1.640 0.358 0.416 1.000 0.571 CB 0.963 3 residues pruned to eliminate duplicates Z: 30 24.503 2.097 0.949 0.502 0.897 0.517 CB 1.239 31 residues pruned to eliminate duplicates Z: 17 21.990 2.106 1.039 0.503 1.000 0.688 CB 1.276 17 residues pruned to eliminate duplicates Z: 34 32.159 2.016 0.916 0.593 0.970 0.697 CB 1.366 34 residues pruned to eliminate duplicates Z: 56 45.905 2.249 0.820 0.521 0.982 0.691 CB 1.509 56 residues pruned to eliminate duplicates Z: 49 35.756 2.094 0.788 0.565 0.896 0.562 CB 1.445 49 residues pruned to eliminate duplicates Z: 12 20.680 1.994 0.771 0.652 1.000 0.636 CA 1.533 11 residues pruned to eliminate duplicates Z: 62 41.678 2.160 0.821 0.538 0.885 0.590 CB 1.477 49 residues pruned to eliminate duplicates Z: 15 34.726 2.253 0.893 0.949 1.000 0.857 CB 1.501 15 residues pruned to eliminate duplicates Z: 10 15.596 1.877 1.200 0.657 0.889 0.667 CB 1.224 10 residues pruned to eliminate duplicates Z: 19 16.992 2.125 0.770 0.392 0.778 0.556 CB 1.534 19 residues pruned to eliminate duplicates Z: 72 52.263 2.110 0.985 0.570 0.958 0.634 CB 1.446 73 residues pruned to eliminate duplicates Z: 8 4.719 1.861 0.436 0.455 0.714 0.714 CB 0.979 8 residues pruned to eliminate duplicates Z: 19 19.734 1.861 1.054 0.533 0.833 0.556 CB 1.413 17 residues pruned to eliminate duplicates Z: 69 40.968 2.123 0.860 0.522 0.926 0.632 CB 1.329 69 residues pruned to eliminate duplicates Z: 10 11.873 1.832 0.757 0.888 1.000 0.667 CB 0.885 10 residues pruned to eliminate duplicates Z: 25 18.946 1.780 0.758 0.440 0.917 0.500 CB 1.434 25 residues pruned to eliminate duplicates Z: 13 11.512 1.910 0.865 0.478 0.750 0.667 CB 1.273 13 residues pruned to eliminate duplicates Z: 14 17.935 1.925 0.967 0.522 0.923 0.615 CB 1.393 10 residues pruned to eliminate duplicates Z: 14 18.663 1.841 0.798 0.838 1.000 0.692 CB 1.169 14 residues pruned to eliminate duplicates Z: 16 25.356 2.180 0.424 0.945 1.000 1.000 CB 1.459 16 residues pruned to eliminate duplicates Z: 80 59.742 2.220 0.987 0.522 0.949 0.671 CB 1.571 80 residues pruned to eliminate duplicates Z: 28 26.606 2.097 1.172 0.496 0.852 0.630 CB 1.324 29 residues pruned to eliminate duplicates Z: 16 28.238 2.146 0.646 0.941 1.000 0.867 CB 1.432 16 residues pruned to eliminate duplicates Z: 12 19.820 1.949 0.888 0.648 1.000 0.818 CB 1.414 12 residues pruned to eliminate duplicates Z: 16 25.661 2.064 0.699 0.927 0.933 0.800 CB 1.418 16 residues pruned to eliminate duplicates Z: 10 13.862 1.946 0.881 0.647 0.778 0.667 CB 1.415 10 residues pruned to eliminate duplicates Z: 7 6.373 1.471 0.702 0.603 0.833 0.500 N 1.131 7 residues pruned to eliminate duplicates Z: 14 24.499 2.226 0.432 0.941 1.000 0.923 CB 1.479 14 residues pruned to eliminate duplicates Z: 33 32.929 2.021 0.831 0.630 1.000 0.750 CB 1.392 33 residues pruned to eliminate duplicates Z: 17 30.931 2.093 0.897 0.875 0.938 0.875 CA 1.510 17 residues pruned to eliminate duplicates Z: 15 24.519 2.094 1.320 0.576 0.786 0.714 CB 1.596 18 residues pruned to eliminate duplicates Z: 35 28.315 1.951 0.794 0.590 0.941 0.794 CB 1.352 35 residues pruned to eliminate duplicates Z: 94 53.309 2.131 0.844 0.544 0.925 0.645 CB 1.457 94 residues pruned to eliminate duplicates Z: 81 45.188 2.102 0.865 0.507 0.938 0.600 CB 1.365 81 residues pruned to eliminate duplicates Z: 9 12.539 1.961 1.222 0.420 0.875 0.500 CA 1.263 9 residues pruned to eliminate duplicates Z: 9 13.558 1.871 0.873 0.743 0.875 0.750 CB 1.258 9 residues pruned to eliminate duplicates Z: 18 8.980 1.963 0.724 0.278 0.706 0.471 CB 1.172 18 residues pruned to eliminate duplicates Z: 10 13.613 2.016 0.728 0.672 0.889 0.778 CB 1.250 10 residues pruned to eliminate duplicates Z: 16 21.755 2.075 0.935 0.533 0.933 0.733 CB 1.452 16 residues pruned to eliminate duplicates Z: 11 17.877 2.056 1.139 0.520 0.900 0.700 CB 1.400 11 residues pruned to eliminate duplicates Z: 45 39.448 2.013 1.022 0.543 0.955 0.841 CB 1.466 45 residues pruned to eliminate duplicates Z: 60 49.399 2.184 1.035 0.568 0.966 0.678 CB 1.402 60 residues pruned to eliminate duplicates Z: 17 27.247 2.132 0.572 0.894 0.938 0.812 CB 1.555 17 residues pruned to eliminate duplicates Z: 30 19.829 2.039 0.991 0.370 0.862 0.655 CB 1.209 30 residues pruned to eliminate duplicates Z: 9 15.206 1.969 0.885 0.684 0.875 0.750 CB 1.398 9 residues pruned to eliminate duplicates Z: 31 21.860 1.987 0.921 0.440 0.933 0.633 CB 1.193 31 residues pruned to eliminate duplicates Z: 13 14.527 1.809 0.914 0.608 0.833 0.750 CB 1.312 13 residues pruned to eliminate duplicates Z: 105 66.286 2.186 0.989 0.559 0.923 0.721 CB 1.529 105 residues pruned to eliminate duplicates Z: 19 19.749 1.960 1.125 0.518 0.889 0.611 CB 1.235 19 residues pruned to eliminate duplicates Z: 12 19.622 1.882 1.121 0.873 1.000 0.909 CB 1.079 12 residues pruned to eliminate duplicates Z: 15 16.137 1.748 0.474 0.886 1.000 0.929 CB 1.208 15 residues pruned to eliminate duplicates Z: 11 21.705 2.188 1.107 0.676 0.900 0.700 CB 1.407 11 residues pruned to eliminate duplicates Z: 23 25.997 2.125 1.242 0.472 0.955 0.727 CB 1.254 23 residues pruned to eliminate duplicates Z: 78 52.948 2.095 1.046 0.559 0.935 0.636 CB 1.421 78 residues pruned to eliminate duplicates Z: 11 7.442 1.701 0.526 0.238 0.900 0.200 CB 1.365 11 residues pruned to eliminate duplicates Z: 22 24.908 2.198 1.050 0.504 0.905 0.619 CB 1.329 22 residues pruned to eliminate duplicates Z: 16 31.703 2.160 0.772 0.949 1.000 0.800 CB 1.476 16 residues pruned to eliminate duplicates Z: 15 24.897 2.111 0.675 0.922 1.000 0.786 CB 1.324 15 residues pruned to eliminate duplicates Z: 26 24.811 2.148 0.909 0.404 0.920 0.600 CB 1.455 26 residues pruned to eliminate duplicates Z: 15 27.146 2.119 0.698 0.918 1.000 0.500 CB 1.422 15 residues pruned to eliminate duplicates Z: 9 13.126 1.982 0.680 0.619 0.875 0.750 CB 1.422 9 residues pruned to eliminate duplicates Z: 46 39.250 2.100 1.014 0.553 0.889 0.533 CB 1.477 46 residues pruned to eliminate duplicates Z: 15 24.947 2.233 0.378 0.930 1.000 0.857 CB 1.515 15 residues pruned to eliminate duplicates Z: 16 31.281 2.191 0.815 0.932 1.000 0.733 CB 1.419 16 residues pruned to eliminate duplicates Z: 10 13.232 1.866 1.255 0.345 0.889 0.556 CB 1.397 10 residues pruned to eliminate duplicates Z: 16 38.606 2.168 1.047 0.934 1.000 0.867 CB 1.566 16 residues pruned to eliminate duplicates Z: 38 25.332 1.956 0.804 0.532 0.919 0.622 CB 1.244 38 residues pruned to eliminate duplicates Z: 45 35.215 2.064 0.895 0.562 0.955 0.750 CB 1.338 45 residues pruned to eliminate duplicates Z: 23 20.892 2.073 0.981 0.491 0.909 0.818 CB 1.203 23 residues pruned to eliminate duplicates Z: 48 31.929 2.073 0.951 0.520 0.915 0.638 CB 1.233 48 residues pruned to eliminate duplicates Z: 6 14.460 2.074 1.414 0.605 0.800 0.400 CA 1.461 8 residues pruned to eliminate duplicates Z: 15 24.185 2.215 0.428 0.918 1.000 0.857 CB 1.441 15 residues pruned to eliminate duplicates Z: 27 29.340 2.075 1.244 0.524 0.923 0.692 CB 1.308 27 residues pruned to eliminate duplicates Z: 14 23.316 1.857 1.044 0.851 1.000 0.923 CB 1.261 14 residues pruned to eliminate duplicates Z: 34 22.906 1.923 1.086 0.459 0.909 0.545 CB 1.141 34 residues pruned to eliminate duplicates Z: 18 30.004 2.120 1.234 0.579 0.882 0.824 CB 1.614 18 residues pruned to eliminate duplicates Z: 11 14.652 1.777 0.603 0.927 1.000 0.800 CB 1.140 11 residues pruned to eliminate duplicates Z: 16 28.460 2.042 0.819 0.907 1.000 0.933 CB 1.406 16 residues pruned to eliminate duplicates Z: 15 29.376 2.128 1.066 0.942 0.929 0.929 CB 1.334 15 residues pruned to eliminate duplicates Z: 61 39.601 2.111 0.891 0.536 0.950 0.633 CB 1.301 61 residues pruned to eliminate duplicates Z: 6 2.983 1.152 0.483 0.650 0.800 0.600 C 0.849 Z: 17 11.623 2.033 0.723 0.467 0.875 0.688 CB 0.980 17 residues pruned to eliminate duplicates Z: 19 22.389 2.034 1.167 0.552 0.889 0.611 CB 1.280 19 residues pruned to eliminate duplicates Z: 8 3.721 1.534 0.098 0.331 0.857 0.429 C 1.172 8 residues pruned to eliminate duplicates Z: 9 17.461 2.071 0.919 0.649 0.875 0.875 CB 1.545 9 residues pruned to eliminate duplicates Z: 35 27.443 1.983 0.822 0.592 0.971 0.676 CB 1.229 35 residues pruned to eliminate duplicates Z: 16 27.079 2.078 0.638 0.933 1.000 0.933 CB 1.433 16 residues pruned to eliminate duplicates Z: 8 3.890 1.784 0.386 0.394 0.857 0.571 CB 0.776 8 residues pruned to eliminate duplicates Z: 15 31.526 2.098 0.862 0.933 1.000 0.714 CB 1.505 15 residues pruned to eliminate duplicates Z: 14 21.106 1.806 1.091 0.836 0.923 0.692 CB 1.257 14 residues pruned to eliminate duplicates Z: 28 16.331 1.846 1.058 0.367 0.852 0.556 CB 1.120 28 residues pruned to eliminate duplicates Z: 25 20.011 2.057 0.786 0.466 0.958 0.708 CB 1.201 25 residues pruned to eliminate duplicates Z: 9 13.900 1.967 1.179 0.633 0.875 0.625 CB 1.157 9 residues pruned to eliminate duplicates Z: 19 38.812 2.148 1.301 0.732 0.944 0.667 CB 1.591 19 residues pruned to eliminate duplicates Z: 10 6.439 1.750 0.399 0.472 0.889 0.667 CB 1.015 10 residues pruned to eliminate duplicates Z: 94 49.907 2.126 0.822 0.519 0.946 0.645 CB 1.385 94 residues pruned to eliminate duplicates Z: 16 27.624 2.074 0.612 0.933 1.000 0.867 CA 1.489 16 residues pruned to eliminate duplicates Z: 10 8.838 1.762 0.945 0.716 0.889 0.778 CB 0.795 Z: 16 39.748 2.189 1.045 0.927 1.000 0.733 CB 1.606 16 residues pruned to eliminate duplicates Z: 44 34.822 2.025 0.993 0.488 0.907 0.512 CB 1.468 44 residues pruned to eliminate duplicates Z: 21 22.206 1.927 1.075 0.403 1.000 0.700 CB 1.375 20 residues pruned to eliminate duplicates Z: 15 17.213 1.983 0.701 0.536 1.000 0.714 CB 1.316 14 residues pruned to eliminate duplicates Z: 9 10.148 1.747 0.789 0.607 0.750 0.750 C 1.383 9 residues pruned to eliminate duplicates Z: 51 34.381 2.141 0.880 0.435 0.920 0.560 CB 1.404 51 residues pruned to eliminate duplicates Z: 13 19.440 1.834 0.860 0.801 1.000 0.750 CB 1.264 13 residues pruned to eliminate duplicates Z: 6 4.721 1.687 0.520 0.644 1.000 1.000 CB 0.720 Z: 51 40.169 2.062 1.145 0.503 0.940 0.700 CB 1.362 51 residues pruned to eliminate duplicates Z: 14 14.188 1.785 0.375 0.855 1.000 0.846 CB 1.184 14 residues pruned to eliminate duplicates Z: 16 24.855 2.042 0.593 0.940 1.000 0.867 CB 1.370 16 residues pruned to eliminate duplicates Z: 95 65.764 2.199 1.080 0.546 0.936 0.670 CB 1.515 95 residues pruned to eliminate duplicates Z: 43 41.555 2.189 0.985 0.534 0.929 0.643 CB 1.537 43 residues pruned to eliminate duplicates Z: 20 25.047 2.034 0.834 0.505 1.000 0.895 CA 1.532 20 residues pruned to eliminate duplicates Z: 11 34.670 2.381 1.231 0.856 1.000 0.500 CB 1.522 11 residues pruned to eliminate duplicates Z: 51 40.438 2.108 0.993 0.542 0.940 0.680 CB 1.390 51 residues pruned to eliminate duplicates Z: 26 27.755 2.093 1.245 0.495 1.000 0.720 CB 1.187 26 residues pruned to eliminate duplicates Z: 18 17.773 1.956 0.952 0.444 0.882 0.588 CB 1.354 18 residues pruned to eliminate duplicates Z: 14 20.101 1.858 0.647 0.883 1.000 0.846 CB 1.317 14 residues pruned to eliminate duplicates Z: 47 29.395 1.906 0.896 0.509 0.935 0.630 CB 1.271 47 residues pruned to eliminate duplicates Z: 6 7.586 1.718 0.539 0.477 1.000 0.600 N 1.314 6 residues pruned to eliminate duplicates Z: 93 55.271 2.143 0.894 0.557 0.913 0.663 CB 1.470 93 residues pruned to eliminate duplicates Z: 47 29.456 2.114 0.755 0.472 0.870 0.522 CB 1.385 47 residues pruned to eliminate duplicates Z: 14 13.380 1.630 0.576 0.853 1.000 0.692 CB 1.067 14 residues pruned to eliminate duplicates Z: 30 25.582 2.082 1.042 0.450 0.897 0.655 CB 1.313 29 residues pruned to eliminate duplicates Z: 16 21.911 2.041 0.596 0.904 0.933 0.667 CB 1.325 16 residues pruned to eliminate duplicates Z: 13 14.659 1.967 0.606 0.497 0.917 0.750 CB 1.466 13 residues pruned to eliminate duplicates Z: 18 27.779 2.212 0.853 0.684 0.882 0.765 CB 1.574 18 residues pruned to eliminate duplicates Z: 46 34.604 2.061 0.913 0.512 0.956 0.511 CB 1.353 46 residues pruned to eliminate duplicates Z: 58 35.191 2.070 0.843 0.484 0.930 0.649 CB 1.336 58 residues pruned to eliminate duplicates Z: 14 14.278 1.916 0.715 0.512 0.846 0.769 CB 1.408 14 residues pruned to eliminate duplicates Z: 9 3.969 1.601 0.030 0.502 0.875 0.625 CB 0.971 9 residues pruned to eliminate duplicates Z: 12 16.439 1.818 0.720 0.652 1.000 0.636 CB 1.376 12 residues pruned to eliminate duplicates Z: 13 14.860 1.828 0.738 0.569 1.000 0.833 CB 1.263 13 residues pruned to eliminate duplicates Z: 12 11.950 1.795 0.594 0.604 0.909 0.818 CB 1.254 12 residues pruned to eliminate duplicates Z: 7 4.401 1.784 0.262 0.316 0.833 0.667 CB 1.174 7 residues pruned to eliminate duplicates Z: 46 38.886 2.088 0.983 0.525 0.911 0.556 CB 1.499 46 residues pruned to eliminate duplicates Z: 69 57.565 2.195 1.133 0.546 0.971 0.603 CB 1.469 69 residues pruned to eliminate duplicates Z: 50 39.175 2.140 0.911 0.546 0.918 0.531 CB 1.424 50 residues pruned to eliminate duplicates Z: 80 59.167 2.197 1.034 0.542 0.924 0.709 CB 1.546 80 residues pruned to eliminate duplicates Z: 9 5.279 1.502 0.178 0.448 1.000 0.750 CB 1.113 9 residues pruned to eliminate duplicates Z: 14 23.156 1.796 1.081 0.858 1.000 0.846 CB 1.265 14 residues pruned to eliminate duplicates Z: 7 5.787 2.048 0.476 0.333 0.833 0.833 CB 1.126 7 residues pruned to eliminate duplicates Z: 14 11.057 1.886 0.727 0.383 0.846 0.462 CB 1.260 16 residues pruned to eliminate duplicates Z: 13 17.589 1.796 0.571 0.921 1.000 1.000 CB 1.267 13 residues pruned to eliminate duplicates Z: 14 24.779 1.889 1.052 0.868 1.000 0.923 CB 1.296 14 residues pruned to eliminate duplicates Z: 6 6.141 1.506 0.455 0.706 1.000 1.000 CA 1.039 6 residues pruned to eliminate duplicates Z: 43 34.659 2.126 0.906 0.484 0.905 0.548 CB 1.482 43 residues pruned to eliminate duplicates Z: 11 11.090 1.869 0.378 0.631 1.000 0.900 CB 1.204 11 residues pruned to eliminate duplicates Z: 6 8.592 2.118 0.580 0.348 1.000 1.000 CB 1.353 6 residues pruned to eliminate duplicates Z: 16 33.608 2.057 0.974 0.957 1.000 0.867 CB 1.466 16 residues pruned to eliminate duplicates Z: 12 16.641 2.011 0.917 0.550 0.909 0.727 CB 1.363 12 residues pruned to eliminate duplicates Z: 39 38.200 2.103 0.908 0.583 0.947 0.553 CB 1.506 39 residues pruned to eliminate duplicates Z: 17 25.154 2.152 0.894 0.685 0.938 0.625 CB 1.389 17 residues pruned to eliminate duplicates Z: 13 27.747 2.222 1.132 0.770 0.917 0.500 CA 1.453 13 residues pruned to eliminate duplicates Z: 59 45.315 2.232 0.844 0.520 0.948 0.621 CB 1.496 59 residues pruned to eliminate duplicates Z: 73 47.496 2.135 0.872 0.534 0.931 0.667 CB 1.456 73 residues pruned to eliminate duplicates Z: 12 13.307 1.928 0.703 0.524 0.909 0.545 CB 1.312 12 residues pruned to eliminate duplicates Z: 13 9.838 1.830 0.850 0.322 0.833 0.417 CB 1.225 13 residues pruned to eliminate duplicates Z: 69 52.591 2.160 1.074 0.558 0.912 0.721 CB 1.476 94 residues pruned to eliminate duplicates Z: 60 44.330 2.215 0.827 0.535 0.949 0.627 CB 1.452 60 residues pruned to eliminate duplicates Z: 8 6.282 1.601 0.384 0.370 1.000 0.429 CB 1.231 8 residues pruned to eliminate duplicates Z: 20 13.368 1.885 0.536 0.393 0.895 0.579 CB 1.327 20 residues pruned to eliminate duplicates Z: 22 13.649 1.868 0.884 0.400 0.857 0.571 CB 1.097 Z: 8 8.852 1.921 1.127 0.505 0.714 0.714 CB 1.141 8 residues pruned to eliminate duplicates Z: 15 32.162 2.290 0.693 0.932 1.000 0.929 CB 1.549 15 residues pruned to eliminate duplicates Z: 70 57.262 2.199 1.081 0.568 0.928 0.681 CB 1.521 163 residues pruned to eliminate duplicates Z: 11 19.295 1.936 0.975 0.730 1.000 1.000 CB 1.297 11 residues pruned to eliminate duplicates Z: 32 22.091 1.988 1.006 0.453 0.903 0.581 CB 1.156 32 residues pruned to eliminate duplicates Z: 15 29.884 2.137 0.841 0.929 1.000 0.929 CB 1.420 Z: 14 15.888 1.785 0.720 0.795 0.923 0.615 CB 1.201 Z: 25 16.379 1.871 0.642 0.406 0.917 0.458 CB 1.310 5 residues pruned to eliminate duplicates Z: 62 49.746 2.193 0.953 0.539 0.984 0.623 CB 1.456 62 residues pruned to eliminate duplicates Z: 31 26.957 1.960 0.744 0.630 0.967 0.767 CB 1.318 16 residues pruned to eliminate duplicates Z: 94 52.672 2.133 0.894 0.557 0.935 0.677 CB 1.367 94 residues pruned to eliminate duplicates Z: 49 37.698 2.171 0.938 0.507 0.917 0.688 CB 1.401 49 residues pruned to eliminate duplicates Z: 94 52.567 2.089 0.841 0.551 0.946 0.634 CB 1.425 94 residues pruned to eliminate duplicates Z: 25 21.827 1.916 0.826 0.454 0.917 0.708 CB 1.457 25 residues pruned to eliminate duplicates Z: 16 19.625 2.020 0.704 0.578 1.000 0.733 CB 1.366 16 residues pruned to eliminate duplicates Z: 49 36.332 2.109 0.872 0.551 0.938 0.688 CB 1.348 49 residues pruned to eliminate duplicates Z: 19 11.888 1.930 0.887 0.361 0.833 0.500 CB 1.073 19 residues pruned to eliminate duplicates Z: 12 17.644 1.872 0.813 0.604 1.000 0.727 CB 1.420 12 residues pruned to eliminate duplicates Z: 14 17.967 1.779 0.856 0.842 1.000 0.923 CB 1.125 14 residues pruned to eliminate duplicates Z: 10 10.505 2.011 0.819 0.306 0.889 0.556 CB 1.336 Z: 19 27.742 2.112 1.136 0.495 0.889 0.722 CB 1.638 18 residues pruned to eliminate duplicates Z: 15 29.910 2.019 0.936 0.885 1.000 0.643 CB 1.476 15 residues pruned to eliminate duplicates Z: 15 20.736 1.969 0.687 0.516 1.000 0.786 CA 1.642 14 residues pruned to eliminate duplicates Z: 62 46.791 2.180 0.987 0.498 0.951 0.656 CB 1.458 62 residues pruned to eliminate duplicates Z: 70 48.131 2.143 0.936 0.559 0.899 0.667 CB 1.467 56 residues pruned to eliminate duplicates Z: 11 22.278 2.260 0.705 0.824 0.900 0.900 CA 1.535 11 residues pruned to eliminate duplicates Z: 50 36.914 2.207 0.693 0.534 0.959 0.694 CB 1.424 50 residues pruned to eliminate duplicates Z: 18 16.491 1.844 1.059 0.503 0.941 0.706 CB 1.116 18 residues pruned to eliminate duplicates Z: 22 26.001 2.116 1.185 0.506 0.952 0.619 CB 1.281 22 residues pruned to eliminate duplicates Z: 26 19.693 1.954 1.016 0.326 0.880 0.600 CB 1.375 26 residues pruned to eliminate duplicates Z: 8 12.313 1.931 0.603 0.841 1.000 0.857 CB 1.121 8 residues pruned to eliminate duplicates Z: 13 15.818 1.845 0.645 0.807 1.000 0.917 CB 1.152 13 residues pruned to eliminate duplicates Z: 85 44.754 2.113 0.921 0.490 0.893 0.560 CB 1.361 85 residues pruned to eliminate duplicates Z: 8 4.985 1.583 0.542 0.454 0.714 0.714 CB 1.133 8 residues pruned to eliminate duplicates Z: 11 15.977 1.955 1.081 0.599 0.800 0.700 CB 1.413 11 residues pruned to eliminate duplicates Z: 28 33.499 2.110 1.183 0.538 0.889 0.593 CB 1.517 28 residues pruned to eliminate duplicates Z: 68 43.367 2.174 0.764 0.519 0.925 0.642 CB 1.465 68 residues pruned to eliminate duplicates Z: 15 13.527 1.812 0.828 0.438 0.857 0.857 CB 1.357 15 residues pruned to eliminate duplicates Z: 33 36.851 2.012 0.988 0.618 1.000 0.625 CB 1.456 30 residues pruned to eliminate duplicates Z: 92 46.341 2.107 0.837 0.510 0.923 0.648 CB 1.346 92 residues pruned to eliminate duplicates Z: 15 20.399 1.735 0.935 0.861 1.000 0.786 CB 1.193 15 residues pruned to eliminate duplicates Z: 81 52.622 2.145 0.950 0.555 0.913 0.688 CB 1.461 115 residues pruned to eliminate duplicates Z: 6 3.318 1.547 0.038 0.460 0.800 0.800 CA 1.202 Z: 11 8.528 1.706 1.125 0.542 0.900 0.700 CB 0.793 11 residues pruned to eliminate duplicates Z: 54 39.214 2.190 0.817 0.545 0.925 0.566 CB 1.401 54 residues pruned to eliminate duplicates Z: 11 23.659 1.895 1.221 0.715 1.000 0.600 CA 1.463 6 residues pruned to eliminate duplicates Z: 50 27.070 1.977 0.909 0.477 0.837 0.469 CB 1.253 50 residues pruned to eliminate duplicates Z: 7 2.777 1.501 0.140 0.543 0.667 0.500 CB 0.953 Z: 23 21.615 2.024 1.107 0.426 0.864 0.545 CB 1.352 23 residues pruned to eliminate duplicates Z: 14 15.441 1.947 0.619 0.555 0.923 0.692 CB 1.395 14 residues pruned to eliminate duplicates Z: 43 35.467 2.108 0.786 0.612 0.929 0.643 CB 1.407 43 residues pruned to eliminate duplicates Z: 13 6.999 1.728 0.543 0.244 0.750 0.417 CB 1.357 20 residues pruned to eliminate duplicates Z: 10 10.252 1.878 0.362 0.611 1.000 0.667 CA 1.202 10 residues pruned to eliminate duplicates 6 1.660 1.071 0.000 0.531 0.800 0.600 O 0.840 ? Z: 43 31.869 1.996 0.869 0.548 0.905 0.571 CB 1.390 43 residues pruned to eliminate duplicates Z: 11 12.101 1.903 0.516 0.655 0.900 0.800 CB 1.277 11 residues pruned to eliminate duplicates Z: 29 23.280 2.073 0.874 0.447 0.929 0.679 CB 1.288 26 residues pruned to eliminate duplicates Z: 42 35.991 2.172 0.770 0.594 0.927 0.585 CB 1.442 42 residues pruned to eliminate duplicates Z: 17 27.411 2.077 0.833 0.885 0.938 0.562 CB 1.386 17 residues pruned to eliminate duplicates Z: 81 59.419 2.191 0.962 0.533 0.963 0.738 CB 1.554 81 residues pruned to eliminate duplicates Z: 7 2.744 1.649 0.045 0.455 0.833 0.500 CB 0.817 7 residues pruned to eliminate duplicates Z: 43 44.083 2.145 1.015 0.568 0.976 0.690 CB 1.508 43 residues pruned to eliminate duplicates Z: 16 33.731 2.157 0.845 0.933 1.000 0.800 CB 1.527 16 residues pruned to eliminate duplicates Z: 20 15.012 1.903 0.784 0.327 0.789 0.526 CB 1.553 20 residues pruned to eliminate duplicates Z: 65 52.784 2.158 1.172 0.514 0.906 0.672 CB 1.532 65 residues pruned to eliminate duplicates Z: 18 10.985 1.775 0.905 0.439 0.765 0.647 CB 1.097 18 residues pruned to eliminate duplicates Z: 15 30.285 2.060 0.968 0.830 0.929 0.786 CB 1.617 15 residues pruned to eliminate duplicates Z: 81 58.496 2.191 1.033 0.534 0.900 0.713 CB 1.578 81 residues pruned to eliminate duplicates Z: 15 12.042 1.864 0.755 0.464 0.929 0.714 CB 1.099 15 residues pruned to eliminate duplicates Z: 9 10.203 1.985 0.297 0.602 1.000 0.625 CB 1.272 9 residues pruned to eliminate duplicates Z: 9 11.404 1.758 0.802 0.682 1.000 0.625 N 1.077 Z: 6 2.888 1.366 0.490 0.357 0.800 0.800 N 0.926 Z: 27 21.243 1.891 0.959 0.376 0.885 0.500 CA 1.452 27 residues pruned to eliminate duplicates Z: 13 9.658 1.780 0.709 0.522 1.000 0.667 CB 0.896 13 residues pruned to eliminate duplicates Z: 13 20.706 1.875 0.848 0.875 1.000 0.833 CB 1.254 Z: 15 16.542 1.757 0.853 0.799 0.929 0.857 CB 1.126 15 residues pruned to eliminate duplicates Z: 51 35.843 2.070 1.016 0.466 0.880 0.520 CB 1.429 51 residues pruned to eliminate duplicates Z: 13 7.712 1.769 0.882 0.249 0.750 0.417 CB 1.190 13 residues pruned to eliminate duplicates Z: 24 18.332 1.960 1.090 0.448 0.826 0.696 CB 1.192 24 residues pruned to eliminate duplicates Z: 7 7.835 1.785 0.626 0.750 1.000 1.000 CB 0.882 Z: 14 19.546 1.854 1.060 0.820 0.923 0.538 CB 1.165 14 residues pruned to eliminate duplicates Z: 95 52.619 2.110 0.849 0.555 0.947 0.670 CB 1.392 95 residues pruned to eliminate duplicates Z: 70 53.467 2.107 1.082 0.589 0.957 0.681 CB 1.408 70 residues pruned to eliminate duplicates Z: 9 13.615 2.097 0.482 0.654 0.875 0.875 CA 1.534 9 residues pruned to eliminate duplicates Z: 6 9.094 1.629 0.621 0.667 1.000 1.000 C 1.319 6 residues pruned to eliminate duplicates Z: 11 14.776 1.577 1.210 0.619 1.000 0.600 CA 1.197 11 residues pruned to eliminate duplicates Z: 7 2.453 1.198 0.724 0.244 0.833 0.333 N 0.782 388 residues left after pruning, divided into chains as follows: A: 13 B: 6 C: 12 D: 29 E: 195 F: 13 G: 120 CC for partial structure against native data = 40.62 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.445, Connect. = 0.736 for dens.mod. cycle 1 = 0.300, Contrast = 0.517, Connect. = 0.764 for dens.mod. cycle 2 = 0.300, Contrast = 0.624, Connect. = 0.791 for dens.mod. cycle 3 = 0.300, Contrast = 0.637, Connect. = 0.793 for dens.mod. cycle 4 = 0.300, Contrast = 0.652, Connect. = 0.795 for dens.mod. cycle 5 = 0.300, Contrast = 0.659, Connect. = 0.797 for dens.mod. cycle 6 = 0.300, Contrast = 0.667, Connect. = 0.798 for dens.mod. cycle 7 = 0.300, Contrast = 0.671, Connect. = 0.799 for dens.mod. cycle 8 = 0.300, Contrast = 0.675, Connect. = 0.800 for dens.mod. cycle 9 = 0.300, Contrast = 0.678, Connect. = 0.800 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2300 peaks > 0.5 sigma used to seed fragment search Space for about 500 unique residues taking solvent into account 538 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 12 31.704 2.287 0.628 0.900 1.000 0.909 CA 1.834 B: 13 26.044 2.259 0.721 0.820 1.000 0.583 CB 1.465 C: 12 29.753 2.298 0.841 0.866 1.000 0.818 CB 1.552 13 residues pruned to eliminate duplicates D: 13 24.832 2.126 0.526 0.890 1.000 0.917 CA 1.590 13 residues pruned to eliminate duplicates E: 13 32.323 2.234 0.777 0.876 1.000 1.000 CA 1.708 13 residues pruned to eliminate duplicates F: 13 42.836 2.332 1.139 0.878 1.000 0.917 CA 1.798 12 residues pruned to eliminate duplicates G: 11 28.895 2.465 0.546 0.840 1.000 0.800 CB 1.788 11 residues pruned to eliminate duplicates H: 14 37.731 2.237 1.154 0.877 1.000 0.846 CB 1.577 14 residues pruned to eliminate duplicates I: 11 30.342 2.416 0.644 0.938 1.000 0.900 CB 1.680 10 residues pruned to eliminate duplicates J: 12 36.611 2.345 0.936 0.914 1.000 1.000 CA 1.719 12 residues pruned to eliminate duplicates K: 15 32.415 2.124 1.075 0.873 0.929 0.786 CB 1.542 L: 14 33.400 2.203 1.232 0.844 0.923 0.846 CA 1.519 M: 14 35.455 2.215 1.179 0.877 0.923 0.846 CB 1.603 14 residues pruned to eliminate duplicates N: 11 15.954 2.296 0.037 0.777 1.000 0.700 CA 1.658 11 residues pruned to eliminate duplicates O: 15 35.439 2.117 1.016 0.872 1.000 0.571 CB 1.618 15 residues pruned to eliminate duplicates P: 16 36.918 2.281 0.626 0.941 1.000 1.000 CA 1.784 Q: 11 38.953 2.471 1.288 0.929 0.900 0.900 CA 1.694 12 residues pruned to eliminate duplicates R: 15 16.578 1.947 0.572 0.582 0.929 0.786 CB 1.442 S: 14 25.079 2.207 0.810 0.775 0.846 0.769 CB 1.614 14 residues pruned to eliminate duplicates T: 12 16.083 2.169 0.113 0.809 1.000 0.818 CB 1.535 12 residues pruned to eliminate duplicates U: 12 38.703 2.308 0.972 0.906 1.000 0.818 CA 1.823 12 residues pruned to eliminate duplicates V: 20 21.940 2.082 0.695 0.486 0.947 0.579 CB 1.527 15 residues pruned to eliminate duplicates W: 15 30.494 2.109 0.905 0.829 0.929 0.929 CB 1.643 15 residues pruned to eliminate duplicates X: 14 25.582 2.235 0.635 0.937 1.000 1.000 CB 1.351 Y: 17 28.812 2.218 0.587 0.878 0.875 0.812 CA 1.697 17 residues pruned to eliminate duplicates Z: 17 31.540 2.213 0.746 0.895 0.875 0.875 CA 1.672 17 residues pruned to eliminate duplicates Z: 95 70.838 2.303 0.866 0.556 0.957 0.691 CB 1.683 29 residues pruned to eliminate duplicates Z: 51 51.718 2.257 1.067 0.493 0.940 0.720 CB 1.680 51 residues pruned to eliminate duplicates Z: 13 34.488 2.312 0.771 0.858 1.000 0.917 CB 1.790 13 residues pruned to eliminate duplicates Z: 36 46.815 2.281 0.861 0.592 1.000 0.800 CB 1.708 35 residues pruned to eliminate duplicates Z: 18 30.184 2.146 0.636 0.882 0.941 0.765 CB 1.603 18 residues pruned to eliminate duplicates Z: 16 37.479 2.303 0.678 0.926 1.000 0.733 CA 1.757 16 residues pruned to eliminate duplicates Z: 16 15.721 1.930 0.731 0.583 0.800 0.667 CB 1.401 16 residues pruned to eliminate duplicates Z: 14 33.059 2.233 0.974 0.882 0.923 0.846 CB 1.631 14 residues pruned to eliminate duplicates Z: 15 17.331 2.060 0.555 0.656 0.857 0.857 CB 1.459 15 residues pruned to eliminate duplicates Z: 16 38.929 2.276 0.835 0.931 1.000 0.800 CA 1.682 16 residues pruned to eliminate duplicates Z: 36 40.464 2.247 0.778 0.625 0.943 0.743 CB 1.615 36 residues pruned to eliminate duplicates Z: 97 69.707 2.289 0.943 0.520 0.938 0.667 CB 1.672 97 residues pruned to eliminate duplicates Z: 15 37.132 2.358 0.765 0.917 1.000 0.857 CA 1.683 15 residues pruned to eliminate duplicates Z: 14 32.633 2.198 0.770 0.869 1.000 0.846 CA 1.699 14 residues pruned to eliminate duplicates Z: 93 61.745 2.252 0.827 0.563 0.957 0.696 CB 1.539 29 residues pruned to eliminate duplicates Z: 59 47.768 2.312 0.714 0.566 0.914 0.741 CB 1.625 27 residues pruned to eliminate duplicates Z: 13 29.122 2.274 0.961 0.838 0.917 0.833 CA 1.537 13 residues pruned to eliminate duplicates Z: 16 29.376 2.170 0.637 0.941 1.000 0.867 CB 1.482 16 residues pruned to eliminate duplicates Z: 30 23.134 2.137 0.680 0.464 0.897 0.690 CB 1.385 Z: 65 47.318 2.266 0.763 0.485 0.938 0.625 CB 1.603 65 residues pruned to eliminate duplicates Z: 16 34.739 2.317 0.691 0.916 0.933 0.933 CA 1.733 16 residues pruned to eliminate duplicates Z: 17 21.612 2.192 0.177 0.876 0.938 0.812 CA 1.624 17 residues pruned to eliminate duplicates Z: 16 38.348 2.295 0.766 0.925 1.000 0.733 CA 1.715 16 residues pruned to eliminate duplicates Z: 94 53.951 2.235 0.773 0.472 0.935 0.645 CB 1.552 74 residues pruned to eliminate duplicates Z: 17 22.279 2.212 0.835 0.525 0.938 0.625 CB 1.427 19 residues pruned to eliminate duplicates Z: 59 52.009 2.313 0.784 0.559 0.948 0.672 CB 1.649 59 residues pruned to eliminate duplicates Z: 14 40.259 2.256 0.972 0.851 1.000 0.923 CB 1.858 14 residues pruned to eliminate duplicates Z: 15 39.504 2.351 0.872 0.931 1.000 0.786 CA 1.676 15 residues pruned to eliminate duplicates Z: 15 25.543 2.169 0.544 0.933 1.000 0.786 CB 1.423 15 residues pruned to eliminate duplicates Z: 21 24.560 2.115 0.888 0.565 0.850 0.500 CB 1.519 21 residues pruned to eliminate duplicates Z: 51 34.457 2.099 0.834 0.424 0.920 0.560 CB 1.488 51 residues pruned to eliminate duplicates Z: 28 24.255 2.175 0.938 0.419 0.815 0.556 CB 1.478 Z: 16 16.685 1.966 0.783 0.505 0.867 0.467 CB 1.411 Z: 9 24.352 2.215 1.079 0.785 1.000 0.875 CB 1.455 16 residues pruned to eliminate duplicates Z: 16 27.813 2.163 0.650 0.919 1.000 0.800 CB 1.418 16 residues pruned to eliminate duplicates Z: 13 19.551 1.992 0.503 0.858 0.917 0.917 CA 1.514 13 residues pruned to eliminate duplicates Z: 17 30.312 2.203 0.564 0.919 0.938 0.812 CA 1.653 17 residues pruned to eliminate duplicates Z: 14 38.795 2.205 1.244 0.859 1.000 0.769 CA 1.600 13 residues pruned to eliminate duplicates Z: 33 25.656 2.103 1.054 0.411 0.844 0.469 CB 1.366 33 residues pruned to eliminate duplicates Z: 81 45.833 2.200 0.730 0.500 0.938 0.700 CB 1.436 81 residues pruned to eliminate duplicates Z: 78 46.381 2.234 0.733 0.405 0.935 0.584 CB 1.612 79 residues pruned to eliminate duplicates Z: 17 11.908 1.870 0.273 0.520 0.938 0.625 CB 1.308 16 residues pruned to eliminate duplicates Z: 96 67.008 2.291 0.768 0.536 0.958 0.632 CB 1.711 96 residues pruned to eliminate duplicates Z: 11 21.047 2.205 1.044 0.621 0.900 0.600 CB 1.463 11 residues pruned to eliminate duplicates Z: 61 46.181 2.254 0.716 0.539 0.933 0.600 CB 1.590 61 residues pruned to eliminate duplicates Z: 74 47.818 2.186 0.813 0.524 0.932 0.575 CB 1.481 76 residues pruned to eliminate duplicates Z: 16 27.639 2.141 0.629 0.945 1.000 0.933 CB 1.417 16 residues pruned to eliminate duplicates Z: 16 25.556 2.141 0.531 0.936 1.000 1.000 CB 1.402 16 residues pruned to eliminate duplicates Z: 17 33.180 2.208 0.745 0.921 0.938 0.875 CA 1.616 17 residues pruned to eliminate duplicates Z: 81 59.054 2.305 0.758 0.500 0.950 0.650 CB 1.716 81 residues pruned to eliminate duplicates Z: 14 31.267 2.305 0.682 0.842 0.923 0.923 CB 1.806 14 residues pruned to eliminate duplicates Z: 15 15.834 1.790 0.530 0.891 1.000 0.857 CB 1.111 Z: 11 13.359 2.042 0.781 0.503 0.900 0.600 CA 1.287 11 residues pruned to eliminate duplicates Z: 16 31.088 2.225 0.675 0.920 0.933 0.867 CB 1.624 16 residues pruned to eliminate duplicates Z: 106 69.400 2.265 0.951 0.510 0.924 0.638 CB 1.642 106 residues pruned to eliminate duplicates Z: 16 13.259 1.896 0.404 0.547 1.000 0.667 CB 1.227 16 residues pruned to eliminate duplicates Z: 14 42.669 2.276 1.124 0.887 1.000 1.000 CA 1.766 14 residues pruned to eliminate duplicates Z: 95 57.602 2.235 0.752 0.552 0.936 0.723 CB 1.540 95 residues pruned to eliminate duplicates Z: 26 22.704 2.003 0.934 0.420 0.880 0.640 CB 1.448 26 residues pruned to eliminate duplicates Z: 14 25.389 2.132 0.648 0.948 1.000 0.846 CB 1.384 14 residues pruned to eliminate duplicates Z: 17 21.048 2.226 0.478 0.469 1.000 0.812 CA 1.649 17 residues pruned to eliminate duplicates Z: 15 29.381 2.127 1.018 0.801 0.929 0.857 CB 1.514 15 residues pruned to eliminate duplicates Z: 42 30.675 2.058 0.927 0.464 0.829 0.634 CB 1.510 42 residues pruned to eliminate duplicates Z: 100 66.301 2.260 0.846 0.534 0.919 0.657 CB 1.681 100 residues pruned to eliminate duplicates Z: 13 17.615 2.034 0.425 0.834 0.833 0.750 CB 1.578 13 residues pruned to eliminate duplicates Z: 90 52.271 2.203 0.780 0.514 0.921 0.685 CB 1.513 76 residues pruned to eliminate duplicates Z: 18 24.943 2.287 0.700 0.479 0.882 0.647 CB 1.801 18 residues pruned to eliminate duplicates Z: 40 37.618 2.202 0.787 0.594 0.923 0.667 CB 1.516 40 residues pruned to eliminate duplicates Z: 16 24.451 2.149 0.519 0.920 0.933 0.733 CB 1.460 16 residues pruned to eliminate duplicates Z: 19 10.918 1.907 0.667 0.352 0.778 0.444 CB 1.222 19 residues pruned to eliminate duplicates Z: 17 23.320 2.245 0.284 0.873 0.938 0.875 CA 1.571 17 residues pruned to eliminate duplicates Z: 17 23.434 2.045 0.734 0.564 1.000 0.812 CB 1.553 16 residues pruned to eliminate duplicates Z: 26 25.954 2.097 0.976 0.444 0.920 0.640 CB 1.442 26 residues pruned to eliminate duplicates Z: 61 41.780 2.224 0.613 0.544 0.933 0.650 CB 1.543 61 residues pruned to eliminate duplicates Z: 16 22.876 2.229 0.204 0.935 0.933 0.867 CA 1.643 16 residues pruned to eliminate duplicates Z: 14 21.288 2.124 0.659 0.879 0.923 0.769 CB 1.316 14 residues pruned to eliminate duplicates Z: 80 67.888 2.321 0.986 0.565 0.924 0.633 CB 1.683 80 residues pruned to eliminate duplicates Z: 9 17.205 2.016 0.751 0.787 1.000 0.875 CB 1.339 9 residues pruned to eliminate duplicates Z: 36 29.032 2.037 0.719 0.590 0.943 0.714 CB 1.364 36 residues pruned to eliminate duplicates Z: 16 33.118 2.286 0.617 0.938 0.933 0.933 CA 1.723 16 residues pruned to eliminate duplicates Z: 17 28.663 2.246 0.554 0.892 0.938 0.875 CA 1.573 17 residues pruned to eliminate duplicates Z: 16 23.683 2.240 0.345 0.893 0.933 0.933 CA 1.561 16 residues pruned to eliminate duplicates Z: 95 66.960 2.280 0.844 0.521 0.936 0.649 CB 1.719 95 residues pruned to eliminate duplicates Z: 92 59.575 2.272 0.792 0.538 0.934 0.703 CB 1.581 92 residues pruned to eliminate duplicates Z: 12 41.659 2.325 1.295 0.930 1.000 0.818 CB 1.646 12 residues pruned to eliminate duplicates Z: 14 15.941 1.938 0.885 0.507 0.923 0.615 CA 1.302 14 residues pruned to eliminate duplicates Z: 16 27.666 2.290 0.626 0.889 0.933 0.667 CB 1.481 16 residues pruned to eliminate duplicates Z: 30 23.160 2.132 0.807 0.434 0.931 0.655 CB 1.284 29 residues pruned to eliminate duplicates Z: 68 46.459 2.258 0.722 0.487 0.940 0.612 CB 1.573 68 residues pruned to eliminate duplicates Z: 15 32.422 2.107 0.956 0.830 0.929 0.714 CA 1.702 15 residues pruned to eliminate duplicates Z: 15 16.835 1.890 0.717 0.603 0.929 0.786 CB 1.354 15 residues pruned to eliminate duplicates Z: 94 52.142 2.219 0.691 0.491 0.935 0.677 CB 1.554 94 residues pruned to eliminate duplicates Z: 60 48.239 2.288 0.731 0.555 0.932 0.695 CB 1.612 60 residues pruned to eliminate duplicates Z: 95 54.639 2.209 0.716 0.539 0.968 0.660 CB 1.478 95 residues pruned to eliminate duplicates Z: 13 19.982 2.053 0.958 0.523 1.000 0.750 CB 1.403 13 residues pruned to eliminate duplicates Z: 29 29.016 2.000 0.619 0.678 1.000 0.786 CB 1.437 29 residues pruned to eliminate duplicates Z: 36 41.936 2.288 0.923 0.561 0.914 0.714 CB 1.661 36 residues pruned to eliminate duplicates Z: 14 25.344 2.163 0.910 0.875 0.923 0.923 CB 1.340 14 residues pruned to eliminate duplicates Z: 122 60.322 2.200 0.770 0.510 0.926 0.669 CB 1.506 122 residues pruned to eliminate duplicates Z: 18 13.144 2.017 0.865 0.410 0.824 0.647 CB 1.131 18 residues pruned to eliminate duplicates Z: 23 23.111 1.959 0.742 0.535 0.955 0.636 CB 1.460 24 residues pruned to eliminate duplicates Z: 29 19.868 2.071 0.706 0.436 0.857 0.714 CB 1.325 29 residues pruned to eliminate duplicates Z: 15 24.267 2.095 0.621 0.946 1.000 0.643 CB 1.321 15 residues pruned to eliminate duplicates Z: 28 22.388 2.221 0.673 0.461 0.926 0.556 CB 1.302 29 residues pruned to eliminate duplicates Z: 14 36.655 2.227 1.273 0.860 0.923 0.846 CB 1.599 14 residues pruned to eliminate duplicates Z: 16 37.121 2.256 0.833 0.928 1.000 0.800 CA 1.623 16 residues pruned to eliminate duplicates Z: 10 22.733 2.186 1.010 0.708 1.000 0.778 CB 1.428 9 residues pruned to eliminate duplicates Z: 10 7.450 1.571 0.771 0.367 0.889 0.667 CB 1.157 9 residues pruned to eliminate duplicates Z: 25 22.257 2.249 0.404 0.477 0.917 0.583 CB 1.606 25 residues pruned to eliminate duplicates Z: 16 11.672 1.810 0.523 0.591 1.000 0.867 CB 1.003 16 residues pruned to eliminate duplicates Z: 17 35.453 2.179 0.931 0.858 0.938 0.688 CB 1.655 17 residues pruned to eliminate duplicates Z: 13 23.348 2.235 0.953 0.463 0.917 0.667 CB 1.748 13 residues pruned to eliminate duplicates Z: 28 31.729 2.249 0.609 0.585 0.926 0.704 CB 1.679 28 residues pruned to eliminate duplicates Z: 15 19.070 1.852 0.709 0.868 1.000 1.000 CB 1.177 15 residues pruned to eliminate duplicates Z: 13 37.463 2.300 1.397 0.878 0.917 0.583 CA 1.553 13 residues pruned to eliminate duplicates Z: 17 24.940 2.086 0.554 0.905 1.000 0.750 CB 1.369 17 residues pruned to eliminate duplicates Z: 12 40.273 2.366 1.011 0.943 1.000 0.636 CA 1.769 12 residues pruned to eliminate duplicates Z: 14 13.458 1.968 0.939 0.387 0.923 0.615 CB 1.194 14 residues pruned to eliminate duplicates Z: 28 21.807 2.142 0.811 0.462 0.889 0.630 CB 1.266 28 residues pruned to eliminate duplicates Z: 26 27.392 2.155 1.108 0.449 0.880 0.560 CB 1.444 26 residues pruned to eliminate duplicates Z: 11 10.320 1.864 0.815 0.310 0.900 0.600 CB 1.323 11 residues pruned to eliminate duplicates Z: 94 55.784 2.231 0.702 0.547 0.957 0.720 CB 1.520 94 residues pruned to eliminate duplicates Z: 72 63.483 2.316 0.853 0.572 0.958 0.775 CB 1.710 72 residues pruned to eliminate duplicates Z: 18 17.930 2.109 0.742 0.474 1.000 0.647 CB 1.216 18 residues pruned to eliminate duplicates Z: 10 16.149 2.011 0.761 0.658 0.889 0.778 CB 1.476 10 residues pruned to eliminate duplicates Z: 14 14.639 1.843 0.334 0.841 1.000 0.923 CB 1.231 14 residues pruned to eliminate duplicates Z: 72 36.557 2.120 0.692 0.442 0.915 0.577 CB 1.402 72 residues pruned to eliminate duplicates Z: 57 54.791 2.299 0.980 0.529 0.946 0.714 CB 1.652 57 residues pruned to eliminate duplicates Z: 10 18.823 2.055 1.001 0.744 0.889 0.889 CB 1.380 10 residues pruned to eliminate duplicates Z: 17 34.183 2.218 0.760 0.896 0.938 0.688 CA 1.673 17 residues pruned to eliminate duplicates Z: 32 28.035 1.903 0.872 0.625 1.000 0.839 CB 1.256 47 residues pruned to eliminate duplicates Z: 89 45.902 2.205 0.818 0.437 0.864 0.614 CB 1.508 89 residues pruned to eliminate duplicates Z: 16 18.870 2.132 0.866 0.521 0.867 0.667 CB 1.384 16 residues pruned to eliminate duplicates Z: 93 55.345 2.235 0.753 0.527 0.913 0.663 CB 1.571 93 residues pruned to eliminate duplicates Z: 35 47.609 2.323 0.834 0.585 1.000 0.735 CB 1.766 35 residues pruned to eliminate duplicates Z: 8 3.304 1.708 0.283 0.308 0.571 0.286 CB 1.233 Z: 22 13.545 1.862 0.424 0.506 0.857 0.810 CB 1.293 22 residues pruned to eliminate duplicates Z: 28 19.730 2.095 0.674 0.497 0.852 0.593 CB 1.275 28 residues pruned to eliminate duplicates Z: 19 17.178 2.089 0.749 0.447 0.889 0.444 CB 1.317 19 residues pruned to eliminate duplicates Z: 14 10.457 1.933 0.389 0.547 0.923 0.769 CB 1.118 14 residues pruned to eliminate duplicates Z: 32 24.630 1.905 0.635 0.626 0.968 0.774 CB 1.303 32 residues pruned to eliminate duplicates Z: 16 34.724 2.267 0.567 0.925 1.000 0.867 CA 1.772 16 residues pruned to eliminate duplicates Z: 16 18.675 2.044 0.706 0.535 0.933 0.733 CB 1.432 16 residues pruned to eliminate duplicates Z: 14 21.882 1.908 0.719 0.842 1.000 0.692 CA 1.378 14 residues pruned to eliminate duplicates Z: 31 25.941 1.929 0.649 0.642 1.000 0.800 CB 1.304 31 residues pruned to eliminate duplicates Z: 29 27.378 2.146 0.868 0.491 0.964 0.643 CB 1.350 29 residues pruned to eliminate duplicates Z: 32 26.605 1.904 0.747 0.630 0.968 0.742 CB 1.313 32 residues pruned to eliminate duplicates Z: 71 46.713 2.207 0.743 0.530 0.929 0.600 CB 1.518 71 residues pruned to eliminate duplicates Z: 49 35.888 2.165 0.670 0.518 0.917 0.583 CB 1.536 49 residues pruned to eliminate duplicates Z: 97 67.238 2.288 0.847 0.540 0.917 0.667 CB 1.704 97 residues pruned to eliminate duplicates Z: 43 52.055 2.321 0.953 0.581 0.952 0.810 CB 1.721 43 residues pruned to eliminate duplicates Z: 16 29.320 2.177 0.913 0.911 0.933 0.800 CB 1.381 16 residues pruned to eliminate duplicates Z: 15 28.101 2.283 0.332 0.918 1.000 1.000 CA 1.741 15 residues pruned to eliminate duplicates Z: 14 21.614 1.948 0.690 0.853 1.000 0.769 CB 1.346 14 residues pruned to eliminate duplicates Z: 17 25.681 2.273 0.736 0.474 0.938 0.625 CA 1.782 17 residues pruned to eliminate duplicates Z: 10 35.395 2.461 0.895 0.914 1.000 1.000 CB 1.789 10 residues pruned to eliminate duplicates Z: 30 24.108 1.922 0.615 0.635 0.966 0.793 CB 1.316 30 residues pruned to eliminate duplicates Z: 31 27.783 1.910 0.762 0.646 1.000 0.800 CB 1.316 31 residues pruned to eliminate duplicates Z: 14 26.252 1.958 1.030 0.854 1.000 0.923 CB 1.353 14 residues pruned to eliminate duplicates Z: 6 2.578 1.314 0.143 0.750 0.800 0.800 C 0.767 Z: 16 29.401 2.292 0.426 0.930 0.933 0.867 CB 1.740 16 residues pruned to eliminate duplicates Z: 74 47.561 2.213 0.757 0.517 0.904 0.644 CB 1.557 74 residues pruned to eliminate duplicates Z: 58 50.984 2.290 0.847 0.510 0.947 0.702 CB 1.670 58 residues pruned to eliminate duplicates Z: 10 17.052 2.156 0.749 0.725 0.889 0.778 CB 1.384 10 residues pruned to eliminate duplicates Z: 95 54.078 2.199 0.683 0.538 0.957 0.617 CB 1.517 95 residues pruned to eliminate duplicates Z: 17 13.734 2.034 0.582 0.388 0.938 0.562 CB 1.282 17 residues pruned to eliminate duplicates Z: 11 18.913 2.133 0.980 0.587 0.900 0.700 CB 1.447 11 residues pruned to eliminate duplicates Z: 7 7.027 1.812 0.558 0.625 0.833 0.667 CB 1.084 Z: 55 43.420 2.275 0.802 0.487 0.870 0.593 CB 1.678 55 residues pruned to eliminate duplicates Z: 30 25.470 1.953 0.760 0.641 0.966 0.759 CB 1.250 30 residues pruned to eliminate duplicates Z: 15 22.770 1.848 0.847 0.838 1.000 0.929 CA 1.332 15 residues pruned to eliminate duplicates Z: 50 43.875 2.232 0.888 0.555 0.898 0.653 CB 1.569 50 residues pruned to eliminate duplicates Z: 16 20.733 2.043 0.555 0.872 0.933 0.733 CB 1.315 16 residues pruned to eliminate duplicates Z: 12 27.615 2.364 0.765 0.813 0.909 0.636 CB 1.673 12 residues pruned to eliminate duplicates Z: 15 15.471 1.811 0.421 0.886 1.000 0.929 CB 1.160 Z: 8 3.691 1.547 0.484 0.290 0.714 0.571 C 1.076 8 residues pruned to eliminate duplicates Z: 12 18.046 1.993 0.748 0.693 0.909 0.818 CB 1.440 12 residues pruned to eliminate duplicates Z: 14 16.221 1.854 0.558 0.831 0.923 0.846 CB 1.268 14 residues pruned to eliminate duplicates Z: 11 15.008 2.033 1.099 0.511 0.800 0.700 CB 1.375 11 residues pruned to eliminate duplicates Z: 96 69.426 2.298 0.903 0.543 0.916 0.716 CB 1.705 96 residues pruned to eliminate duplicates Z: 20 21.748 2.080 0.574 0.528 0.947 0.789 CB 1.566 20 residues pruned to eliminate duplicates Z: 9 10.484 1.768 0.481 0.558 1.000 0.625 N 1.339 9 residues pruned to eliminate duplicates Z: 15 39.241 2.247 0.929 0.942 1.000 0.857 CA 1.678 15 residues pruned to eliminate duplicates Z: 44 42.497 2.269 0.842 0.567 0.930 0.698 CB 1.563 44 residues pruned to eliminate duplicates Z: 32 24.440 1.870 0.829 0.568 1.000 0.742 CB 1.202 52 residues pruned to eliminate duplicates Z: 49 38.110 2.098 0.863 0.529 0.938 0.583 CB 1.458 49 residues pruned to eliminate duplicates Z: 35 41.327 2.298 0.783 0.552 0.941 0.706 CB 1.747 35 residues pruned to eliminate duplicates Z: 11 24.807 2.195 1.178 0.565 0.900 0.800 CB 1.712 11 residues pruned to eliminate duplicates Z: 49 31.924 2.129 0.672 0.538 0.875 0.583 CB 1.424 49 residues pruned to eliminate duplicates Z: 58 35.835 2.125 0.769 0.509 0.895 0.596 CB 1.399 58 residues pruned to eliminate duplicates Z: 25 17.442 2.044 0.741 0.435 0.917 0.625 CB 1.167 25 residues pruned to eliminate duplicates Z: 12 15.031 1.991 0.829 0.500 0.818 0.818 CB 1.521 12 residues pruned to eliminate duplicates Z: 80 59.745 2.307 0.775 0.519 0.937 0.582 CB 1.720 80 residues pruned to eliminate duplicates Z: 29 24.811 1.919 0.661 0.621 0.929 0.786 CB 1.413 29 residues pruned to eliminate duplicates Z: 14 21.513 2.077 0.531 0.853 1.000 0.846 CB 1.387 14 residues pruned to eliminate duplicates Z: 71 50.051 2.261 0.849 0.531 0.871 0.657 CB 1.592 71 residues pruned to eliminate duplicates Z: 29 27.514 2.164 0.879 0.482 0.964 0.679 CB 1.350 29 residues pruned to eliminate duplicates Z: 15 27.690 2.120 0.899 0.787 0.929 0.571 CB 1.538 15 residues pruned to eliminate duplicates Z: 10 17.044 2.037 1.246 0.589 0.778 0.778 CA 1.465 10 residues pruned to eliminate duplicates Z: 31 23.864 1.893 0.649 0.594 0.933 0.633 CB 1.368 31 residues pruned to eliminate duplicates Z: 21 20.787 2.254 0.655 0.460 0.950 0.500 CB 1.367 21 residues pruned to eliminate duplicates Z: 14 21.684 1.916 0.932 0.836 0.923 0.846 CB 1.318 14 residues pruned to eliminate duplicates Z: 16 30.511 2.185 0.700 0.924 1.000 0.867 CB 1.489 16 residues pruned to eliminate duplicates Z: 15 25.360 2.245 0.471 0.925 1.000 0.857 CB 1.440 15 residues pruned to eliminate duplicates Z: 53 39.400 2.105 0.875 0.544 0.923 0.673 CB 1.436 53 residues pruned to eliminate duplicates Z: 31 25.299 1.930 0.605 0.649 1.000 0.833 CB 1.298 31 residues pruned to eliminate duplicates Z: 6 4.356 1.316 0.379 0.872 1.000 0.800 CA 0.782 6 residues pruned to eliminate duplicates Z: 33 51.713 2.321 1.133 0.591 0.969 0.688 CB 1.747 33 residues pruned to eliminate duplicates Z: 23 24.305 2.258 0.650 0.543 0.909 0.636 CB 1.466 23 residues pruned to eliminate duplicates Z: 21 25.346 2.082 0.764 0.558 0.900 0.550 CB 1.620 21 residues pruned to eliminate duplicates Z: 28 31.120 2.191 1.053 0.508 0.889 0.667 CB 1.486 28 residues pruned to eliminate duplicates Z: 14 14.498 1.896 0.380 0.535 1.000 0.769 CB 1.485 14 residues pruned to eliminate duplicates Z: 6 3.295 1.300 0.786 0.536 0.800 0.400 C 0.766 Z: 13 22.779 2.028 0.895 0.881 1.000 0.833 CB 1.239 13 residues pruned to eliminate duplicates Z: 15 33.201 2.255 0.749 0.923 1.000 0.643 CB 1.580 15 residues pruned to eliminate duplicates Z: 80 65.821 2.301 0.900 0.550 0.949 0.709 CB 1.698 80 residues pruned to eliminate duplicates Z: 15 22.223 1.867 0.948 0.844 0.929 0.643 CB 1.308 15 residues pruned to eliminate duplicates Z: 10 16.034 2.253 0.885 0.418 0.889 0.667 CB 1.542 11 residues pruned to eliminate duplicates Z: 8 4.271 1.611 0.221 0.402 0.857 0.429 CB 1.061 8 residues pruned to eliminate duplicates Z: 21 35.449 2.282 0.619 0.754 1.000 0.850 CB 1.711 21 residues pruned to eliminate duplicates Z: 24 35.222 2.171 0.990 0.615 0.957 0.696 CB 1.594 24 residues pruned to eliminate duplicates Z: 16 25.247 2.103 0.511 0.907 1.000 0.867 CB 1.458 16 residues pruned to eliminate duplicates Z: 53 44.055 2.178 0.847 0.544 0.923 0.577 CA 1.576 53 residues pruned to eliminate duplicates Z: 40 40.809 2.210 0.857 0.561 0.923 0.590 CB 1.625 40 residues pruned to eliminate duplicates Z: 16 17.314 1.900 0.639 0.576 0.933 0.800 CB 1.430 16 residues pruned to eliminate duplicates Z: 12 37.699 2.354 1.000 0.938 1.000 0.727 CB 1.679 12 residues pruned to eliminate duplicates Z: 20 24.919 2.147 0.902 0.465 0.895 0.632 CB 1.621 20 residues pruned to eliminate duplicates Z: 15 10.885 1.875 0.459 0.492 0.857 0.714 CB 1.251 15 residues pruned to eliminate duplicates Z: 9 11.014 1.916 0.417 0.642 1.000 0.875 CB 1.255 9 residues pruned to eliminate duplicates Z: 13 30.548 2.231 0.834 0.841 1.000 0.750 CB 1.606 13 residues pruned to eliminate duplicates Z: 18 18.028 2.183 0.756 0.426 0.882 0.588 CB 1.395 18 residues pruned to eliminate duplicates Z: 37 16.916 1.868 0.776 0.369 0.806 0.472 CB 1.214 37 residues pruned to eliminate duplicates Z: 14 12.572 1.843 0.622 0.768 0.846 0.538 CB 1.088 14 residues pruned to eliminate duplicates Z: 56 49.772 2.291 0.925 0.505 0.927 0.636 CB 1.633 56 residues pruned to eliminate duplicates Z: 76 51.986 2.236 0.836 0.536 0.920 0.653 CB 1.535 76 residues pruned to eliminate duplicates Z: 36 28.451 2.209 0.761 0.454 0.857 0.600 CB 1.512 46 residues pruned to eliminate duplicates Z: 15 23.164 2.008 0.979 0.872 0.786 0.357 CB 1.446 15 residues pruned to eliminate duplicates Z: 87 48.175 2.204 0.783 0.518 0.884 0.593 CB 1.469 87 residues pruned to eliminate duplicates Z: 28 25.086 2.208 0.890 0.441 0.926 0.741 CB 1.329 28 residues pruned to eliminate duplicates Z: 15 20.844 1.850 0.740 0.808 1.000 0.786 CB 1.323 15 residues pruned to eliminate duplicates Z: 12 13.306 1.778 0.473 0.876 1.000 0.909 CB 1.114 Z: 48 43.347 2.234 0.809 0.539 0.936 0.617 CA 1.608 48 residues pruned to eliminate duplicates Z: 26 25.796 2.006 0.849 0.514 0.920 0.440 CA 1.492 26 residues pruned to eliminate duplicates Z: 16 13.686 1.777 0.721 0.525 0.933 0.733 CB 1.207 16 residues pruned to eliminate duplicates Z: 86 50.826 2.232 0.730 0.511 0.906 0.682 CB 1.558 86 residues pruned to eliminate duplicates Z: 14 16.290 2.124 0.573 0.476 0.923 0.692 CB 1.501 14 residues pruned to eliminate duplicates Z: 19 10.291 1.990 0.528 0.352 0.833 0.389 CB 1.124 19 residues pruned to eliminate duplicates Z: 9 11.788 1.962 0.278 0.808 1.000 0.625 CB 1.270 9 residues pruned to eliminate duplicates Z: 16 33.599 2.203 0.735 0.909 1.000 0.667 CB 1.611 16 residues pruned to eliminate duplicates Z: 32 23.918 1.875 0.785 0.601 0.935 0.645 CB 1.247 32 residues pruned to eliminate duplicates Z: 28 21.875 2.034 0.856 0.452 0.852 0.519 CB 1.375 28 residues pruned to eliminate duplicates Z: 6 6.968 1.623 0.605 0.709 0.800 0.800 CB 1.236 6 residues pruned to eliminate duplicates Z: 9 13.158 1.804 0.872 0.676 1.000 0.875 CB 1.172 9 residues pruned to eliminate duplicates Z: 15 17.353 1.829 0.731 0.885 0.929 0.857 CB 1.139 12 residues pruned to eliminate duplicates Z: 9 9.588 1.721 0.723 0.721 0.750 0.750 C 1.248 9 residues pruned to eliminate duplicates Z: 16 28.283 2.157 0.728 0.923 1.000 0.733 CB 1.377 16 residues pruned to eliminate duplicates Z: 7 8.525 2.161 0.468 0.544 0.833 0.500 CA 1.261 7 residues pruned to eliminate duplicates Z: 14 18.039 2.025 0.679 0.605 0.923 0.769 CB 1.443 14 residues pruned to eliminate duplicates Z: 45 41.535 2.239 0.724 0.575 0.955 0.682 CA 1.581 45 residues pruned to eliminate duplicates Z: 48 39.234 2.251 0.657 0.525 0.957 0.638 CB 1.563 48 residues pruned to eliminate duplicates Z: 10 20.870 2.118 0.589 0.912 1.000 1.000 CB 1.464 10 residues pruned to eliminate duplicates Z: 14 13.899 1.796 0.713 0.804 0.846 0.692 CB 1.136 14 residues pruned to eliminate duplicates Z: 47 44.067 2.222 0.888 0.542 0.978 0.696 CB 1.519 47 residues pruned to eliminate duplicates Z: 18 35.514 2.246 0.911 0.757 0.941 0.765 CB 1.696 18 residues pruned to eliminate duplicates Z: 31 25.214 1.900 0.675 0.588 1.000 0.733 CB 1.330 46 residues pruned to eliminate duplicates Z: 7 4.583 1.484 -0.016 0.647 1.000 0.833 CB 1.117 Z: 122 59.154 2.216 0.717 0.533 0.917 0.612 CB 1.491 122 residues pruned to eliminate duplicates Z: 14 15.776 2.106 0.400 0.573 1.000 0.769 CB 1.383 Z: 9 3.751 1.653 -0.010 0.455 0.750 0.750 CB 1.131 9 residues pruned to eliminate duplicates Z: 93 56.590 2.241 0.711 0.536 0.946 0.663 CB 1.570 93 residues pruned to eliminate duplicates Z: 16 30.744 2.217 0.549 0.901 1.000 0.800 CA 1.649 16 residues pruned to eliminate duplicates Z: 8 4.734 1.562 0.164 0.450 0.857 0.429 CB 1.208 7 residues pruned to eliminate duplicates Z: 41 33.376 2.125 0.984 0.469 0.925 0.550 CB 1.397 43 residues pruned to eliminate duplicates 7 1.747 1.599 0.402 0.281 0.667 0.333 CB 0.611 ? Z: 94 52.292 2.224 0.727 0.539 0.882 0.667 CB 1.541 94 residues pruned to eliminate duplicates Z: 14 13.691 1.795 0.459 0.886 0.923 0.615 CB 1.133 Z: 53 40.849 2.203 0.747 0.585 0.904 0.731 CB 1.501 53 residues pruned to eliminate duplicates Z: 7 5.865 1.995 0.406 0.419 1.000 0.667 CB 0.929 7 residues pruned to eliminate duplicates Z: 8 12.069 1.768 1.127 0.545 1.000 1.000 CB 1.160 8 residues pruned to eliminate duplicates Z: 16 16.994 2.114 0.406 0.578 0.867 0.533 CB 1.580 16 residues pruned to eliminate duplicates Z: 27 35.056 2.269 0.642 0.630 1.000 0.808 CB 1.632 27 residues pruned to eliminate duplicates Z: 30 35.231 2.275 0.842 0.572 0.897 0.586 CB 1.624 30 residues pruned to eliminate duplicates Z: 51 39.353 2.116 0.877 0.534 0.940 0.600 CB 1.442 51 residues pruned to eliminate duplicates Z: 15 18.522 1.824 0.754 0.821 0.929 0.786 CA 1.261 15 residues pruned to eliminate duplicates Z: 15 18.506 1.864 0.793 0.826 0.857 0.714 CB 1.302 15 residues pruned to eliminate duplicates Z: 14 18.358 2.174 0.166 0.940 1.000 1.000 CB 1.396 14 residues pruned to eliminate duplicates Z: 6 3.699 1.798 0.063 0.420 1.000 0.600 CB 0.941 6 residues pruned to eliminate duplicates Z: 40 43.601 2.322 0.607 0.626 1.000 0.795 CB 1.663 40 residues pruned to eliminate duplicates Z: 12 15.049 2.079 0.790 0.688 0.909 0.818 CB 1.129 12 residues pruned to eliminate duplicates Z: 81 59.286 2.298 0.815 0.526 0.925 0.663 CB 1.674 81 residues pruned to eliminate duplicates Z: 30 26.027 1.900 0.794 0.634 0.931 0.759 CB 1.342 30 residues pruned to eliminate duplicates Z: 14 37.929 2.198 1.161 0.808 1.000 0.769 CB 1.693 14 residues pruned to eliminate duplicates Z: 11 16.987 2.069 0.409 0.671 1.000 0.800 CB 1.575 11 residues pruned to eliminate duplicates Z: 15 17.850 1.949 0.958 0.622 0.857 0.643 CB 1.300 15 residues pruned to eliminate duplicates Z: 16 19.350 2.024 0.833 0.515 0.867 0.667 CA 1.530 16 residues pruned to eliminate duplicates Z: 41 46.028 2.329 0.806 0.576 0.925 0.625 CB 1.737 41 residues pruned to eliminate duplicates Z: 11 8.248 2.009 0.302 0.206 1.000 0.600 CA 1.413 11 residues pruned to eliminate duplicates Z: 9 9.286 1.814 0.341 0.559 1.000 0.875 CB 1.274 9 residues pruned to eliminate duplicates Z: 9 4.356 1.711 0.182 0.570 0.750 0.750 CB 0.948 Z: 9 23.769 2.218 1.124 0.635 1.000 1.000 CA 1.572 9 residues pruned to eliminate duplicates Z: 12 30.878 2.253 0.966 0.902 1.000 0.909 CA 1.500 12 residues pruned to eliminate duplicates Z: 11 22.658 2.133 0.916 0.635 1.000 0.900 CB 1.544 11 residues pruned to eliminate duplicates Z: 29 23.568 2.131 0.958 0.474 0.857 0.786 CB 1.279 29 residues pruned to eliminate duplicates Z: 17 24.997 2.135 0.266 0.928 1.000 0.812 CA 1.619 17 residues pruned to eliminate duplicates Z: 8 3.096 1.163 0.931 0.342 0.857 0.286 CA 0.722 Z: 56 47.454 2.264 0.725 0.542 0.982 0.691 CB 1.602 56 residues pruned to eliminate duplicates Z: 16 25.366 2.167 0.460 0.936 1.000 1.000 CB 1.441 16 residues pruned to eliminate duplicates Z: 25 30.296 2.161 0.974 0.598 0.875 0.708 CB 1.508 25 residues pruned to eliminate duplicates Z: 16 8.280 1.965 0.395 0.381 0.800 0.667 CB 1.108 16 residues pruned to eliminate duplicates Z: 87 51.382 2.183 0.874 0.519 0.907 0.616 CB 1.464 87 residues pruned to eliminate duplicates Z: 9 6.110 1.636 0.436 0.548 0.750 0.625 N 1.170 Z: 16 17.117 1.732 0.686 0.812 0.933 0.800 CB 1.235 16 residues pruned to eliminate duplicates Z: 24 17.368 1.985 0.828 0.423 0.783 0.609 CB 1.382 24 residues pruned to eliminate duplicates Z: 14 20.960 1.879 1.000 0.873 1.000 0.769 CB 1.126 14 residues pruned to eliminate duplicates Z: 93 55.788 2.224 0.727 0.550 0.913 0.620 CB 1.579 93 residues pruned to eliminate duplicates Z: 49 46.077 2.257 0.710 0.579 0.958 0.646 CB 1.666 49 residues pruned to eliminate duplicates Z: 14 20.427 1.916 0.693 0.880 1.000 0.846 CB 1.266 13 residues pruned to eliminate duplicates Z: 57 46.178 2.302 0.731 0.517 0.964 0.643 CB 1.579 57 residues pruned to eliminate duplicates Z: 6 6.020 1.694 0.101 0.723 1.000 0.800 N 1.180 4 residues pruned to eliminate duplicates Z: 70 50.399 2.224 0.780 0.549 0.928 0.667 CB 1.576 79 residues pruned to eliminate duplicates Z: 14 20.556 1.871 0.891 0.888 1.000 0.769 CB 1.161 14 residues pruned to eliminate duplicates Z: 32 26.273 1.890 0.753 0.649 1.000 0.806 CB 1.240 17 residues pruned to eliminate duplicates Z: 15 18.909 1.812 0.919 0.870 1.000 0.786 CB 1.060 15 residues pruned to eliminate duplicates Z: 15 18.735 1.860 0.749 0.865 1.000 0.857 CB 1.128 15 residues pruned to eliminate duplicates Z: 93 55.568 2.252 0.703 0.550 0.946 0.663 CB 1.521 93 residues pruned to eliminate duplicates Z: 14 17.472 1.834 0.713 0.860 1.000 0.923 CB 1.134 14 residues pruned to eliminate duplicates Z: 7 4.057 1.565 -0.130 0.810 1.000 0.833 CB 0.929 Z: 13 21.633 2.070 0.551 0.874 0.917 0.833 CA 1.545 13 residues pruned to eliminate duplicates Z: 15 19.350 2.105 0.798 0.435 0.929 0.643 CB 1.573 15 residues pruned to eliminate duplicates Z: 14 16.725 2.012 0.656 0.600 0.923 0.692 CB 1.371 14 residues pruned to eliminate duplicates Z: 82 58.954 2.272 0.836 0.542 0.914 0.691 CB 1.649 82 residues pruned to eliminate duplicates Z: 18 16.740 2.028 0.867 0.349 0.941 0.588 CB 1.341 18 residues pruned to eliminate duplicates Z: 35 41.709 2.217 0.791 0.597 1.000 0.706 CA 1.643 35 residues pruned to eliminate duplicates Z: 21 15.952 1.966 0.748 0.582 0.800 0.700 CB 1.199 21 residues pruned to eliminate duplicates Z: 8 5.189 1.862 0.241 0.277 0.857 0.429 CA 1.276 8 residues pruned to eliminate duplicates Z: 8 16.014 2.198 0.543 0.535 1.000 0.714 CB 1.724 8 residues pruned to eliminate duplicates Z: 9 9.111 1.986 0.793 0.383 0.750 0.500 N 1.366 9 residues pruned to eliminate duplicates Z: 14 18.147 1.880 0.594 0.846 1.000 0.923 CB 1.248 14 residues pruned to eliminate duplicates Z: 11 17.004 1.940 0.854 0.756 0.900 0.900 CB 1.322 11 residues pruned to eliminate duplicates Z: 63 50.451 2.237 0.800 0.516 0.952 0.629 CB 1.646 63 residues pruned to eliminate duplicates Z: 47 38.970 2.208 0.845 0.531 0.891 0.674 CB 1.536 47 residues pruned to eliminate duplicates Z: 12 29.787 2.225 0.911 0.910 1.000 1.000 CB 1.498 12 residues pruned to eliminate duplicates Z: 39 39.023 2.246 0.817 0.461 1.000 0.526 CB 1.615 39 residues pruned to eliminate duplicates Z: 23 34.635 2.256 0.603 0.672 1.000 0.682 CB 1.743 23 residues pruned to eliminate duplicates Z: 58 43.998 2.252 0.776 0.463 0.912 0.614 CB 1.659 58 residues pruned to eliminate duplicates Z: 90 56.960 2.218 0.815 0.541 0.921 0.697 CB 1.564 90 residues pruned to eliminate duplicates Z: 16 24.928 2.181 0.490 0.909 1.000 0.867 CB 1.405 16 residues pruned to eliminate duplicates Z: 42 39.537 2.210 0.632 0.619 0.951 0.683 CA 1.608 42 residues pruned to eliminate duplicates Z: 13 16.674 2.031 0.969 0.594 0.833 0.583 CA 1.320 13 residues pruned to eliminate duplicates Z: 8 9.839 2.160 0.125 0.451 1.000 0.571 CB 1.608 8 residues pruned to eliminate duplicates Z: 36 38.059 2.230 0.738 0.563 0.943 0.714 CB 1.657 36 residues pruned to eliminate duplicates Z: 92 56.856 2.223 0.767 0.542 0.956 0.637 CB 1.524 92 residues pruned to eliminate duplicates Z: 13 9.582 1.925 0.802 0.430 0.750 0.500 CB 1.143 13 residues pruned to eliminate duplicates Z: 14 11.936 1.749 0.881 0.442 0.846 0.462 CB 1.263 14 residues pruned to eliminate duplicates Z: 14 13.936 1.986 0.578 0.523 0.923 0.846 CA 1.306 14 residues pruned to eliminate duplicates Z: 57 48.104 2.305 0.695 0.522 0.964 0.607 CB 1.670 57 residues pruned to eliminate duplicates Z: 25 17.965 1.979 0.863 0.428 0.792 0.667 CB 1.354 25 residues pruned to eliminate duplicates 6 1.514 1.338 0.070 0.496 0.800 0.600 CB 0.593 ? Z: 8 12.961 1.848 0.854 0.523 0.857 0.714 N 1.631 8 residues pruned to eliminate duplicates Z: 14 23.915 2.173 0.718 0.569 1.000 0.769 CA 1.663 14 residues pruned to eliminate duplicates Z: 40 43.773 2.246 0.913 0.542 0.949 0.667 CB 1.650 40 residues pruned to eliminate duplicates Z: 10 11.229 1.816 0.779 0.570 0.889 0.667 CA 1.218 10 residues pruned to eliminate duplicates Z: 6 3.243 1.241 0.849 0.535 0.800 0.800 C 0.764 Z: 36 29.699 2.214 0.559 0.561 0.914 0.657 CB 1.498 36 residues pruned to eliminate duplicates Z: 20 18.657 2.179 0.663 0.470 0.895 0.789 CB 1.360 20 residues pruned to eliminate duplicates Z: 6 2.563 1.447 0.072 0.349 0.800 0.400 CA 1.087 Z: 32 36.281 2.232 0.822 0.577 0.968 0.645 CB 1.537 32 residues pruned to eliminate duplicates Z: 15 46.149 2.341 1.092 0.946 1.000 0.929 CB 1.742 15 residues pruned to eliminate duplicates Z: 37 33.874 2.154 0.877 0.539 0.889 0.472 CB 1.512 37 residues pruned to eliminate duplicates Z: 9 3.462 1.467 0.027 0.456 0.750 0.375 N 1.134 Z: 51 39.374 2.270 0.577 0.556 0.920 0.620 CB 1.601 51 residues pruned to eliminate duplicates Z: 16 17.690 1.990 0.677 0.614 0.933 0.867 CB 1.317 16 residues pruned to eliminate duplicates Z: 9 3.701 1.689 -0.036 0.447 0.875 0.750 CB 0.970 8 residues pruned to eliminate duplicates Z: 10 21.381 2.181 0.973 0.618 1.000 0.889 CB 1.482 10 residues pruned to eliminate duplicates Z: 49 38.521 2.199 0.703 0.504 0.958 0.583 CB 1.543 49 residues pruned to eliminate duplicates Z: 6 3.413 1.370 0.063 0.576 1.000 0.600 CB 0.974 12 residues pruned to eliminate duplicates Z: 31 33.700 2.258 0.795 0.532 0.900 0.733 CB 1.635 31 residues pruned to eliminate duplicates Z: 39 39.187 2.262 0.800 0.533 0.921 0.684 CB 1.642 39 residues pruned to eliminate duplicates Z: 91 52.963 2.241 0.643 0.555 0.933 0.689 CB 1.539 91 residues pruned to eliminate duplicates Z: 28 29.286 2.156 0.870 0.503 0.926 0.667 CB 1.505 28 residues pruned to eliminate duplicates Z: 11 24.276 2.237 0.873 0.856 0.900 0.600 CB 1.502 11 residues pruned to eliminate duplicates Z: 6 5.166 1.766 0.585 0.408 0.800 0.600 CB 1.136 6 residues pruned to eliminate duplicates Z: 53 50.228 2.271 0.968 0.524 0.904 0.731 CB 1.683 53 residues pruned to eliminate duplicates Z: 8 27.691 2.400 0.857 0.736 1.000 1.000 CA 1.900 8 residues pruned to eliminate duplicates Z: 76 65.248 2.306 0.955 0.527 0.947 0.640 CB 1.719 75 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 6 5.998 1.873 0.636 0.457 1.000 0.800 CA 0.915 6 residues pruned to eliminate duplicates Z: 23 18.449 2.018 0.773 0.454 0.818 0.545 CB 1.409 23 residues pruned to eliminate duplicates Z: 76 51.010 2.180 0.917 0.529 0.920 0.547 CB 1.489 76 residues pruned to eliminate duplicates Z: 16 16.248 2.001 0.800 0.544 0.867 0.533 CB 1.287 15 residues pruned to eliminate duplicates Z: 7 4.178 1.721 -0.026 0.358 1.000 0.333 CA 1.186 7 residues pruned to eliminate duplicates Z: 18 14.760 1.864 0.603 0.531 0.882 0.706 CB 1.317 18 residues pruned to eliminate duplicates Z: 15 17.235 1.951 0.623 0.556 1.000 0.786 CB 1.378 15 residues pruned to eliminate duplicates Z: 23 18.335 2.087 0.639 0.465 0.864 0.636 CB 1.372 23 residues pruned to eliminate duplicates Z: 14 23.438 2.114 0.753 0.623 1.000 0.846 CB 1.562 14 residues pruned to eliminate duplicates Z: 43 26.480 2.088 0.782 0.478 0.905 0.738 CB 1.241 43 residues pruned to eliminate duplicates Z: 16 14.753 1.871 0.653 0.488 0.867 0.533 CB 1.439 16 residues pruned to eliminate duplicates Z: 15 21.044 2.035 0.892 0.596 0.929 0.857 CB 1.435 15 residues pruned to eliminate duplicates Z: 36 29.609 2.026 1.106 0.447 0.857 0.714 CB 1.445 42 residues pruned to eliminate duplicates Z: 92 58.621 2.231 0.882 0.506 0.934 0.648 CB 1.557 92 residues pruned to eliminate duplicates Z: 71 58.273 2.236 0.995 0.531 0.957 0.686 CB 1.582 71 residues pruned to eliminate duplicates Z: 25 19.863 2.057 0.784 0.390 0.875 0.500 CB 1.418 25 residues pruned to eliminate duplicates Z: 30 27.580 2.187 0.900 0.463 0.966 0.552 CB 1.325 30 residues pruned to eliminate duplicates Z: 28 29.186 2.225 0.913 0.452 0.926 0.593 CB 1.497 28 residues pruned to eliminate duplicates Z: 31 20.811 2.050 0.802 0.493 0.833 0.600 CB 1.243 31 residues pruned to eliminate duplicates Z: 65 47.392 2.174 0.995 0.529 0.906 0.703 CB 1.465 65 residues pruned to eliminate duplicates Z: 17 21.076 2.088 0.916 0.541 0.875 0.688 CB 1.446 17 residues pruned to eliminate duplicates Z: 30 23.564 2.113 0.743 0.440 0.931 0.690 CB 1.358 30 residues pruned to eliminate duplicates Z: 27 28.775 2.156 1.030 0.445 0.885 0.692 CB 1.543 27 residues pruned to eliminate duplicates Z: 24 23.150 2.212 0.805 0.437 0.870 0.696 CB 1.483 24 residues pruned to eliminate duplicates Z: 26 24.575 2.059 0.922 0.486 0.960 0.720 CB 1.312 26 residues pruned to eliminate duplicates Z: 28 27.461 2.179 0.951 0.486 0.889 0.667 CB 1.419 28 residues pruned to eliminate duplicates Z: 19 15.747 2.119 0.715 0.417 0.889 0.556 CB 1.253 19 residues pruned to eliminate duplicates Z: 24 26.917 2.118 0.917 0.469 0.957 0.739 CB 1.492 24 residues pruned to eliminate duplicates Z: 29 29.519 2.184 1.111 0.488 0.929 0.607 CB 1.319 29 residues pruned to eliminate duplicates Z: 28 22.852 2.159 0.923 0.471 0.926 0.519 CB 1.178 28 residues pruned to eliminate duplicates Z: 22 16.694 1.966 0.843 0.375 0.905 0.571 CB 1.270 22 residues pruned to eliminate duplicates Z: 19 19.221 2.162 0.781 0.418 0.889 0.556 CB 1.442 19 residues pruned to eliminate duplicates Z: 70 53.732 2.250 0.913 0.546 0.928 0.696 CB 1.550 70 residues pruned to eliminate duplicates Z: 20 15.793 2.032 0.677 0.395 0.895 0.579 CB 1.327 20 residues pruned to eliminate duplicates Z: 20 15.550 2.077 0.724 0.413 0.895 0.579 CB 1.219 20 residues pruned to eliminate duplicates Z: 30 28.292 2.174 0.931 0.462 0.931 0.586 CB 1.397 30 residues pruned to eliminate duplicates Z: 29 28.489 2.177 1.090 0.508 0.893 0.714 CB 1.314 29 residues pruned to eliminate duplicates Z: 29 26.328 2.143 0.908 0.447 0.857 0.571 CB 1.500 29 residues pruned to eliminate duplicates Z: 10 13.505 2.075 0.882 0.378 0.889 0.667 CB 1.477 10 residues pruned to eliminate duplicates Z: 46 52.692 2.331 0.877 0.551 0.978 0.689 CB 1.747 47 residues pruned to eliminate duplicates Z: 6 7.224 1.672 1.079 0.386 1.000 0.800 CB 1.049 6 residues pruned to eliminate duplicates Z: 96 71.380 2.293 0.908 0.544 0.937 0.684 CB 1.711 96 residues pruned to eliminate duplicates Z: 46 56.961 2.349 1.016 0.559 0.956 0.756 CB 1.771 46 residues pruned to eliminate duplicates Z: 95 69.986 2.292 0.855 0.546 0.947 0.691 CB 1.715 95 residues pruned to eliminate duplicates Z: 7 5.743 1.847 0.669 0.282 0.667 0.500 CA 1.459 7 residues pruned to eliminate duplicates Z: 95 73.270 2.320 0.882 0.549 0.957 0.660 CB 1.724 95 residues pruned to eliminate duplicates Z: 36 44.855 2.309 0.887 0.552 0.971 0.657 CB 1.704 36 residues pruned to eliminate duplicates Z: 37 45.217 2.253 0.844 0.584 0.972 0.694 CB 1.720 37 residues pruned to eliminate duplicates Z: 81 66.091 2.325 0.855 0.525 0.963 0.700 CB 1.737 81 residues pruned to eliminate duplicates Z: 99 69.014 2.290 0.908 0.516 0.918 0.633 CB 1.710 99 residues pruned to eliminate duplicates Z: 18 32.900 2.019 1.057 0.742 0.941 0.882 CA 1.644 18 residues pruned to eliminate duplicates Z: 96 75.570 2.309 0.940 0.534 0.958 0.716 CA 1.747 96 residues pruned to eliminate duplicates Z: 47 50.308 2.341 0.948 0.524 0.913 0.696 CB 1.739 47 residues pruned to eliminate duplicates Z: 37 42.056 2.269 0.859 0.543 0.944 0.750 CB 1.687 37 residues pruned to eliminate duplicates Z: 35 43.967 2.294 0.871 0.555 1.000 0.794 CB 1.665 35 residues pruned to eliminate duplicates Z: 36 41.054 2.278 0.898 0.523 0.943 0.714 CB 1.663 36 residues pruned to eliminate duplicates Z: 37 40.094 2.276 0.772 0.529 0.944 0.722 CB 1.705 37 residues pruned to eliminate duplicates Z: 83 63.108 2.284 0.892 0.504 0.939 0.634 CB 1.712 83 residues pruned to eliminate duplicates Z: 35 43.689 2.285 0.957 0.547 0.941 0.706 CB 1.699 35 residues pruned to eliminate duplicates Z: 99 68.956 2.279 0.879 0.513 0.939 0.602 CB 1.710 99 residues pruned to eliminate duplicates Z: 36 44.514 2.297 0.928 0.536 0.971 0.714 CB 1.688 36 residues pruned to eliminate duplicates Z: 79 67.014 2.341 0.929 0.516 0.936 0.718 CB 1.767 79 residues pruned to eliminate duplicates Z: 95 70.455 2.295 0.951 0.536 0.947 0.649 CB 1.654 95 residues pruned to eliminate duplicates Z: 35 47.974 2.327 1.007 0.557 0.971 0.706 CB 1.717 35 residues pruned to eliminate duplicates Z: 95 69.694 2.304 0.912 0.533 0.936 0.670 CB 1.686 95 residues pruned to eliminate duplicates Z: 18 23.551 2.319 1.003 0.341 0.882 0.529 CB 1.658 18 residues pruned to eliminate duplicates Z: 36 44.040 2.277 0.983 0.540 0.943 0.714 CB 1.681 36 residues pruned to eliminate duplicates Z: 82 59.278 2.300 0.781 0.502 0.938 0.642 CB 1.711 82 residues pruned to eliminate duplicates Z: 82 61.669 2.310 0.803 0.510 0.951 0.679 CB 1.713 82 residues pruned to eliminate duplicates Z: 61 54.967 2.271 0.842 0.554 0.967 0.617 CB 1.665 61 residues pruned to eliminate duplicates Z: 62 56.767 2.262 0.999 0.538 0.967 0.656 CA 1.602 62 residues pruned to eliminate duplicates Z: 96 73.179 2.293 0.912 0.520 0.968 0.589 CB 1.733 96 residues pruned to eliminate duplicates Z: 94 76.322 2.332 0.940 0.547 0.968 0.677 CB 1.727 94 residues pruned to eliminate duplicates Z: 18 32.748 2.403 0.910 0.488 0.941 0.588 CB 1.861 18 residues pruned to eliminate duplicates Z: 82 62.238 2.303 0.913 0.504 0.914 0.667 CB 1.712 82 residues pruned to eliminate duplicates Z: 14 23.117 2.254 1.145 0.444 0.846 0.538 CB 1.661 14 residues pruned to eliminate duplicates Z: 82 61.620 2.304 0.870 0.506 0.914 0.679 CB 1.730 82 residues pruned to eliminate duplicates Z: 95 69.814 2.299 0.946 0.529 0.926 0.670 CB 1.689 95 residues pruned to eliminate duplicates Z: 95 71.777 2.314 0.903 0.537 0.947 0.660 CB 1.712 95 residues pruned to eliminate duplicates Z: 46 45.735 2.324 0.821 0.506 0.933 0.622 CB 1.717 46 residues pruned to eliminate duplicates Z: 61 48.045 2.268 0.818 0.513 0.917 0.533 CB 1.620 61 residues pruned to eliminate duplicates Z: 60 58.621 2.327 0.908 0.555 0.966 0.661 CB 1.686 60 residues pruned to eliminate duplicates Z: 95 68.274 2.300 0.856 0.522 0.957 0.702 CB 1.685 95 residues pruned to eliminate duplicates Z: 96 68.823 2.301 0.955 0.544 0.895 0.695 CB 1.681 96 residues pruned to eliminate duplicates Z: 81 65.098 2.321 0.903 0.518 0.938 0.700 CB 1.727 81 residues pruned to eliminate duplicates Z: 48 40.069 2.252 0.718 0.490 0.915 0.660 CB 1.668 48 residues pruned to eliminate duplicates Z: 74 56.344 2.221 0.927 0.503 0.945 0.575 CB 1.625 74 residues pruned to eliminate duplicates Z: 37 29.490 2.256 0.560 0.502 0.833 0.583 CB 1.673 37 residues pruned to eliminate duplicates Z: 81 60.395 2.311 0.801 0.504 0.950 0.650 CB 1.701 81 residues pruned to eliminate duplicates Z: 36 34.555 2.251 0.734 0.490 0.886 0.514 CB 1.706 36 residues pruned to eliminate duplicates Z: 61 50.584 2.259 0.779 0.540 0.933 0.683 CB 1.673 61 residues pruned to eliminate duplicates Z: 35 30.137 2.249 0.617 0.488 0.882 0.588 CA 1.630 35 residues pruned to eliminate duplicates Z: 47 43.350 2.273 0.866 0.494 0.913 0.630 CB 1.660 47 residues pruned to eliminate duplicates Z: 95 72.833 2.315 0.967 0.540 0.936 0.681 CB 1.693 95 residues pruned to eliminate duplicates Z: 15 45.506 2.384 1.051 0.933 1.000 0.929 CA 1.736 15 residues pruned to eliminate duplicates Z: 83 56.636 2.255 0.874 0.510 0.902 0.610 CB 1.623 83 residues pruned to eliminate duplicates Z: 43 45.271 2.260 0.922 0.575 0.929 0.595 CA 1.611 43 residues pruned to eliminate duplicates Z: 42 39.269 2.304 0.773 0.471 0.902 0.610 CB 1.713 42 residues pruned to eliminate duplicates Z: 68 50.188 2.265 0.875 0.487 0.910 0.642 CB 1.607 68 residues pruned to eliminate duplicates Z: 47 37.998 2.258 0.733 0.432 0.913 0.565 CB 1.683 47 residues pruned to eliminate duplicates Z: 95 67.587 2.298 0.867 0.546 0.915 0.649 CB 1.697 95 residues pruned to eliminate duplicates Z: 57 52.408 2.292 0.838 0.537 0.946 0.589 CA 1.693 57 residues pruned to eliminate duplicates Z: 52 36.199 2.186 0.778 0.448 0.882 0.608 CB 1.560 52 residues pruned to eliminate duplicates Z: 67 52.991 2.277 0.974 0.500 0.909 0.621 CB 1.596 67 residues pruned to eliminate duplicates Z: 31 32.114 2.181 0.800 0.498 0.933 0.467 CB 1.604 31 residues pruned to eliminate duplicates Z: 43 45.499 2.236 0.888 0.583 0.976 0.595 CA 1.574 43 residues pruned to eliminate duplicates Z: 82 63.775 2.291 0.917 0.510 0.951 0.642 CB 1.681 82 residues pruned to eliminate duplicates Z: 46 43.389 2.229 0.928 0.564 0.889 0.667 CA 1.591 46 residues pruned to eliminate duplicates Z: 96 71.069 2.293 0.911 0.522 0.947 0.663 CB 1.719 96 residues pruned to eliminate duplicates Z: 48 44.993 2.269 0.840 0.549 0.936 0.596 CA 1.602 48 residues pruned to eliminate duplicates Z: 45 42.769 2.201 0.922 0.568 0.886 0.591 CA 1.610 45 residues pruned to eliminate duplicates Z: 49 47.496 2.281 0.871 0.562 0.938 0.646 CB 1.614 49 residues pruned to eliminate duplicates Z: 29 34.831 2.198 0.782 0.551 0.964 0.643 CA 1.659 29 residues pruned to eliminate duplicates Z: 37 46.168 2.278 0.981 0.613 0.944 0.556 CA 1.622 37 residues pruned to eliminate duplicates Z: 42 44.197 2.242 0.884 0.604 0.902 0.659 CA 1.641 42 residues pruned to eliminate duplicates Z: 43 51.317 2.278 0.963 0.608 0.976 0.714 CA 1.637 43 residues pruned to eliminate duplicates Z: 45 42.442 2.176 0.897 0.557 0.932 0.705 CA 1.573 45 residues pruned to eliminate duplicates Z: 61 57.751 2.282 1.012 0.552 0.917 0.600 CB 1.684 61 residues pruned to eliminate duplicates Z: 37 46.993 2.244 0.943 0.611 0.972 0.722 CA 1.664 37 residues pruned to eliminate duplicates Z: 44 44.043 2.189 0.869 0.580 0.953 0.628 CB 1.594 44 residues pruned to eliminate duplicates Z: 14 23.691 2.238 1.110 0.667 0.846 0.692 CA 1.409 14 residues pruned to eliminate duplicates Z: 58 53.376 2.298 0.874 0.512 0.947 0.579 CA 1.713 58 residues pruned to eliminate duplicates Z: 60 59.794 2.299 0.957 0.561 0.966 0.678 CB 1.687 60 residues pruned to eliminate duplicates Z: 37 47.332 2.265 1.009 0.597 0.972 0.639 CA 1.626 37 residues pruned to eliminate duplicates Z: 46 44.337 2.178 0.898 0.563 0.933 0.644 CA 1.612 46 residues pruned to eliminate duplicates Z: 59 50.117 2.255 0.884 0.522 0.914 0.621 CB 1.659 59 residues pruned to eliminate duplicates Z: 50 39.866 2.102 0.834 0.531 0.959 0.653 CA 1.493 50 residues pruned to eliminate duplicates Z: 50 41.878 2.171 0.888 0.528 0.898 0.592 CA 1.581 50 residues pruned to eliminate duplicates Z: 97 75.985 2.283 1.040 0.531 0.958 0.635 CB 1.686 97 residues pruned to eliminate duplicates Z: 19 16.483 2.129 0.712 0.429 0.889 0.667 CB 1.291 19 residues pruned to eliminate duplicates Z: 87 52.628 2.257 0.817 0.493 0.907 0.570 CB 1.536 87 residues pruned to eliminate duplicates Z: 18 19.162 2.170 0.847 0.459 0.882 0.588 CB 1.370 18 residues pruned to eliminate duplicates Z: 76 62.370 2.310 0.981 0.564 0.933 0.667 CB 1.585 92 residues pruned to eliminate duplicates Z: 6 5.167 1.556 1.288 0.308 0.800 0.600 C 1.003 6 residues pruned to eliminate duplicates Z: 28 27.668 2.213 0.909 0.472 0.926 0.667 CB 1.401 27 residues pruned to eliminate duplicates Z: 6 6.506 1.731 0.943 0.394 1.000 0.600 CA 0.967 6 residues pruned to eliminate duplicates Z: 77 53.927 2.284 0.811 0.539 0.934 0.737 CB 1.542 77 residues pruned to eliminate duplicates Z: 18 22.351 2.164 1.004 0.473 0.941 0.647 CB 1.364 18 residues pruned to eliminate duplicates Z: 18 24.410 2.181 1.034 0.497 0.882 0.647 CB 1.517 18 residues pruned to eliminate duplicates Z: 18 20.101 2.185 0.926 0.486 0.941 0.706 CB 1.248 18 residues pruned to eliminate duplicates Z: 28 26.941 2.230 0.829 0.475 0.963 0.667 CB 1.354 28 residues pruned to eliminate duplicates Z: 6 3.053 1.920 -0.247 0.379 1.000 0.600 CB 1.074 6 residues pruned to eliminate duplicates Z: 30 24.950 2.187 0.739 0.454 0.897 0.655 CB 1.425 30 residues pruned to eliminate duplicates Z: 30 24.414 2.137 0.823 0.438 0.931 0.621 CB 1.333 30 residues pruned to eliminate duplicates Z: 30 25.527 2.128 0.910 0.450 0.931 0.690 CB 1.319 29 residues pruned to eliminate duplicates Z: 6 5.003 2.070 0.112 0.186 1.000 0.800 CA 1.417 6 residues pruned to eliminate duplicates Z: 15 10.720 2.082 0.441 0.333 0.929 0.714 CB 1.235 15 residues pruned to eliminate duplicates Z: 87 58.056 2.288 0.822 0.535 0.942 0.628 CB 1.540 87 residues pruned to eliminate duplicates Z: 29 25.691 2.176 0.810 0.455 0.929 0.714 CB 1.389 29 residues pruned to eliminate duplicates Z: 18 15.761 2.016 0.763 0.308 0.882 0.588 CB 1.510 18 residues pruned to eliminate duplicates Z: 31 25.117 2.118 0.850 0.480 0.867 0.667 CB 1.378 31 residues pruned to eliminate duplicates Z: 10 10.873 1.889 1.149 0.398 0.778 0.333 CB 1.278 10 residues pruned to eliminate duplicates Z: 15 10.612 1.914 0.749 0.317 0.786 0.429 CB 1.320 12 residues pruned to eliminate duplicates Z: 6 4.360 1.754 0.680 0.440 0.600 0.200 CA 1.174 6 residues pruned to eliminate duplicates Z: 33 24.670 2.171 0.854 0.434 0.844 0.656 CB 1.375 32 residues pruned to eliminate duplicates Z: 6 3.027 1.271 0.618 0.367 0.800 0.200 CB 0.949 6 residues pruned to eliminate duplicates Z: 11 4.920 1.757 0.667 0.174 0.600 0.200 CA 1.313 Z: 6 4.877 1.490 0.548 0.368 1.000 0.800 C 1.090 Z: 6 6.300 1.686 0.448 0.433 1.000 1.000 C 1.237 6 residues pruned to eliminate duplicates Z: 61 43.120 2.248 0.716 0.547 0.867 0.633 CB 1.591 61 residues pruned to eliminate duplicates Z: 13 29.065 2.366 0.888 0.508 1.000 0.500 CB 1.863 13 residues pruned to eliminate duplicates Z: 60 46.382 2.285 0.695 0.562 0.915 0.678 CB 1.605 60 residues pruned to eliminate duplicates Z: 78 52.295 2.287 0.722 0.522 0.948 0.597 CB 1.562 78 residues pruned to eliminate duplicates Z: 61 45.657 2.252 0.600 0.565 0.933 0.633 CB 1.646 61 residues pruned to eliminate duplicates Z: 60 49.327 2.293 0.749 0.553 0.932 0.661 CB 1.632 60 residues pruned to eliminate duplicates Z: 70 53.782 2.234 0.866 0.523 0.928 0.623 CB 1.637 70 residues pruned to eliminate duplicates Z: 60 48.982 2.271 0.739 0.550 0.966 0.627 CB 1.591 60 residues pruned to eliminate duplicates Z: 49 32.220 2.132 0.718 0.428 0.896 0.604 CB 1.528 66 residues pruned to eliminate duplicates Z: 59 48.662 2.291 0.761 0.544 0.931 0.655 CB 1.629 59 residues pruned to eliminate duplicates Z: 46 42.032 2.252 0.815 0.503 0.956 0.733 CB 1.600 45 residues pruned to eliminate duplicates Z: 6 3.605 1.869 0.216 0.244 0.600 0.200 CA 1.588 6 residues pruned to eliminate duplicates Z: 59 52.155 2.295 0.886 0.570 0.897 0.672 CB 1.649 59 residues pruned to eliminate duplicates Z: 59 53.754 2.313 0.768 0.569 0.966 0.690 CB 1.671 60 residues pruned to eliminate duplicates Z: 17 20.192 2.130 0.340 0.790 1.000 0.812 CB 1.371 17 residues pruned to eliminate duplicates Z: 46 41.461 2.275 0.732 0.520 0.933 0.667 CB 1.647 46 residues pruned to eliminate duplicates Z: 46 38.299 2.232 0.722 0.566 0.933 0.689 CB 1.493 46 residues pruned to eliminate duplicates Z: 62 50.291 2.283 0.784 0.552 0.934 0.672 CB 1.608 62 residues pruned to eliminate duplicates Z: 52 36.446 2.192 0.663 0.503 0.882 0.608 CB 1.582 52 residues pruned to eliminate duplicates Z: 35 24.852 2.141 0.564 0.497 0.882 0.559 CB 1.446 35 residues pruned to eliminate duplicates Z: 47 37.727 2.256 0.595 0.509 0.957 0.696 CB 1.601 47 residues pruned to eliminate duplicates Z: 60 48.696 2.304 0.718 0.563 0.932 0.729 CB 1.616 60 residues pruned to eliminate duplicates Z: 60 54.786 2.296 0.899 0.566 0.949 0.644 CB 1.617 60 residues pruned to eliminate duplicates Z: 15 25.231 2.193 0.568 0.937 1.000 0.929 CB 1.365 15 residues pruned to eliminate duplicates Z: 59 49.526 2.314 0.701 0.566 0.931 0.690 CB 1.665 59 residues pruned to eliminate duplicates Z: 59 45.691 2.280 0.810 0.535 0.879 0.655 CB 1.597 59 residues pruned to eliminate duplicates Z: 59 51.946 2.314 0.791 0.559 0.948 0.672 CB 1.639 59 residues pruned to eliminate duplicates Z: 59 50.815 2.316 0.829 0.570 0.897 0.690 CB 1.642 59 residues pruned to eliminate duplicates Z: 77 54.704 2.277 0.864 0.533 0.921 0.645 CB 1.554 77 residues pruned to eliminate duplicates Z: 59 50.634 2.306 0.736 0.571 0.948 0.603 CB 1.635 59 residues pruned to eliminate duplicates Z: 76 48.049 2.269 0.755 0.517 0.893 0.667 CB 1.533 76 residues pruned to eliminate duplicates Z: 46 42.510 2.292 0.776 0.529 0.956 0.733 CB 1.583 46 residues pruned to eliminate duplicates Z: 60 50.502 2.300 0.834 0.583 0.898 0.661 CB 1.602 60 residues pruned to eliminate duplicates Z: 60 53.932 2.310 0.890 0.570 0.932 0.627 CB 1.612 60 residues pruned to eliminate duplicates Z: 60 48.261 2.267 0.908 0.542 0.898 0.695 CB 1.552 60 residues pruned to eliminate duplicates Z: 56 56.350 2.304 0.923 0.562 0.982 0.691 CB 1.645 56 residues pruned to eliminate duplicates Z: 61 52.350 2.242 0.913 0.571 0.950 0.600 CB 1.549 61 residues pruned to eliminate duplicates Z: 59 53.245 2.319 0.833 0.567 0.948 0.638 CB 1.626 59 residues pruned to eliminate duplicates Z: 59 51.842 2.307 0.812 0.567 0.948 0.638 CB 1.610 59 residues pruned to eliminate duplicates Z: 61 49.300 2.277 0.886 0.568 0.883 0.683 CB 1.571 61 residues pruned to eliminate duplicates Z: 49 39.194 2.203 0.722 0.515 0.958 0.625 CB 1.533 49 residues pruned to eliminate duplicates Z: 48 37.706 2.243 0.817 0.552 0.894 0.596 CB 1.436 48 residues pruned to eliminate duplicates Z: 61 50.877 2.260 0.846 0.558 0.950 0.667 CB 1.566 61 residues pruned to eliminate duplicates Z: 59 50.924 2.282 0.860 0.525 0.966 0.707 CB 1.593 59 residues pruned to eliminate duplicates Z: 59 56.053 2.316 0.846 0.577 0.983 0.690 CB 1.626 59 residues pruned to eliminate duplicates Z: 89 51.214 2.211 0.835 0.523 0.909 0.648 CB 1.447 89 residues pruned to eliminate duplicates Z: 60 50.812 2.283 0.814 0.563 0.966 0.627 CB 1.556 60 residues pruned to eliminate duplicates Z: 60 53.145 2.296 0.830 0.559 0.966 0.661 CB 1.609 60 residues pruned to eliminate duplicates Z: 59 55.044 2.315 0.878 0.583 0.948 0.655 CB 1.619 59 residues pruned to eliminate duplicates Z: 61 50.328 2.277 0.887 0.549 0.917 0.733 CB 1.572 61 residues pruned to eliminate duplicates Z: 59 55.107 2.319 0.866 0.583 0.948 0.724 CB 1.628 59 residues pruned to eliminate duplicates Z: 16 15.162 1.779 0.643 0.768 1.000 0.800 CB 1.056 16 residues pruned to eliminate duplicates Z: 31 25.599 1.898 0.768 0.575 0.967 0.667 CB 1.340 31 residues pruned to eliminate duplicates Z: 32 25.401 1.902 0.834 0.592 0.968 0.677 CB 1.238 32 residues pruned to eliminate duplicates Z: 31 26.596 1.895 0.748 0.623 1.000 0.733 CB 1.305 30 residues pruned to eliminate duplicates Z: 15 21.069 1.875 0.885 0.880 1.000 0.786 CB 1.155 15 residues pruned to eliminate duplicates Z: 14 21.079 1.907 0.837 0.866 1.000 1.000 CB 1.222 14 residues pruned to eliminate duplicates Z: 30 30.616 1.965 0.862 0.654 1.000 0.793 CB 1.347 31 residues pruned to eliminate duplicates Z: 15 21.709 1.874 0.923 0.881 1.000 0.929 CB 1.166 15 residues pruned to eliminate duplicates Z: 14 19.931 1.874 0.835 0.872 1.000 0.692 CB 1.172 14 residues pruned to eliminate duplicates Z: 32 25.903 1.889 0.876 0.605 1.000 0.742 CB 1.188 32 residues pruned to eliminate duplicates Z: 22 24.499 1.851 0.876 0.627 1.000 0.571 CB 1.367 22 residues pruned to eliminate duplicates Z: 93 59.206 2.268 0.726 0.552 0.946 0.674 CB 1.585 93 residues pruned to eliminate duplicates Z: 52 39.095 2.170 0.876 0.534 0.902 0.647 CB 1.442 52 residues pruned to eliminate duplicates Z: 94 56.913 2.242 0.705 0.543 0.946 0.624 CB 1.564 94 residues pruned to eliminate duplicates Z: 97 55.007 2.202 0.733 0.527 0.938 0.656 CB 1.529 97 residues pruned to eliminate duplicates Z: 93 58.757 2.252 0.730 0.555 0.957 0.620 CB 1.559 93 residues pruned to eliminate duplicates Z: 94 56.923 2.241 0.660 0.556 0.957 0.699 CB 1.571 94 residues pruned to eliminate duplicates Z: 93 58.953 2.255 0.757 0.541 0.946 0.630 CB 1.577 93 residues pruned to eliminate duplicates Z: 35 28.768 2.107 0.728 0.585 0.912 0.647 CB 1.370 35 residues pruned to eliminate duplicates Z: 34 29.599 2.087 0.772 0.579 0.939 0.576 CB 1.374 35 residues pruned to eliminate duplicates Z: 7 2.248 1.756 0.141 0.162 0.667 0.333 CA 1.038 7 residues pruned to eliminate duplicates Z: 80 52.074 2.224 0.746 0.524 0.937 0.684 CB 1.573 80 residues pruned to eliminate duplicates Z: 80 51.011 2.240 0.706 0.530 0.949 0.671 CB 1.537 80 residues pruned to eliminate duplicates Z: 122 65.307 2.240 0.818 0.536 0.934 0.645 CB 1.507 122 residues pruned to eliminate duplicates Z: 94 62.455 2.250 0.777 0.568 0.978 0.688 CB 1.550 93 residues pruned to eliminate duplicates Z: 16 22.343 1.983 0.763 0.718 1.000 0.733 CB 1.355 16 residues pruned to eliminate duplicates Z: 93 55.149 2.269 0.635 0.545 0.935 0.674 CB 1.587 93 residues pruned to eliminate duplicates Z: 96 55.439 2.231 0.752 0.543 0.905 0.653 CB 1.542 96 residues pruned to eliminate duplicates Z: 51 41.828 2.196 0.860 0.537 0.940 0.700 CB 1.486 52 residues pruned to eliminate duplicates Z: 14 21.252 1.934 0.771 0.820 1.000 0.846 CB 1.304 14 residues pruned to eliminate duplicates Z: 92 59.339 2.271 0.774 0.551 0.934 0.703 CB 1.573 91 residues pruned to eliminate duplicates Z: 15 22.159 1.855 0.866 0.798 1.000 0.643 CA 1.318 15 residues pruned to eliminate duplicates Z: 95 57.002 2.226 0.797 0.523 0.936 0.649 CB 1.535 95 residues pruned to eliminate duplicates Z: 93 56.100 2.261 0.721 0.531 0.924 0.641 CB 1.577 93 residues pruned to eliminate duplicates Z: 95 58.295 2.227 0.790 0.534 0.947 0.638 CB 1.541 95 residues pruned to eliminate duplicates Z: 51 43.830 2.139 1.069 0.520 0.960 0.660 CB 1.430 50 residues pruned to eliminate duplicates Z: 15 24.107 1.844 1.002 0.836 1.000 0.857 CB 1.306 15 residues pruned to eliminate duplicates Z: 52 43.399 2.209 0.907 0.535 0.941 0.725 CB 1.482 52 residues pruned to eliminate duplicates Z: 80 54.450 2.232 0.819 0.513 0.949 0.633 CB 1.570 81 residues pruned to eliminate duplicates Z: 18 17.954 1.806 0.996 0.641 0.882 0.647 CB 1.199 18 residues pruned to eliminate duplicates Z: 51 40.297 2.138 1.002 0.513 0.900 0.600 CB 1.460 51 residues pruned to eliminate duplicates Z: 6 5.810 1.724 0.821 0.394 0.800 0.400 CB 1.157 6 residues pruned to eliminate duplicates Z: 65 48.721 2.292 0.779 0.484 0.938 0.594 CB 1.619 65 residues pruned to eliminate duplicates Z: 66 44.297 2.242 0.612 0.496 0.923 0.662 CB 1.654 66 residues pruned to eliminate duplicates Z: 66 49.569 2.274 0.769 0.496 0.969 0.646 CB 1.584 66 residues pruned to eliminate duplicates Z: 94 51.670 2.237 0.672 0.515 0.903 0.645 CB 1.562 94 residues pruned to eliminate duplicates Z: 94 58.129 2.260 0.757 0.528 0.946 0.688 CB 1.561 94 residues pruned to eliminate duplicates Z: 52 38.362 2.187 0.950 0.495 0.902 0.608 CB 1.404 52 residues pruned to eliminate duplicates Z: 61 49.563 2.293 0.734 0.506 0.950 0.650 CB 1.684 61 residues pruned to eliminate duplicates Z: 92 56.956 2.277 0.736 0.545 0.923 0.703 CB 1.567 92 residues pruned to eliminate duplicates Z: 65 47.279 2.283 0.697 0.490 0.953 0.672 CB 1.616 65 residues pruned to eliminate duplicates Z: 64 51.876 2.301 0.816 0.489 0.952 0.603 CB 1.661 64 residues pruned to eliminate duplicates Z: 66 46.206 2.283 0.689 0.485 0.923 0.677 CB 1.635 66 residues pruned to eliminate duplicates Z: 64 45.490 2.287 0.691 0.481 0.921 0.571 CB 1.641 64 residues pruned to eliminate duplicates Z: 93 55.905 2.230 0.724 0.541 0.946 0.707 CB 1.540 94 residues pruned to eliminate duplicates Z: 6 4.289 1.901 0.201 0.269 0.800 0.400 CA 1.366 6 residues pruned to eliminate duplicates Z: 51 39.794 2.281 0.677 0.467 0.920 0.660 CB 1.654 51 residues pruned to eliminate duplicates Z: 91 58.856 2.279 0.774 0.544 0.933 0.656 CB 1.575 91 residues pruned to eliminate duplicates Z: 91 53.308 2.237 0.689 0.522 0.911 0.656 CB 1.597 91 residues pruned to eliminate duplicates Z: 47 36.379 2.277 0.568 0.508 0.913 0.565 CB 1.632 47 residues pruned to eliminate duplicates Z: 47 38.595 2.286 0.607 0.526 0.957 0.587 CB 1.579 47 residues pruned to eliminate duplicates Z: 64 49.083 2.290 0.709 0.515 0.937 0.603 CB 1.661 64 residues pruned to eliminate duplicates Z: 51 33.924 2.235 0.471 0.521 0.900 0.620 CB 1.587 51 residues pruned to eliminate duplicates Z: 81 54.155 2.239 0.757 0.543 0.913 0.688 CB 1.617 81 residues pruned to eliminate duplicates Z: 47 39.374 2.278 0.597 0.517 0.957 0.609 CB 1.641 47 residues pruned to eliminate duplicates Z: 44 38.943 2.255 0.667 0.567 0.953 0.674 CB 1.553 44 residues pruned to eliminate duplicates Z: 64 46.988 2.319 0.674 0.510 0.937 0.635 CB 1.613 64 residues pruned to eliminate duplicates Z: 45 37.872 2.268 0.530 0.545 0.977 0.614 CB 1.610 45 residues pruned to eliminate duplicates Z: 64 43.078 2.295 0.680 0.496 0.889 0.571 CB 1.589 64 residues pruned to eliminate duplicates Z: 46 37.074 2.248 0.648 0.552 0.911 0.578 CB 1.556 46 residues pruned to eliminate duplicates Z: 42 42.768 2.331 0.644 0.589 0.951 0.732 CB 1.681 42 residues pruned to eliminate duplicates Z: 51 38.379 2.245 0.716 0.471 0.900 0.620 CB 1.612 51 residues pruned to eliminate duplicates Z: 47 38.185 2.288 0.640 0.512 0.913 0.630 CB 1.623 47 residues pruned to eliminate duplicates Z: 43 38.425 2.317 0.471 0.589 0.952 0.619 CB 1.677 43 residues pruned to eliminate duplicates Z: 42 42.695 2.305 0.692 0.575 0.976 0.585 CB 1.630 42 residues pruned to eliminate duplicates Z: 47 39.324 2.294 0.678 0.524 0.935 0.630 CB 1.572 47 residues pruned to eliminate duplicates Z: 41 45.275 2.343 0.736 0.603 0.975 0.675 CB 1.637 41 residues pruned to eliminate duplicates Z: 68 49.557 2.259 0.811 0.566 0.925 0.642 CB 1.500 68 residues pruned to eliminate duplicates Z: 49 37.299 2.276 0.671 0.484 0.896 0.604 CB 1.605 49 residues pruned to eliminate duplicates Z: 47 36.202 2.261 0.625 0.531 0.913 0.652 CB 1.544 47 residues pruned to eliminate duplicates Z: 43 44.062 2.303 0.695 0.612 0.976 0.643 CB 1.605 43 residues pruned to eliminate duplicates Z: 65 49.593 2.271 0.784 0.503 0.953 0.641 CB 1.600 65 residues pruned to eliminate duplicates Z: 66 50.168 2.286 0.802 0.501 0.923 0.646 CB 1.636 66 residues pruned to eliminate duplicates Z: 32 33.210 2.276 0.670 0.535 0.935 0.677 CB 1.622 32 residues pruned to eliminate duplicates Z: 65 47.820 2.279 0.800 0.525 0.906 0.562 CB 1.569 65 residues pruned to eliminate duplicates Z: 49 39.345 2.257 0.716 0.548 0.875 0.562 CB 1.598 49 residues pruned to eliminate duplicates Z: 43 45.490 2.306 0.750 0.604 0.976 0.619 CB 1.614 43 residues pruned to eliminate duplicates Z: 92 54.130 2.208 0.784 0.510 0.923 0.648 CB 1.546 92 residues pruned to eliminate duplicates Z: 42 39.831 2.292 0.696 0.580 0.927 0.707 CB 1.598 42 residues pruned to eliminate duplicates Z: 48 34.311 2.224 0.683 0.529 0.851 0.596 CB 1.527 48 residues pruned to eliminate duplicates Z: 57 50.898 2.320 0.801 0.537 0.982 0.661 CB 1.599 57 residues pruned to eliminate duplicates Z: 50 41.604 2.251 0.734 0.532 0.959 0.571 CB 1.538 50 residues pruned to eliminate duplicates Z: 44 40.638 2.266 0.724 0.572 0.953 0.698 CB 1.553 44 residues pruned to eliminate duplicates Z: 42 41.638 2.311 0.747 0.585 0.927 0.732 CB 1.601 42 residues pruned to eliminate duplicates Z: 94 60.012 2.234 0.889 0.546 0.914 0.645 CB 1.542 94 residues pruned to eliminate duplicates Z: 52 32.263 2.123 0.715 0.475 0.902 0.588 CB 1.411 52 residues pruned to eliminate duplicates Z: 89 51.709 2.260 0.766 0.504 0.909 0.648 CB 1.514 89 residues pruned to eliminate duplicates Z: 50 47.876 2.296 0.824 0.601 0.918 0.653 CB 1.615 50 residues pruned to eliminate duplicates Z: 52 44.584 2.241 0.776 0.566 0.922 0.588 CB 1.597 52 residues pruned to eliminate duplicates Z: 11 21.517 2.148 1.028 0.551 1.000 0.800 CB 1.485 11 residues pruned to eliminate duplicates Z: 31 23.720 2.082 0.884 0.421 0.867 0.600 CB 1.383 31 residues pruned to eliminate duplicates Z: 11 18.343 2.040 0.950 0.566 0.900 0.800 CA 1.520 11 residues pruned to eliminate duplicates Z: 11 19.802 2.116 1.040 0.580 0.900 0.800 CB 1.493 11 residues pruned to eliminate duplicates Z: 12 15.789 2.033 0.828 0.513 0.818 0.727 CB 1.544 12 residues pruned to eliminate duplicates Z: 32 24.347 2.145 0.759 0.475 0.871 0.677 CB 1.364 32 residues pruned to eliminate duplicates Z: 89 53.133 2.254 0.832 0.493 0.886 0.591 CB 1.559 89 residues pruned to eliminate duplicates Z: 29 28.039 2.150 0.988 0.493 0.929 0.714 CB 1.345 29 residues pruned to eliminate duplicates Z: 31 27.356 2.057 1.118 0.474 0.867 0.700 CB 1.359 31 residues pruned to eliminate duplicates Z: 87 58.483 2.280 0.868 0.542 0.919 0.640 CB 1.546 87 residues pruned to eliminate duplicates Z: 90 52.395 2.210 0.783 0.521 0.888 0.596 CB 1.555 90 residues pruned to eliminate duplicates Z: 65 49.074 2.244 0.762 0.553 0.938 0.688 CB 1.571 65 residues pruned to eliminate duplicates Z: 21 12.932 2.017 0.942 0.414 0.700 0.500 CB 1.154 21 residues pruned to eliminate duplicates Z: 19 19.332 2.112 0.958 0.442 0.889 0.611 CB 1.316 19 residues pruned to eliminate duplicates Z: 32 13.139 1.941 0.500 0.309 0.839 0.452 CB 1.195 32 residues pruned to eliminate duplicates Z: 31 23.582 2.095 0.765 0.447 0.933 0.633 CB 1.318 31 residues pruned to eliminate duplicates Z: 52 38.372 2.206 0.876 0.503 0.922 0.647 CB 1.404 52 residues pruned to eliminate duplicates Z: 94 53.782 2.208 0.879 0.480 0.903 0.645 CB 1.519 94 residues pruned to eliminate duplicates Z: 20 15.899 2.042 0.836 0.376 0.842 0.526 CB 1.319 20 residues pruned to eliminate duplicates Z: 29 24.970 2.145 0.849 0.484 0.893 0.607 CB 1.354 29 residues pruned to eliminate duplicates Z: 29 23.334 2.146 0.861 0.455 0.893 0.679 CB 1.295 29 residues pruned to eliminate duplicates Z: 30 21.748 2.082 0.976 0.426 0.862 0.621 CB 1.230 30 residues pruned to eliminate duplicates Z: 30 28.680 2.080 1.013 0.468 0.966 0.655 CB 1.362 30 residues pruned to eliminate duplicates Z: 10 8.236 1.811 0.803 0.405 0.667 0.333 CB 1.394 10 residues pruned to eliminate duplicates Z: 29 28.435 2.176 1.078 0.481 0.857 0.714 CB 1.413 29 residues pruned to eliminate duplicates Z: 69 46.569 2.218 0.879 0.506 0.912 0.603 CB 1.477 69 residues pruned to eliminate duplicates 384 residues left after pruning, divided into chains as follows: A: 12 B: 121 C: 92 D: 11 E: 17 F: 10 G: 121 CC for partial structure against native data = 41.43 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.452, Connect. = 0.738 for dens.mod. cycle 1 = 0.300, Contrast = 0.519, Connect. = 0.763 for dens.mod. cycle 2 = 0.300, Contrast = 0.623, Connect. = 0.790 for dens.mod. cycle 3 = 0.300, Contrast = 0.634, Connect. = 0.792 for dens.mod. cycle 4 = 0.300, Contrast = 0.647, Connect. = 0.794 for dens.mod. cycle 5 = 0.300, Contrast = 0.654, Connect. = 0.796 for dens.mod. cycle 6 = 0.300, Contrast = 0.661, Connect. = 0.798 for dens.mod. cycle 7 = 0.300, Contrast = 0.666, Connect. = 0.799 for dens.mod. cycle 8 = 0.300, Contrast = 0.670, Connect. = 0.799 for dens.mod. cycle 9 = 0.300, Contrast = 0.673, Connect. = 0.800 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2401 peaks > 0.5 sigma used to seed fragment search Space for about 500 unique residues taking solvent into account 538 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 13 28.523 2.322 0.610 0.842 1.000 0.833 CB 1.641 B: 14 22.792 2.181 0.664 0.817 0.846 0.769 CB 1.562 14 residues pruned to eliminate duplicates C: 14 39.785 2.173 1.240 0.861 1.000 0.769 CB 1.665 D: 14 32.417 2.269 0.726 0.870 1.000 0.923 CB 1.675 14 residues pruned to eliminate duplicates E: 11 30.331 2.488 0.453 0.928 1.000 0.900 CB 1.858 12 residues pruned to eliminate duplicates F: 13 45.035 2.387 1.068 0.884 1.000 0.917 CB 1.903 14 residues pruned to eliminate duplicates G: 14 28.495 2.222 0.819 0.788 0.923 0.692 CB 1.645 14 residues pruned to eliminate duplicates H: 15 27.731 2.050 0.696 0.848 1.000 0.786 CA 1.581 13 residues pruned to eliminate duplicates I: 13 29.531 2.316 0.711 0.859 0.917 0.917 CB 1.728 13 residues pruned to eliminate duplicates J: 12 33.156 2.491 0.583 0.850 1.000 0.636 CB 1.878 12 residues pruned to eliminate duplicates K: 15 36.028 2.198 1.185 0.824 0.929 0.714 CB 1.631 L: 14 32.019 2.181 0.850 0.898 1.000 0.846 CB 1.574 14 residues pruned to eliminate duplicates M: 37 41.886 2.214 0.799 0.607 0.972 0.694 CB 1.629 15 residues pruned to eliminate duplicates N: 15 31.021 2.160 0.704 0.881 1.000 0.714 CB 1.632 15 residues pruned to eliminate duplicates O: 14 33.492 2.188 1.066 0.807 0.923 0.846 CB 1.703 14 residues pruned to eliminate duplicates P: 13 28.195 2.352 0.501 0.795 1.000 0.750 CA 1.780 13 residues pruned to eliminate duplicates Q: 15 36.291 2.199 1.206 0.832 0.929 0.786 CB 1.616 18 residues pruned to eliminate duplicates R: 16 27.549 2.341 0.374 0.889 0.933 0.933 CB 1.705 S: 16 26.882 2.064 0.687 0.896 1.000 0.867 CB 1.428 16 residues pruned to eliminate duplicates T: 14 34.737 2.198 0.967 0.861 1.000 0.846 CB 1.637 U: 15 33.534 2.160 1.137 0.826 0.929 0.714 CB 1.578 15 residues pruned to eliminate duplicates V: 10 22.410 2.176 1.073 0.778 0.889 0.889 CB 1.458 W: 14 30.008 2.156 0.663 0.850 1.000 0.769 CB 1.719 14 residues pruned to eliminate duplicates X: 15 35.749 2.181 1.058 0.814 0.929 0.857 CB 1.745 15 residues pruned to eliminate duplicates Y: 13 37.613 2.209 1.189 0.903 0.917 0.750 CB 1.747 13 residues pruned to eliminate duplicates Z: 36 41.166 2.290 0.811 0.575 0.943 0.743 CB 1.655 38 residues pruned to eliminate duplicates Z: 12 34.676 2.377 1.035 0.878 1.000 0.818 CA 1.569 13 residues pruned to eliminate duplicates Z: 15 19.694 1.968 0.737 0.590 0.929 0.786 CB 1.521 Z: 16 31.085 2.345 0.545 0.909 0.933 0.733 CA 1.685 Z: 14 28.095 2.165 0.913 0.824 0.923 0.923 CB 1.539 14 residues pruned to eliminate duplicates Z: 17 32.196 2.278 0.783 0.832 0.938 0.562 CB 1.587 Z: 96 66.090 2.291 0.817 0.550 0.926 0.663 CB 1.675 63 residues pruned to eliminate duplicates Z: 16 28.779 2.317 0.400 0.896 0.933 0.733 CA 1.757 17 residues pruned to eliminate duplicates Z: 9 24.639 2.213 1.098 0.714 0.875 0.750 CB 1.766 9 residues pruned to eliminate duplicates Z: 18 30.937 2.106 0.758 0.798 1.000 0.706 CB 1.561 18 residues pruned to eliminate duplicates Z: 16 30.268 2.238 0.590 0.942 1.000 0.867 CB 1.523 16 residues pruned to eliminate duplicates Z: 11 29.656 2.507 0.602 0.857 0.900 0.900 CB 1.912 11 residues pruned to eliminate duplicates Z: 15 29.728 2.111 0.615 0.847 1.000 0.857 CB 1.731 15 residues pruned to eliminate duplicates Z: 16 37.200 2.256 0.705 0.933 1.000 0.600 CA 1.743 15 residues pruned to eliminate duplicates Z: 14 32.122 2.175 0.909 0.837 1.000 0.923 CA 1.605 14 residues pruned to eliminate duplicates Z: 18 30.162 2.180 0.688 0.889 0.941 0.882 CA 1.521 18 residues pruned to eliminate duplicates Z: 65 47.766 2.279 0.718 0.487 0.938 0.578 CB 1.648 31 residues pruned to eliminate duplicates Z: 16 29.074 2.044 0.951 0.840 0.933 0.867 CB 1.505 16 residues pruned to eliminate duplicates Z: 17 29.512 2.237 0.497 0.873 0.938 0.875 CA 1.712 17 residues pruned to eliminate duplicates Z: 60 49.867 2.310 0.758 0.551 0.915 0.661 CB 1.661 31 residues pruned to eliminate duplicates Z: 32 24.180 2.123 0.758 0.459 0.839 0.613 CB 1.447 14 residues pruned to eliminate duplicates Z: 17 32.344 2.274 0.625 0.912 0.938 0.875 CA 1.653 17 residues pruned to eliminate duplicates Z: 94 68.989 2.305 0.829 0.555 0.935 0.677 CB 1.718 94 residues pruned to eliminate duplicates Z: 16 33.140 2.314 0.621 0.907 0.933 0.867 CA 1.737 16 residues pruned to eliminate duplicates Z: 16 34.286 2.228 0.642 0.953 1.000 0.933 CB 1.666 16 residues pruned to eliminate duplicates Z: 49 37.873 2.238 0.722 0.485 0.875 0.583 CB 1.646 49 residues pruned to eliminate duplicates Z: 17 29.810 2.212 0.569 0.931 0.938 0.812 CA 1.600 17 residues pruned to eliminate duplicates Z: 49 33.130 2.222 0.556 0.481 0.875 0.583 CB 1.610 49 residues pruned to eliminate duplicates Z: 10 15.833 2.223 1.014 0.507 0.778 0.667 CA 1.505 Z: 33 27.728 2.119 0.864 0.506 0.938 0.531 CB 1.316 10 residues pruned to eliminate duplicates Z: 16 34.067 2.288 0.626 0.924 1.000 0.867 CA 1.660 16 residues pruned to eliminate duplicates Z: 76 49.228 2.266 0.695 0.526 0.920 0.613 CB 1.567 59 residues pruned to eliminate duplicates Z: 16 31.733 2.235 0.692 0.926 1.000 0.600 CB 1.520 16 residues pruned to eliminate duplicates Z: 12 28.254 2.297 0.733 0.910 1.000 0.909 CB 1.518 12 residues pruned to eliminate duplicates Z: 15 28.354 2.162 0.742 0.830 0.929 0.786 CB 1.629 15 residues pruned to eliminate duplicates Z: 16 28.910 2.180 0.677 0.867 1.000 0.800 CB 1.493 16 residues pruned to eliminate duplicates Z: 17 26.565 2.125 0.483 0.929 1.000 0.875 CB 1.474 17 residues pruned to eliminate duplicates Z: 23 20.649 2.105 0.648 0.496 0.909 0.727 CB 1.402 24 residues pruned to eliminate duplicates Z: 53 35.553 2.132 0.801 0.525 0.923 0.654 CB 1.358 23 residues pruned to eliminate duplicates Z: 18 26.794 2.172 1.150 0.532 0.824 0.647 CA 1.637 18 residues pruned to eliminate duplicates Z: 14 34.647 2.175 1.165 0.867 1.000 0.846 CB 1.493 14 residues pruned to eliminate duplicates Z: 25 20.145 2.087 0.820 0.426 0.875 0.708 CB 1.337 25 residues pruned to eliminate duplicates Z: 32 30.218 2.008 0.663 0.621 1.000 0.710 CB 1.450 Z: 46 37.003 2.300 0.586 0.515 0.911 0.733 CB 1.635 46 residues pruned to eliminate duplicates Z: 16 39.727 2.324 0.754 0.934 1.000 0.933 CA 1.755 16 residues pruned to eliminate duplicates Z: 15 35.270 2.153 1.041 0.818 0.929 0.643 CB 1.753 15 residues pruned to eliminate duplicates Z: 15 27.529 2.009 0.882 0.852 0.929 0.857 CA 1.549 15 residues pruned to eliminate duplicates Z: 61 36.125 2.052 0.758 0.489 0.917 0.650 CB 1.427 65 residues pruned to eliminate duplicates Z: 16 31.726 2.311 0.471 0.936 1.000 1.000 CA 1.678 16 residues pruned to eliminate duplicates Z: 14 18.572 1.830 0.637 0.856 1.000 0.846 CB 1.268 16 residues pruned to eliminate duplicates Z: 18 27.110 2.176 0.528 0.820 0.941 0.765 CB 1.592 18 residues pruned to eliminate duplicates Z: 25 19.463 2.106 0.756 0.455 0.833 0.708 CB 1.350 14 residues pruned to eliminate duplicates Z: 19 19.808 2.123 0.865 0.456 0.889 0.667 CB 1.387 19 residues pruned to eliminate duplicates Z: 64 44.667 2.247 0.738 0.493 0.905 0.619 CB 1.604 64 residues pruned to eliminate duplicates Z: 60 32.950 2.181 0.516 0.450 0.915 0.610 CB 1.492 60 residues pruned to eliminate duplicates Z: 19 18.894 2.097 0.975 0.344 0.833 0.611 CB 1.528 19 residues pruned to eliminate duplicates Z: 15 37.931 2.350 0.795 0.936 1.000 0.857 CA 1.673 15 residues pruned to eliminate duplicates Z: 97 69.869 2.275 0.868 0.548 0.958 0.667 CB 1.672 97 residues pruned to eliminate duplicates Z: 104 69.128 2.280 0.850 0.538 0.942 0.641 CB 1.652 106 residues pruned to eliminate duplicates Z: 31 25.032 2.150 0.768 0.464 0.933 0.600 CB 1.336 31 residues pruned to eliminate duplicates Z: 32 25.547 1.970 0.704 0.561 0.968 0.677 CB 1.331 30 residues pruned to eliminate duplicates Z: 10 38.483 2.515 0.894 0.916 1.000 1.000 CB 1.901 11 residues pruned to eliminate duplicates Z: 12 32.797 2.276 0.986 0.946 1.000 0.818 CA 1.513 12 residues pruned to eliminate duplicates Z: 15 24.234 2.241 0.528 0.918 0.929 0.714 CB 1.437 15 residues pruned to eliminate duplicates Z: 41 37.350 2.164 0.774 0.595 0.900 0.475 CB 1.561 41 residues pruned to eliminate duplicates Z: 15 25.764 2.376 0.157 0.924 1.000 0.929 CB 1.759 15 residues pruned to eliminate duplicates Z: 15 26.028 2.149 0.779 0.842 0.857 0.500 CB 1.582 15 residues pruned to eliminate duplicates Z: 17 28.979 2.238 0.487 0.844 1.000 0.750 CB 1.619 17 residues pruned to eliminate duplicates Z: 16 14.466 1.915 0.535 0.521 0.867 0.800 CB 1.436 16 residues pruned to eliminate duplicates Z: 37 42.750 2.233 0.912 0.590 0.944 0.778 CB 1.621 36 residues pruned to eliminate duplicates Z: 14 20.460 2.144 0.880 0.442 0.846 0.692 CB 1.765 14 residues pruned to eliminate duplicates Z: 14 29.161 2.227 0.940 0.823 0.923 0.846 CB 1.534 14 residues pruned to eliminate duplicates Z: 12 13.236 1.957 0.889 0.408 0.727 0.636 CB 1.635 12 residues pruned to eliminate duplicates Z: 15 34.617 2.372 0.635 0.933 1.000 0.929 CA 1.665 15 residues pruned to eliminate duplicates Z: 32 32.627 2.015 0.805 0.629 1.000 0.774 CB 1.427 32 residues pruned to eliminate duplicates Z: 16 32.485 2.297 0.494 0.931 1.000 1.000 CA 1.708 16 residues pruned to eliminate duplicates Z: 61 47.657 2.259 0.697 0.551 0.917 0.500 CB 1.666 61 residues pruned to eliminate duplicates Z: 15 28.513 2.187 0.773 0.829 0.929 0.929 CB 1.593 15 residues pruned to eliminate duplicates Z: 16 34.538 2.336 0.624 0.907 0.933 0.867 CB 1.790 16 residues pruned to eliminate duplicates Z: 15 25.582 2.166 0.571 0.919 1.000 0.571 CB 1.416 15 residues pruned to eliminate duplicates Z: 12 39.308 2.465 0.920 0.868 1.000 0.818 CB 1.830 11 residues pruned to eliminate duplicates Z: 25 21.244 2.079 0.764 0.448 0.917 0.750 CB 1.361 19 residues pruned to eliminate duplicates Z: 15 22.504 2.149 0.342 0.928 1.000 0.857 CB 1.460 15 residues pruned to eliminate duplicates Z: 18 18.598 2.224 0.751 0.510 0.882 0.588 CB 1.299 18 residues pruned to eliminate duplicates Z: 95 72.499 2.306 0.928 0.559 0.926 0.691 CB 1.717 95 residues pruned to eliminate duplicates Z: 69 48.086 2.241 0.774 0.465 0.926 0.559 CB 1.640 69 residues pruned to eliminate duplicates Z: 17 33.289 2.270 0.698 0.925 0.938 0.812 CA 1.617 17 residues pruned to eliminate duplicates Z: 16 27.026 2.303 0.406 0.925 0.933 0.867 CA 1.620 16 residues pruned to eliminate duplicates Z: 13 35.089 2.250 1.152 0.849 1.000 0.667 CA 1.550 13 residues pruned to eliminate duplicates Z: 32 21.215 2.075 0.813 0.453 0.806 0.645 CB 1.318 32 residues pruned to eliminate duplicates Z: 15 32.667 2.167 0.949 0.781 0.929 0.357 CB 1.739 15 residues pruned to eliminate duplicates Z: 47 35.542 2.066 0.892 0.531 0.935 0.565 CB 1.391 45 residues pruned to eliminate duplicates Z: 10 17.181 1.945 0.746 0.653 0.889 0.778 CA 1.645 10 residues pruned to eliminate duplicates Z: 15 28.908 2.169 0.735 0.825 0.929 0.786 CB 1.669 15 residues pruned to eliminate duplicates Z: 63 46.394 2.248 0.782 0.546 0.919 0.677 CB 1.529 41 residues pruned to eliminate duplicates Z: 17 30.035 2.201 0.608 0.876 0.938 0.625 CA 1.645 17 residues pruned to eliminate duplicates Z: 14 32.365 2.248 0.811 0.862 1.000 0.846 CB 1.620 14 residues pruned to eliminate duplicates Z: 17 18.577 2.186 0.648 0.521 0.875 0.562 CB 1.443 17 residues pruned to eliminate duplicates Z: 17 30.794 2.119 0.640 0.892 1.000 0.750 CB 1.591 17 residues pruned to eliminate duplicates Z: 15 21.351 2.032 0.618 0.655 1.000 0.857 CB 1.503 15 residues pruned to eliminate duplicates Z: 14 14.037 2.006 0.517 0.536 0.846 0.615 CB 1.460 14 residues pruned to eliminate duplicates Z: 57 47.006 2.265 0.762 0.516 0.929 0.625 CA 1.669 57 residues pruned to eliminate duplicates Z: 15 18.930 2.028 0.557 0.585 1.000 0.857 CB 1.477 15 residues pruned to eliminate duplicates Z: 18 18.677 2.130 0.842 0.495 0.941 0.588 CB 1.233 18 residues pruned to eliminate duplicates Z: 16 36.272 2.318 0.747 0.939 0.933 0.733 CA 1.721 16 residues pruned to eliminate duplicates Z: 41 42.329 2.297 0.686 0.606 0.950 0.700 CB 1.645 41 residues pruned to eliminate duplicates Z: 15 14.948 1.949 0.472 0.506 0.929 0.643 CB 1.491 15 residues pruned to eliminate duplicates Z: 95 54.136 2.221 0.699 0.539 0.947 0.681 CB 1.505 95 residues pruned to eliminate duplicates Z: 64 46.922 2.296 0.631 0.502 0.952 0.587 CB 1.655 64 residues pruned to eliminate duplicates Z: 9 10.318 1.946 0.744 0.495 0.750 0.750 CA 1.440 9 residues pruned to eliminate duplicates Z: 93 53.630 2.229 0.671 0.528 0.946 0.630 CB 1.544 93 residues pruned to eliminate duplicates Z: 17 31.253 2.221 0.757 0.887 0.938 0.812 CA 1.539 17 residues pruned to eliminate duplicates Z: 29 14.570 1.972 0.606 0.323 0.821 0.536 CB 1.286 23 residues pruned to eliminate duplicates Z: 29 33.980 2.074 0.761 0.662 1.000 0.786 CB 1.513 29 residues pruned to eliminate duplicates Z: 14 19.932 1.843 0.893 0.864 1.000 0.769 CB 1.162 14 residues pruned to eliminate duplicates Z: 21 25.875 2.249 0.638 0.463 0.950 0.600 CB 1.717 21 residues pruned to eliminate duplicates Z: 20 15.861 1.942 0.921 0.397 0.895 0.474 CB 1.215 20 residues pruned to eliminate duplicates Z: 32 28.504 1.983 0.775 0.620 0.968 0.806 CB 1.342 32 residues pruned to eliminate duplicates Z: 16 28.785 2.187 0.702 0.924 0.933 0.667 CB 1.502 16 residues pruned to eliminate duplicates Z: 63 48.727 2.273 0.780 0.537 0.919 0.694 CB 1.604 63 residues pruned to eliminate duplicates Z: 16 25.436 2.297 0.533 0.831 0.867 0.600 CA 1.616 16 residues pruned to eliminate duplicates Z: 81 56.570 2.298 0.764 0.515 0.925 0.600 CB 1.663 81 residues pruned to eliminate duplicates Z: 11 35.759 2.492 0.762 0.848 1.000 0.800 CB 1.911 11 residues pruned to eliminate duplicates Z: 16 30.252 2.280 0.434 0.920 1.000 0.933 CA 1.683 16 residues pruned to eliminate duplicates Z: 15 26.357 2.115 0.815 0.811 0.929 0.714 CB 1.507 15 residues pruned to eliminate duplicates Z: 44 42.370 2.164 0.967 0.546 0.953 0.674 CB 1.522 44 residues pruned to eliminate duplicates Z: 51 37.005 2.114 0.824 0.517 0.940 0.700 CB 1.420 51 residues pruned to eliminate duplicates Z: 34 27.802 2.011 0.769 0.588 0.970 0.667 CB 1.289 34 residues pruned to eliminate duplicates Z: 17 30.633 2.382 0.485 0.816 0.938 0.750 CA 1.755 17 residues pruned to eliminate duplicates Z: 23 21.888 2.182 0.716 0.468 0.909 0.636 CB 1.416 23 residues pruned to eliminate duplicates Z: 15 19.030 2.314 -0.092 0.934 1.000 0.929 CA 1.688 15 residues pruned to eliminate duplicates Z: 16 28.760 2.194 0.614 0.918 1.000 0.467 CB 1.479 16 residues pruned to eliminate duplicates Z: 13 20.519 1.974 0.731 0.867 1.000 0.833 CB 1.268 13 residues pruned to eliminate duplicates Z: 18 26.618 2.110 0.652 0.862 0.882 0.765 CA 1.541 18 residues pruned to eliminate duplicates Z: 17 26.543 2.153 0.440 0.890 0.938 0.938 CA 1.642 17 residues pruned to eliminate duplicates Z: 32 23.305 2.090 0.641 0.439 0.935 0.548 CB 1.389 32 residues pruned to eliminate duplicates Z: 48 38.427 2.268 0.683 0.484 0.915 0.660 CB 1.631 48 residues pruned to eliminate duplicates Z: 13 15.719 1.890 0.478 0.803 1.000 0.917 CB 1.246 13 residues pruned to eliminate duplicates Z: 16 25.800 2.028 0.765 0.875 0.933 0.533 CB 1.451 16 residues pruned to eliminate duplicates Z: 12 15.694 1.981 0.584 0.660 0.909 0.818 CB 1.430 12 residues pruned to eliminate duplicates Z: 14 17.078 2.062 0.989 0.400 0.923 0.615 CB 1.390 14 residues pruned to eliminate duplicates Z: 17 22.387 2.178 0.196 0.912 1.000 0.875 CA 1.521 17 residues pruned to eliminate duplicates Z: 111 61.103 2.245 0.799 0.505 0.918 0.627 CB 1.563 111 residues pruned to eliminate duplicates Z: 28 28.389 2.248 0.944 0.511 0.889 0.667 CB 1.392 30 residues pruned to eliminate duplicates Z: 23 25.331 2.226 0.857 0.393 0.909 0.545 CB 1.610 23 residues pruned to eliminate duplicates Z: 9 9.473 1.952 1.234 0.391 0.625 0.500 CA 1.379 9 residues pruned to eliminate duplicates Z: 17 31.725 2.254 0.732 0.900 0.875 0.750 CA 1.658 17 residues pruned to eliminate duplicates Z: 11 17.599 1.998 0.897 0.572 0.900 0.700 CB 1.523 11 residues pruned to eliminate duplicates Z: 32 31.421 2.003 0.781 0.628 1.000 0.774 CB 1.403 32 residues pruned to eliminate duplicates Z: 55 38.212 2.222 0.733 0.457 0.870 0.556 CB 1.622 55 residues pruned to eliminate duplicates Z: 17 20.271 2.177 0.871 0.355 0.875 0.688 CB 1.663 17 residues pruned to eliminate duplicates Z: 62 47.271 2.250 0.696 0.557 0.951 0.672 CB 1.578 62 residues pruned to eliminate duplicates Z: 15 18.694 2.061 0.478 0.663 1.000 0.786 CB 1.409 15 residues pruned to eliminate duplicates Z: 13 6.310 1.854 0.532 0.280 0.750 0.500 CB 1.096 13 residues pruned to eliminate duplicates Z: 70 46.609 2.229 0.746 0.489 0.928 0.609 CB 1.571 70 residues pruned to eliminate duplicates Z: 9 9.951 1.827 0.957 0.464 0.875 0.625 CA 1.166 9 residues pruned to eliminate duplicates Z: 65 49.388 2.259 0.855 0.531 0.922 0.641 CB 1.550 65 residues pruned to eliminate duplicates Z: 52 48.463 2.325 0.743 0.585 0.941 0.667 CB 1.640 10 residues pruned to eliminate duplicates Z: 51 41.344 2.264 0.724 0.493 0.940 0.640 CB 1.605 30 residues pruned to eliminate duplicates Z: 6 5.948 1.586 0.893 0.636 0.800 0.600 CA 0.974 6 residues pruned to eliminate duplicates Z: 12 22.960 2.332 0.839 0.529 0.909 0.727 CA 1.725 12 residues pruned to eliminate duplicates Z: 82 56.433 2.241 0.849 0.523 0.926 0.630 CB 1.596 82 residues pruned to eliminate duplicates Z: 23 23.646 2.165 0.768 0.485 0.955 0.727 CB 1.401 23 residues pruned to eliminate duplicates Z: 30 24.033 2.146 0.773 0.483 0.931 0.552 CB 1.282 30 residues pruned to eliminate duplicates Z: 36 38.807 2.242 0.735 0.564 0.971 0.686 CB 1.631 36 residues pruned to eliminate duplicates Z: 15 13.919 1.731 0.578 0.850 0.929 0.571 CB 1.086 15 residues pruned to eliminate duplicates Z: 73 47.010 2.202 0.853 0.490 0.889 0.681 CB 1.543 73 residues pruned to eliminate duplicates Z: 15 19.942 1.819 0.850 0.802 1.000 0.714 CB 1.217 15 residues pruned to eliminate duplicates Z: 42 42.935 2.286 0.752 0.608 0.951 0.537 CB 1.589 42 residues pruned to eliminate duplicates Z: 93 50.635 2.241 0.648 0.515 0.924 0.630 CB 1.525 93 residues pruned to eliminate duplicates Z: 31 21.261 2.069 0.732 0.451 0.833 0.600 CB 1.368 25 residues pruned to eliminate duplicates Z: 14 17.763 1.884 0.521 0.888 1.000 0.923 CB 1.239 14 residues pruned to eliminate duplicates Z: 112 56.084 2.194 0.705 0.523 0.919 0.640 CB 1.514 112 residues pruned to eliminate duplicates Z: 16 8.530 1.684 0.743 0.472 0.800 0.600 CB 0.965 Z: 14 20.947 1.934 0.789 0.818 1.000 0.769 CB 1.274 14 residues pruned to eliminate duplicates Z: 42 31.492 2.068 0.790 0.563 0.951 0.732 CB 1.314 29 residues pruned to eliminate duplicates Z: 17 31.423 2.203 0.778 0.898 0.938 0.750 CA 1.530 17 residues pruned to eliminate duplicates Z: 10 19.463 1.998 1.151 0.693 0.889 0.778 C 1.423 10 residues pruned to eliminate duplicates Z: 51 35.406 2.104 0.689 0.555 0.940 0.720 CB 1.420 51 residues pruned to eliminate duplicates Z: 23 25.053 2.174 0.482 0.669 0.955 0.636 CB 1.486 23 residues pruned to eliminate duplicates Z: 27 23.894 2.112 0.806 0.492 0.846 0.615 CB 1.464 27 residues pruned to eliminate duplicates Z: 31 20.256 2.111 0.626 0.476 0.900 0.567 CB 1.227 31 residues pruned to eliminate duplicates Z: 17 33.649 2.241 0.650 0.893 0.938 0.750 CB 1.741 17 residues pruned to eliminate duplicates Z: 32 30.129 1.996 0.734 0.637 1.000 0.677 CB 1.375 32 residues pruned to eliminate duplicates Z: 22 16.618 1.973 0.639 0.497 0.810 0.667 CB 1.390 22 residues pruned to eliminate duplicates Z: 95 66.622 2.260 0.880 0.560 0.926 0.617 CB 1.649 95 residues pruned to eliminate duplicates Z: 9 8.028 1.691 1.182 0.626 0.875 0.625 CB 0.781 9 residues pruned to eliminate duplicates Z: 17 20.997 2.025 0.868 0.557 0.938 0.688 CB 1.401 17 residues pruned to eliminate duplicates Z: 88 50.833 2.269 0.719 0.499 0.908 0.655 CB 1.540 88 residues pruned to eliminate duplicates Z: 15 14.704 2.016 1.122 0.402 0.857 0.500 CB 1.188 15 residues pruned to eliminate duplicates Z: 32 26.512 1.928 0.818 0.586 0.968 0.677 CB 1.292 32 residues pruned to eliminate duplicates Z: 16 26.976 2.268 0.550 0.879 0.933 0.933 CB 1.539 16 residues pruned to eliminate duplicates Z: 95 57.131 2.244 0.670 0.551 0.957 0.691 CB 1.563 95 residues pruned to eliminate duplicates Z: 7 8.840 1.309 0.947 0.843 1.000 1.000 CB 1.054 Z: 6 4.182 1.549 0.504 0.580 0.800 0.800 C 0.928 6 residues pruned to eliminate duplicates Z: 37 39.885 2.200 0.751 0.590 0.944 0.611 CB 1.678 37 residues pruned to eliminate duplicates Z: 93 56.414 2.269 0.700 0.562 0.935 0.663 CB 1.536 93 residues pruned to eliminate duplicates Z: 13 32.399 2.254 1.033 0.855 1.000 0.750 CA 1.506 13 residues pruned to eliminate duplicates Z: 11 8.239 1.941 0.784 0.297 0.700 0.600 CA 1.348 11 residues pruned to eliminate duplicates Z: 15 22.001 1.964 0.759 0.897 0.929 0.571 CB 1.312 15 residues pruned to eliminate duplicates Z: 43 50.256 2.299 1.065 0.574 0.905 0.714 CB 1.681 43 residues pruned to eliminate duplicates Z: 16 25.915 2.188 0.517 0.924 1.000 0.867 CB 1.416 16 residues pruned to eliminate duplicates Z: 14 21.793 1.928 0.801 0.858 1.000 0.769 CB 1.282 14 residues pruned to eliminate duplicates Z: 14 22.017 1.929 0.920 0.852 1.000 0.923 CB 1.220 14 residues pruned to eliminate duplicates Z: 15 20.213 2.159 1.135 0.383 0.786 0.571 C 1.690 15 residues pruned to eliminate duplicates Z: 12 39.382 2.317 0.951 0.908 1.000 0.909 CA 1.865 12 residues pruned to eliminate duplicates Z: 14 19.514 2.108 0.540 0.741 0.923 0.538 CB 1.456 14 residues pruned to eliminate duplicates Z: 28 29.122 2.210 0.650 0.613 0.963 0.667 CB 1.434 28 residues pruned to eliminate duplicates Z: 37 37.194 2.221 0.706 0.525 0.944 0.694 CB 1.690 37 residues pruned to eliminate duplicates Z: 6 2.766 1.780 -0.027 0.371 0.800 0.400 CB 1.025 Z: 65 55.404 2.243 0.912 0.549 0.938 0.609 CB 1.643 65 residues pruned to eliminate duplicates Z: 47 37.069 2.140 0.765 0.560 0.935 0.717 CB 1.461 47 residues pruned to eliminate duplicates Z: 94 56.400 2.238 0.690 0.556 0.946 0.688 CB 1.548 71 residues pruned to eliminate duplicates Z: 16 31.568 2.188 0.905 0.861 0.933 0.467 CA 1.539 16 residues pruned to eliminate duplicates Z: 33 25.167 1.982 0.641 0.635 1.000 0.719 CB 1.205 33 residues pruned to eliminate duplicates Z: 29 26.693 2.121 0.926 0.465 0.964 0.571 CB 1.327 29 residues pruned to eliminate duplicates Z: 26 28.059 2.255 0.829 0.399 0.960 0.640 CB 1.577 26 residues pruned to eliminate duplicates Z: 30 23.297 2.118 0.909 0.461 0.897 0.724 CB 1.242 30 residues pruned to eliminate duplicates Z: 71 39.315 2.193 0.750 0.456 0.857 0.643 CB 1.495 71 residues pruned to eliminate duplicates Z: 16 32.313 2.190 0.724 0.942 1.000 0.667 CB 1.532 16 residues pruned to eliminate duplicates Z: 11 17.155 2.113 0.708 0.571 0.900 0.900 C 1.559 11 residues pruned to eliminate duplicates Z: 62 47.028 2.281 0.663 0.499 0.934 0.623 CB 1.700 62 residues pruned to eliminate duplicates Z: 11 9.688 1.982 0.501 0.538 0.700 0.700 CB 1.418 11 residues pruned to eliminate duplicates Z: 16 29.880 2.263 0.375 0.895 1.000 0.867 CA 1.777 16 residues pruned to eliminate duplicates Z: 32 29.381 2.002 0.712 0.622 0.968 0.774 CB 1.418 32 residues pruned to eliminate duplicates Z: 38 33.555 2.190 0.720 0.534 0.919 0.595 CB 1.541 38 residues pruned to eliminate duplicates Z: 50 47.448 2.215 0.935 0.508 0.959 0.673 CB 1.636 50 residues pruned to eliminate duplicates Z: 16 30.855 2.340 0.530 0.879 0.933 0.667 CA 1.728 16 residues pruned to eliminate duplicates Z: 15 24.349 2.248 0.301 0.944 1.000 0.929 CB 1.540 15 residues pruned to eliminate duplicates Z: 33 46.302 2.319 1.020 0.576 0.938 0.688 CB 1.732 33 residues pruned to eliminate duplicates Z: 41 33.670 2.102 0.817 0.575 0.875 0.675 CB 1.482 41 residues pruned to eliminate duplicates Z: 46 37.599 2.174 0.859 0.563 0.933 0.733 CB 1.398 46 residues pruned to eliminate duplicates Z: 11 18.045 2.039 0.735 0.708 1.000 0.900 CB 1.336 11 residues pruned to eliminate duplicates Z: 23 30.455 2.280 0.822 0.557 0.955 0.682 CB 1.549 23 residues pruned to eliminate duplicates Z: 26 20.425 2.110 0.688 0.432 0.880 0.440 CB 1.398 26 residues pruned to eliminate duplicates Z: 15 11.638 1.981 0.706 0.328 0.857 0.500 CB 1.296 15 residues pruned to eliminate duplicates Z: 18 30.853 2.287 0.886 0.658 0.882 0.706 CB 1.697 18 residues pruned to eliminate duplicates Z: 77 56.443 2.281 0.887 0.530 0.934 0.697 CB 1.562 89 residues pruned to eliminate duplicates Z: 42 29.269 2.106 0.809 0.479 0.927 0.659 CB 1.323 42 residues pruned to eliminate duplicates Z: 17 28.559 2.192 0.655 0.876 0.875 0.688 CB 1.635 17 residues pruned to eliminate duplicates Z: 46 43.543 2.253 0.801 0.543 0.956 0.667 CB 1.605 46 residues pruned to eliminate duplicates Z: 6 6.772 1.752 0.665 0.609 0.800 0.600 CB 1.170 6 residues pruned to eliminate duplicates Z: 7 12.912 1.916 0.691 0.644 1.000 0.500 CA 1.421 Z: 9 9.621 1.983 0.563 0.382 1.000 0.250 CB 1.244 7 residues pruned to eliminate duplicates Z: 15 25.169 2.258 0.756 0.465 1.000 0.714 CA 1.760 15 residues pruned to eliminate duplicates Z: 13 31.516 2.219 1.088 0.871 0.917 0.583 CA 1.563 13 residues pruned to eliminate duplicates Z: 10 18.829 2.091 0.870 0.661 0.889 0.889 CA 1.555 10 residues pruned to eliminate duplicates Z: 15 19.415 1.880 0.911 0.811 0.929 0.643 CB 1.187 15 residues pruned to eliminate duplicates Z: 8 3.734 1.710 0.177 0.279 0.857 0.714 CB 1.050 14 residues pruned to eliminate duplicates Z: 9 7.498 1.628 1.024 0.743 0.875 0.750 CB 0.740 9 residues pruned to eliminate duplicates Z: 38 32.611 2.201 0.659 0.535 0.946 0.649 CB 1.500 38 residues pruned to eliminate duplicates Z: 17 35.040 2.330 0.838 0.691 1.000 0.750 CB 1.717 17 residues pruned to eliminate duplicates Z: 16 31.778 2.310 0.525 0.915 0.933 0.867 CA 1.764 16 residues pruned to eliminate duplicates Z: 17 21.029 2.205 0.286 0.814 1.000 0.875 CB 1.410 17 residues pruned to eliminate duplicates Z: 18 14.864 2.150 0.797 0.487 0.765 0.706 CB 1.235 18 residues pruned to eliminate duplicates Z: 15 30.360 2.088 0.700 0.885 1.000 0.929 CB 1.650 15 residues pruned to eliminate duplicates Z: 32 28.762 2.003 0.720 0.618 0.968 0.806 CB 1.386 32 residues pruned to eliminate duplicates Z: 50 39.280 2.196 0.816 0.556 0.939 0.714 CB 1.420 50 residues pruned to eliminate duplicates Z: 25 22.354 2.044 0.816 0.513 0.875 0.458 CA 1.387 25 residues pruned to eliminate duplicates Z: 9 8.268 1.932 0.276 0.423 1.000 0.750 CB 1.284 9 residues pruned to eliminate duplicates Z: 88 49.907 2.224 0.805 0.493 0.897 0.621 CB 1.497 88 residues pruned to eliminate duplicates Z: 6 2.662 1.631 0.266 0.724 0.800 0.800 CB 0.589 Z: 17 14.857 2.093 0.668 0.486 0.875 0.688 CB 1.233 17 residues pruned to eliminate duplicates Z: 11 20.260 2.058 0.938 0.558 1.000 0.800 CB 1.519 11 residues pruned to eliminate duplicates Z: 7 3.004 1.777 0.712 0.272 0.500 0.500 CB 1.045 Z: 16 13.378 1.718 0.302 0.847 1.000 0.667 CB 1.146 16 residues pruned to eliminate duplicates Z: 22 15.905 2.044 0.414 0.410 0.905 0.476 CB 1.458 22 residues pruned to eliminate duplicates Z: 48 39.417 2.314 0.575 0.558 0.936 0.596 CB 1.592 48 residues pruned to eliminate duplicates Z: 39 39.082 2.253 0.735 0.576 0.947 0.658 CB 1.590 39 residues pruned to eliminate duplicates Z: 86 48.415 2.208 0.849 0.480 0.882 0.588 CB 1.487 86 residues pruned to eliminate duplicates Z: 121 60.157 2.178 0.837 0.510 0.917 0.567 CB 1.483 121 residues pruned to eliminate duplicates Z: 6 8.235 1.691 0.340 0.673 1.000 0.800 CA 1.386 Z: 86 57.385 2.258 0.930 0.527 0.894 0.694 CB 1.555 84 residues pruned to eliminate duplicates Z: 31 31.143 2.023 0.756 0.636 0.967 0.833 CB 1.458 32 residues pruned to eliminate duplicates Z: 14 22.041 1.889 0.889 0.869 1.000 0.692 CB 1.252 14 residues pruned to eliminate duplicates Z: 10 19.229 2.097 0.638 0.701 1.000 0.778 CB 1.554 10 residues pruned to eliminate duplicates Z: 29 23.780 2.168 0.709 0.463 0.893 0.643 CB 1.411 29 residues pruned to eliminate duplicates Z: 6 9.123 1.988 0.658 0.485 0.800 0.400 CA 1.572 6 residues pruned to eliminate duplicates Z: 15 31.099 2.033 1.102 0.878 0.929 0.643 CA 1.520 15 residues pruned to eliminate duplicates Z: 36 39.431 2.252 0.807 0.558 0.943 0.714 CB 1.642 36 residues pruned to eliminate duplicates Z: 14 29.067 2.171 0.890 0.855 0.923 0.769 CB 1.570 14 residues pruned to eliminate duplicates Z: 82 67.368 2.298 0.882 0.565 0.938 0.679 CB 1.732 82 residues pruned to eliminate duplicates Z: 13 13.788 1.923 0.287 0.808 1.000 0.833 CA 1.229 13 residues pruned to eliminate duplicates Z: 98 53.247 2.199 0.825 0.493 0.907 0.608 CB 1.496 98 residues pruned to eliminate duplicates Z: 27 24.932 2.126 0.851 0.372 0.962 0.577 CB 1.481 27 residues pruned to eliminate duplicates Z: 11 13.212 2.138 0.461 0.576 0.900 0.800 CB 1.381 11 residues pruned to eliminate duplicates Z: 12 17.536 2.081 0.910 0.459 0.909 0.727 CB 1.526 12 residues pruned to eliminate duplicates Z: 59 47.387 2.254 0.747 0.546 0.948 0.724 CB 1.593 59 residues pruned to eliminate duplicates Z: 63 40.088 2.172 0.718 0.539 0.887 0.613 CB 1.480 63 residues pruned to eliminate duplicates Z: 53 46.736 2.302 0.906 0.575 0.885 0.596 CB 1.554 53 residues pruned to eliminate duplicates Z: 9 5.954 1.740 0.513 0.597 0.875 0.750 CB 0.833 Z: 14 22.297 1.945 1.000 0.832 0.923 0.769 CB 1.293 14 residues pruned to eliminate duplicates Z: 11 18.764 2.038 0.585 0.720 1.000 0.900 CB 1.506 31 residues pruned to eliminate duplicates Z: 15 41.692 2.352 0.861 0.942 1.000 0.714 CA 1.765 15 residues pruned to eliminate duplicates Z: 6 6.762 1.667 0.480 0.680 0.800 0.600 CA 1.298 Z: 32 28.137 1.996 0.679 0.613 1.000 0.710 CB 1.355 32 residues pruned to eliminate duplicates Z: 55 41.605 2.250 0.615 0.534 0.944 0.556 CB 1.596 55 residues pruned to eliminate duplicates Z: 18 27.931 2.053 0.710 0.901 0.882 0.765 CA 1.561 18 residues pruned to eliminate duplicates Z: 33 29.530 2.101 0.712 0.599 0.969 0.750 CB 1.363 33 residues pruned to eliminate duplicates Z: 52 42.962 2.192 0.745 0.550 0.941 0.569 CA 1.593 52 residues pruned to eliminate duplicates Z: 16 22.307 2.112 1.183 0.552 0.867 0.733 CB 1.370 16 residues pruned to eliminate duplicates Z: 13 26.884 2.166 0.583 0.901 1.000 0.833 CB 1.615 13 residues pruned to eliminate duplicates Z: 10 9.793 1.710 0.554 0.618 1.000 0.556 CB 1.099 11 residues pruned to eliminate duplicates Z: 16 27.353 2.183 0.584 0.907 1.000 0.933 CB 1.452 16 residues pruned to eliminate duplicates Z: 8 3.291 1.478 0.139 0.479 0.714 0.571 O 1.057 Z: 57 41.833 2.279 0.577 0.509 0.982 0.625 CB 1.569 57 residues pruned to eliminate duplicates Z: 17 28.405 2.175 0.421 0.924 1.000 0.875 CB 1.614 17 residues pruned to eliminate duplicates Z: 22 21.790 2.124 0.796 0.382 0.857 0.524 CB 1.648 22 residues pruned to eliminate duplicates Z: 16 26.617 2.174 0.426 0.924 1.000 1.000 CB 1.557 16 residues pruned to eliminate duplicates Z: 10 22.780 2.255 0.424 0.883 1.000 1.000 CA 1.709 10 residues pruned to eliminate duplicates Z: 11 18.806 2.043 0.595 0.705 1.000 0.900 CB 1.514 11 residues pruned to eliminate duplicates Z: 48 36.789 2.118 0.786 0.552 0.936 0.702 CB 1.440 48 residues pruned to eliminate duplicates Z: 6 2.546 1.543 1.235 0.688 0.800 0.600 CB 0.347 Z: 14 21.110 1.868 0.892 0.862 1.000 0.692 CB 1.216 14 residues pruned to eliminate duplicates Z: 26 24.575 1.847 0.899 0.657 0.920 0.720 CB 1.317 26 residues pruned to eliminate duplicates Z: 12 26.684 2.194 0.782 0.898 1.000 0.727 CA 1.472 12 residues pruned to eliminate duplicates Z: 21 19.800 1.987 0.901 0.597 0.800 0.700 CB 1.335 21 residues pruned to eliminate duplicates Z: 11 17.718 2.145 0.365 0.858 0.900 0.800 CB 1.566 11 residues pruned to eliminate duplicates Z: 13 18.745 1.892 0.752 0.860 1.000 0.833 CB 1.200 13 residues pruned to eliminate duplicates Z: 18 31.155 2.104 0.833 0.871 0.941 0.824 CA 1.519 18 residues pruned to eliminate duplicates Z: 62 41.710 2.278 0.574 0.499 0.902 0.590 CB 1.654 62 residues pruned to eliminate duplicates Z: 6 4.561 1.624 0.141 0.614 0.800 0.800 CB 1.235 Z: 19 17.090 2.024 0.890 0.470 0.889 0.611 CB 1.221 19 residues pruned to eliminate duplicates Z: 14 22.914 2.216 1.115 0.440 1.000 0.615 CA 1.443 14 residues pruned to eliminate duplicates Z: 73 48.154 2.177 0.867 0.512 0.875 0.556 CB 1.578 73 residues pruned to eliminate duplicates Z: 14 24.138 2.200 0.794 0.557 1.000 0.769 CA 1.604 14 residues pruned to eliminate duplicates Z: 7 4.953 1.885 0.895 0.356 1.000 0.333 CB 0.661 7 residues pruned to eliminate duplicates Z: 8 3.192 1.297 -0.073 0.635 1.000 0.714 CB 0.884 Z: 6 9.061 1.889 0.372 0.703 1.000 0.800 CB 1.300 5 residues pruned to eliminate duplicates Z: 15 21.708 2.052 0.872 0.463 0.929 0.786 CB 1.689 15 residues pruned to eliminate duplicates Z: 18 20.238 2.063 0.782 0.450 1.000 0.765 CB 1.405 18 residues pruned to eliminate duplicates Z: 50 42.077 2.192 0.778 0.582 0.918 0.612 CB 1.553 50 residues pruned to eliminate duplicates Z: 8 2.765 1.546 -0.119 0.720 0.714 0.714 CB 0.881 6 residues pruned to eliminate duplicates Z: 13 33.564 2.214 0.768 0.920 1.000 0.917 CB 1.743 13 residues pruned to eliminate duplicates Z: 33 20.538 2.043 0.727 0.429 0.906 0.562 CB 1.222 33 residues pruned to eliminate duplicates Z: 26 14.665 1.914 0.878 0.365 0.800 0.480 CB 1.179 26 residues pruned to eliminate duplicates Z: 72 61.155 2.304 0.940 0.531 0.944 0.606 CB 1.669 72 residues pruned to eliminate duplicates Z: 8 4.498 1.598 0.256 0.673 1.000 0.571 CB 0.722 8 residues pruned to eliminate duplicates Z: 43 36.231 2.176 0.661 0.598 0.905 0.714 CA 1.557 43 residues pruned to eliminate duplicates Z: 6 2.296 1.575 -0.243 0.633 1.000 0.800 CB 0.761 6 residues pruned to eliminate duplicates Z: 16 18.021 1.996 1.014 0.523 0.800 0.600 CB 1.414 16 residues pruned to eliminate duplicates Z: 44 45.609 2.304 0.881 0.559 0.930 0.721 CB 1.629 44 residues pruned to eliminate duplicates Z: 50 29.438 2.116 0.533 0.408 0.898 0.510 CA 1.590 50 residues pruned to eliminate duplicates Z: 47 41.024 2.214 0.768 0.540 0.957 0.674 CB 1.553 47 residues pruned to eliminate duplicates Z: 12 9.512 1.727 0.243 0.896 1.000 1.000 CB 0.957 12 residues pruned to eliminate duplicates Z: 51 36.815 2.092 0.887 0.557 0.880 0.600 CB 1.418 51 residues pruned to eliminate duplicates Z: 41 36.843 2.146 0.694 0.574 0.925 0.600 CA 1.612 41 residues pruned to eliminate duplicates Z: 17 23.117 2.085 0.428 0.904 0.938 0.875 CB 1.475 17 residues pruned to eliminate duplicates Z: 25 21.125 2.106 0.552 0.400 0.917 0.542 CA 1.598 25 residues pruned to eliminate duplicates Z: 17 26.863 2.298 0.508 0.783 0.938 0.875 CB 1.611 17 residues pruned to eliminate duplicates Z: 9 8.299 1.614 0.254 0.549 1.000 1.000 C 1.382 9 residues pruned to eliminate duplicates Z: 20 24.341 2.247 0.855 0.603 0.737 0.632 CA 1.649 20 residues pruned to eliminate duplicates Z: 25 19.228 1.753 0.736 0.644 0.917 0.667 CB 1.230 25 residues pruned to eliminate duplicates Z: 9 2.756 1.719 0.527 0.375 0.500 0.375 N 0.849 Z: 30 30.962 2.108 0.826 0.515 0.931 0.690 CA 1.580 30 residues pruned to eliminate duplicates Z: 17 8.420 1.699 0.660 0.341 0.688 0.562 CA 1.291 17 residues pruned to eliminate duplicates Z: 14 12.520 1.881 0.722 0.331 1.000 0.538 CB 1.290 14 residues pruned to eliminate duplicates Z: 56 40.569 2.245 0.643 0.515 0.927 0.618 CB 1.575 56 residues pruned to eliminate duplicates Z: 12 6.315 1.569 0.368 0.506 1.000 0.545 CB 0.883 10 residues pruned to eliminate duplicates Z: 35 36.815 2.244 0.679 0.582 0.971 0.735 CB 1.597 35 residues pruned to eliminate duplicates Z: 14 18.303 1.916 0.616 0.837 1.000 0.923 CB 1.227 14 residues pruned to eliminate duplicates Z: 20 6.971 1.775 0.419 0.271 0.789 0.421 CB 1.043 20 residues pruned to eliminate duplicates Z: 12 27.480 2.449 0.654 0.870 0.818 0.818 CB 1.825 12 residues pruned to eliminate duplicates Z: 17 10.056 1.765 0.722 0.349 0.812 0.625 CB 1.199 26 residues pruned to eliminate duplicates Z: 15 20.707 1.965 0.794 0.542 1.000 0.857 CB 1.506 14 residues pruned to eliminate duplicates Z: 17 20.310 2.101 0.750 0.565 1.000 0.688 CB 1.297 17 residues pruned to eliminate duplicates Z: 16 7.438 1.817 0.603 0.320 0.667 0.467 CB 1.207 16 residues pruned to eliminate duplicates Z: 15 21.452 2.043 1.109 0.404 0.857 0.714 CA 1.716 Z: 47 45.673 2.245 0.883 0.520 0.935 0.674 CB 1.670 47 residues pruned to eliminate duplicates Z: 15 14.572 1.907 0.517 0.557 0.929 0.786 CB 1.372 15 residues pruned to eliminate duplicates Z: 20 17.386 2.055 0.836 0.484 0.947 0.632 CB 1.134 20 residues pruned to eliminate duplicates Z: 20 17.985 2.042 0.674 0.413 0.842 0.579 CB 1.571 20 residues pruned to eliminate duplicates Z: 11 20.044 2.146 0.545 0.895 0.900 0.900 CB 1.522 11 residues pruned to eliminate duplicates Z: 19 18.060 2.103 0.733 0.305 1.000 0.500 CB 1.451 19 residues pruned to eliminate duplicates Z: 8 23.626 2.239 1.020 0.704 1.000 1.000 CA 1.640 8 residues pruned to eliminate duplicates Z: 23 22.028 2.155 0.956 0.403 0.818 0.591 CB 1.508 23 residues pruned to eliminate duplicates Z: 9 5.421 1.544 -0.016 0.559 1.000 0.625 CB 1.192 8 residues pruned to eliminate duplicates Z: 52 40.243 2.242 0.732 0.478 0.902 0.549 CB 1.646 52 residues pruned to eliminate duplicates Z: 15 14.094 1.760 0.771 0.784 0.929 0.643 CB 1.014 15 residues pruned to eliminate duplicates Z: 15 26.983 2.087 1.207 0.485 0.929 0.714 CA 1.711 30 residues pruned to eliminate duplicates Z: 8 23.356 2.344 0.620 0.745 1.000 1.000 CA 1.867 8 residues pruned to eliminate duplicates Z: 15 19.906 1.799 0.812 0.847 1.000 0.714 CB 1.212 15 residues pruned to eliminate duplicates Z: 7 10.018 1.954 0.456 0.788 0.833 0.500 CB 1.340 7 residues pruned to eliminate duplicates Z: 20 27.580 2.049 0.824 0.579 1.000 0.789 CB 1.570 20 residues pruned to eliminate duplicates Z: 11 6.826 1.660 0.707 0.533 0.800 0.700 CB 0.922 6 residues pruned to eliminate duplicates Z: 7 6.100 1.895 0.320 0.508 0.833 0.833 CA 1.185 Z: 17 17.532 1.942 0.635 0.594 0.875 0.688 CA 1.442 17 residues pruned to eliminate duplicates Z: 22 31.612 2.206 0.885 0.476 1.000 0.714 CA 1.700 23 residues pruned to eliminate duplicates Z: 9 13.411 2.074 0.708 0.508 0.875 0.500 CB 1.517 9 residues pruned to eliminate duplicates Z: 16 28.783 2.197 0.606 0.947 1.000 0.933 CB 1.455 16 residues pruned to eliminate duplicates Z: 39 38.186 2.246 0.788 0.526 0.921 0.526 CB 1.631 39 residues pruned to eliminate duplicates Z: 82 53.579 2.255 0.674 0.539 0.963 0.642 CB 1.576 82 residues pruned to eliminate duplicates Z: 11 9.390 2.195 0.488 0.411 0.800 0.700 CB 1.247 11 residues pruned to eliminate duplicates Z: 9 14.735 2.154 0.137 0.863 1.000 1.000 CA 1.560 9 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 35 44.981 2.310 0.750 0.611 1.000 0.735 CB 1.718 35 residues pruned to eliminate duplicates Z: 49 49.740 2.296 0.937 0.554 0.938 0.667 CB 1.635 49 residues pruned to eliminate duplicates Z: 36 39.085 2.259 0.798 0.553 0.943 0.743 CB 1.638 36 residues pruned to eliminate duplicates Z: 94 68.659 2.317 0.818 0.563 0.925 0.677 CB 1.720 94 residues pruned to eliminate duplicates Z: 7 7.980 1.692 0.742 0.399 1.000 0.500 CA 1.229 7 residues pruned to eliminate duplicates Z: 47 49.143 2.244 0.870 0.550 0.957 0.739 CB 1.719 46 residues pruned to eliminate duplicates Z: 7 6.666 1.646 0.281 0.481 1.000 0.667 CA 1.315 7 residues pruned to eliminate duplicates Z: 34 47.020 2.306 0.794 0.618 1.000 0.818 CB 1.770 34 residues pruned to eliminate duplicates Z: 35 45.245 2.306 0.790 0.585 1.000 0.735 CB 1.732 35 residues pruned to eliminate duplicates Z: 36 41.463 2.278 0.891 0.549 0.943 0.686 CB 1.645 36 residues pruned to eliminate duplicates Z: 36 42.419 2.281 0.861 0.553 0.971 0.714 CB 1.652 36 residues pruned to eliminate duplicates Z: 95 70.498 2.294 0.886 0.551 0.947 0.702 CB 1.689 95 residues pruned to eliminate duplicates Z: 36 37.888 2.284 0.796 0.563 0.914 0.743 CB 1.606 36 residues pruned to eliminate duplicates Z: 36 38.647 2.283 0.868 0.520 0.914 0.771 CB 1.643 36 residues pruned to eliminate duplicates Z: 84 62.392 2.300 0.854 0.507 0.952 0.639 CB 1.676 84 residues pruned to eliminate duplicates Z: 35 40.126 2.267 0.884 0.543 0.912 0.676 CB 1.695 35 residues pruned to eliminate duplicates Z: 35 44.016 2.305 0.990 0.545 0.941 0.735 CB 1.673 35 residues pruned to eliminate duplicates Z: 25 34.706 2.323 0.921 0.547 0.958 0.625 CB 1.582 25 residues pruned to eliminate duplicates Z: 80 65.268 2.316 0.905 0.521 0.937 0.658 CB 1.739 81 residues pruned to eliminate duplicates Z: 15 33.605 2.146 1.050 0.856 0.929 0.857 CB 1.621 15 residues pruned to eliminate duplicates Z: 36 43.366 2.287 0.967 0.545 0.943 0.743 CB 1.654 36 residues pruned to eliminate duplicates Z: 13 48.195 2.321 1.410 0.855 1.000 0.917 CB 1.836 13 residues pruned to eliminate duplicates Z: 109 59.772 2.217 0.775 0.508 0.907 0.611 CB 1.598 109 residues pruned to eliminate duplicates Z: 95 67.155 2.277 0.872 0.549 0.926 0.649 CB 1.674 95 residues pruned to eliminate duplicates Z: 55 42.544 2.200 0.914 0.472 0.907 0.648 CB 1.558 55 residues pruned to eliminate duplicates Z: 46 53.840 2.329 1.014 0.547 0.956 0.778 CB 1.711 46 residues pruned to eliminate duplicates Z: 6 4.699 1.546 0.892 0.369 0.800 0.400 C 1.033 6 residues pruned to eliminate duplicates Z: 61 48.200 2.243 0.795 0.542 0.900 0.633 CA 1.648 61 residues pruned to eliminate duplicates Z: 66 49.128 2.247 0.773 0.511 0.908 0.646 CB 1.666 66 residues pruned to eliminate duplicates Z: 60 51.545 2.287 0.797 0.534 0.932 0.610 CB 1.695 60 residues pruned to eliminate duplicates Z: 96 61.116 2.269 0.786 0.527 0.905 0.600 CB 1.664 96 residues pruned to eliminate duplicates Z: 7 9.238 1.899 0.869 0.442 0.833 0.500 CA 1.353 7 residues pruned to eliminate duplicates Z: 81 57.799 2.276 0.792 0.502 0.925 0.550 CB 1.710 81 residues pruned to eliminate duplicates Z: 81 60.586 2.311 0.813 0.507 0.925 0.713 CB 1.735 81 residues pruned to eliminate duplicates Z: 82 65.437 2.305 0.874 0.516 0.975 0.741 CB 1.698 82 residues pruned to eliminate duplicates Z: 8 9.544 1.846 0.623 0.529 1.000 0.429 CB 1.171 8 residues pruned to eliminate duplicates Z: 61 48.378 2.242 0.801 0.533 0.917 0.600 CA 1.634 61 residues pruned to eliminate duplicates Z: 71 48.583 2.219 0.809 0.523 0.929 0.657 CB 1.523 71 residues pruned to eliminate duplicates Z: 59 55.791 2.302 0.864 0.571 0.948 0.655 CA 1.682 59 residues pruned to eliminate duplicates Z: 62 51.264 2.270 0.894 0.535 0.885 0.623 CA 1.666 62 residues pruned to eliminate duplicates Z: 68 43.168 2.215 0.695 0.472 0.896 0.612 CB 1.613 68 residues pruned to eliminate duplicates Z: 95 61.795 2.284 0.785 0.534 0.915 0.670 CB 1.653 95 residues pruned to eliminate duplicates Z: 64 48.836 2.242 0.747 0.505 0.952 0.556 CB 1.642 64 residues pruned to eliminate duplicates Z: 59 47.843 2.286 0.722 0.531 0.931 0.638 CA 1.663 59 residues pruned to eliminate duplicates Z: 57 45.147 2.273 0.786 0.514 0.875 0.679 CB 1.675 57 residues pruned to eliminate duplicates Z: 80 60.164 2.319 0.821 0.510 0.937 0.722 CB 1.694 80 residues pruned to eliminate duplicates Z: 59 46.743 2.245 0.851 0.500 0.931 0.603 CA 1.586 59 residues pruned to eliminate duplicates Z: 60 50.119 2.274 0.786 0.538 0.932 0.610 CB 1.661 60 residues pruned to eliminate duplicates Z: 46 34.852 2.175 0.679 0.558 0.867 0.644 CB 1.552 46 residues pruned to eliminate duplicates Z: 83 59.782 2.259 0.814 0.523 0.939 0.659 CB 1.677 83 residues pruned to eliminate duplicates Z: 59 47.604 2.281 0.774 0.530 0.897 0.586 CA 1.672 59 residues pruned to eliminate duplicates Z: 48 48.777 2.280 0.786 0.564 0.979 0.617 CA 1.677 48 residues pruned to eliminate duplicates Z: 82 60.313 2.302 0.828 0.508 0.926 0.691 CB 1.707 82 residues pruned to eliminate duplicates Z: 95 68.559 2.292 0.879 0.545 0.947 0.649 CB 1.660 95 residues pruned to eliminate duplicates Z: 16 34.570 2.275 0.835 0.906 1.000 0.867 CA 1.521 16 residues pruned to eliminate duplicates Z: 94 66.462 2.296 0.851 0.547 0.903 0.645 CB 1.714 94 residues pruned to eliminate duplicates Z: 61 54.271 2.257 0.919 0.554 0.933 0.617 CB 1.645 61 residues pruned to eliminate duplicates Z: 95 71.226 2.305 0.935 0.539 0.947 0.638 CB 1.674 95 residues pruned to eliminate duplicates Z: 81 65.040 2.301 0.888 0.513 0.963 0.688 CB 1.717 81 residues pruned to eliminate duplicates Z: 48 40.591 2.214 0.795 0.546 0.915 0.553 CB 1.556 48 residues pruned to eliminate duplicates Z: 22 32.557 2.275 0.852 0.561 0.952 0.619 CA 1.669 22 residues pruned to eliminate duplicates Z: 94 68.235 2.300 0.886 0.534 0.935 0.624 CB 1.687 94 residues pruned to eliminate duplicates Z: 7 7.192 2.060 0.253 0.389 0.833 0.333 CA 1.536 7 residues pruned to eliminate duplicates Z: 61 53.500 2.258 0.946 0.541 0.917 0.583 CB 1.648 61 residues pruned to eliminate duplicates Z: 95 73.853 2.304 0.944 0.550 0.957 0.638 CB 1.691 95 residues pruned to eliminate duplicates Z: 6 5.811 1.943 0.397 0.316 0.800 0.400 CA 1.466 6 residues pruned to eliminate duplicates Z: 50 45.502 2.248 0.888 0.568 0.898 0.571 CB 1.597 50 residues pruned to eliminate duplicates Z: 50 48.823 2.283 0.821 0.575 0.959 0.592 CB 1.628 50 residues pruned to eliminate duplicates Z: 36 45.893 2.270 0.947 0.626 0.943 0.657 CA 1.653 36 residues pruned to eliminate duplicates Z: 37 39.342 2.253 0.772 0.603 0.944 0.694 CA 1.577 37 residues pruned to eliminate duplicates Z: 65 49.935 2.271 0.878 0.504 0.906 0.656 CB 1.609 65 residues pruned to eliminate duplicates Z: 95 68.274 2.291 0.919 0.540 0.936 0.649 CB 1.645 95 residues pruned to eliminate duplicates Z: 42 45.707 2.258 0.851 0.599 0.951 0.707 CA 1.634 42 residues pruned to eliminate duplicates Z: 95 69.802 2.282 0.869 0.536 0.968 0.606 CB 1.683 95 residues pruned to eliminate duplicates Z: 66 47.119 2.217 0.838 0.497 0.908 0.631 CB 1.585 66 residues pruned to eliminate duplicates Z: 44 42.479 2.231 0.832 0.582 0.930 0.744 CA 1.575 44 residues pruned to eliminate duplicates Z: 64 55.658 2.282 0.909 0.523 0.952 0.730 CB 1.652 64 residues pruned to eliminate duplicates Z: 50 38.311 2.124 0.782 0.560 0.918 0.673 CB 1.485 50 residues pruned to eliminate duplicates Z: 53 39.027 2.139 0.762 0.563 0.885 0.558 CB 1.527 53 residues pruned to eliminate duplicates Z: 72 47.068 2.189 0.821 0.491 0.915 0.606 CB 1.545 72 residues pruned to eliminate duplicates Z: 74 56.996 2.221 0.876 0.525 0.945 0.630 CB 1.653 74 residues pruned to eliminate duplicates Z: 115 75.111 2.280 0.913 0.527 0.956 0.614 CB 1.642 115 residues pruned to eliminate duplicates Z: 118 68.724 2.237 0.891 0.493 0.949 0.632 CB 1.594 118 residues pruned to eliminate duplicates Z: 67 34.412 2.061 0.819 0.421 0.924 0.500 CB 1.327 67 residues pruned to eliminate duplicates Z: 20 21.995 2.142 0.844 0.481 0.895 0.632 CB 1.456 20 residues pruned to eliminate duplicates Z: 11 21.138 2.190 1.065 0.580 0.900 0.800 CA 1.521 11 residues pruned to eliminate duplicates Z: 78 54.771 2.249 0.929 0.503 0.922 0.584 CB 1.555 78 residues pruned to eliminate duplicates Z: 27 26.090 2.144 0.936 0.447 0.885 0.654 CB 1.471 27 residues pruned to eliminate duplicates Z: 26 23.141 2.050 1.145 0.438 0.840 0.680 CB 1.336 26 residues pruned to eliminate duplicates Z: 75 44.464 2.156 0.770 0.495 0.919 0.527 CB 1.482 75 residues pruned to eliminate duplicates Z: 23 27.953 2.221 0.949 0.473 0.955 0.727 CB 1.483 23 residues pruned to eliminate duplicates Z: 25 28.790 2.133 1.103 0.450 0.917 0.625 CB 1.505 25 residues pruned to eliminate duplicates Z: 85 57.299 2.211 0.924 0.518 0.929 0.690 CB 1.555 85 residues pruned to eliminate duplicates Z: 15 14.842 1.986 0.838 0.359 0.929 0.643 CB 1.363 15 residues pruned to eliminate duplicates Z: 17 16.812 2.005 0.949 0.380 0.812 0.562 CB 1.504 17 residues pruned to eliminate duplicates Z: 54 35.144 2.097 0.860 0.463 0.906 0.585 CB 1.419 54 residues pruned to eliminate duplicates Z: 25 24.127 2.123 0.982 0.463 0.875 0.583 CB 1.388 25 residues pruned to eliminate duplicates Z: 15 14.794 2.002 0.916 0.433 0.929 0.714 CB 1.190 15 residues pruned to eliminate duplicates Z: 26 25.941 2.136 1.130 0.429 0.880 0.600 CB 1.394 26 residues pruned to eliminate duplicates Z: 84 56.718 2.217 1.023 0.519 0.880 0.639 CB 1.549 84 residues pruned to eliminate duplicates Z: 19 15.233 2.167 0.697 0.397 0.833 0.611 CB 1.306 19 residues pruned to eliminate duplicates Z: 19 15.159 2.099 0.592 0.349 0.944 0.389 CB 1.334 19 residues pruned to eliminate duplicates Z: 31 24.788 2.106 0.830 0.406 0.933 0.533 CB 1.389 31 residues pruned to eliminate duplicates Z: 32 18.594 2.009 0.769 0.352 0.839 0.452 CB 1.315 32 residues pruned to eliminate duplicates Z: 8 15.983 2.103 1.092 0.533 0.857 0.571 CA 1.551 8 residues pruned to eliminate duplicates Z: 20 14.091 2.023 0.745 0.319 0.789 0.368 CB 1.416 20 residues pruned to eliminate duplicates Z: 7 19.641 2.291 0.978 0.591 1.000 0.500 CB 1.622 7 residues pruned to eliminate duplicates Z: 16 13.061 1.979 0.616 0.435 0.933 0.600 CB 1.208 16 residues pruned to eliminate duplicates Z: 16 14.361 2.003 0.574 0.467 0.933 0.600 CB 1.303 16 residues pruned to eliminate duplicates Z: 24 20.156 2.021 0.716 0.484 0.870 0.609 CB 1.416 24 residues pruned to eliminate duplicates Z: 10 8.075 1.928 0.161 0.343 0.889 0.556 N 1.604 10 residues pruned to eliminate duplicates Z: 14 14.626 2.053 0.583 0.466 0.846 0.538 CB 1.526 14 residues pruned to eliminate duplicates Z: 44 33.205 2.147 0.908 0.490 0.907 0.581 CB 1.376 44 residues pruned to eliminate duplicates Z: 15 16.127 2.094 0.496 0.541 1.000 0.643 CB 1.321 15 residues pruned to eliminate duplicates Z: 14 23.735 2.170 0.857 0.594 1.000 0.538 CB 1.493 15 residues pruned to eliminate duplicates Z: 6 4.464 1.571 1.113 0.293 0.600 0.600 C 1.264 6 residues pruned to eliminate duplicates Z: 14 20.721 2.184 0.847 0.567 0.923 0.615 CB 1.447 14 residues pruned to eliminate duplicates Z: 15 19.919 2.084 0.738 0.544 0.929 0.571 CB 1.516 15 residues pruned to eliminate duplicates Z: 10 24.939 2.197 0.904 0.733 1.000 0.889 CB 1.612 10 residues pruned to eliminate duplicates Z: 15 16.379 2.102 0.631 0.527 0.857 0.714 CB 1.450 15 residues pruned to eliminate duplicates Z: 22 23.329 2.145 0.831 0.491 0.857 0.571 CB 1.526 22 residues pruned to eliminate duplicates Z: 17 14.796 2.018 0.726 0.479 0.812 0.562 CB 1.335 17 residues pruned to eliminate duplicates Z: 47 39.758 2.262 0.664 0.510 0.935 0.674 CB 1.649 47 residues pruned to eliminate duplicates Z: 20 22.764 2.184 0.766 0.426 0.895 0.526 CB 1.635 20 residues pruned to eliminate duplicates Z: 61 51.478 2.273 0.790 0.556 0.933 0.683 CB 1.657 61 residues pruned to eliminate duplicates Z: 48 33.923 2.259 0.502 0.489 0.915 0.638 CB 1.611 48 residues pruned to eliminate duplicates Z: 13 24.759 2.270 0.854 0.456 1.000 0.667 CA 1.777 13 residues pruned to eliminate duplicates Z: 46 39.440 2.264 0.673 0.513 0.933 0.667 CB 1.641 46 residues pruned to eliminate duplicates Z: 60 45.203 2.295 0.684 0.551 0.881 0.678 CB 1.644 60 residues pruned to eliminate duplicates Z: 77 49.865 2.253 0.688 0.539 0.934 0.645 CB 1.550 77 residues pruned to eliminate duplicates Z: 60 50.645 2.313 0.697 0.543 0.932 0.712 CB 1.729 60 residues pruned to eliminate duplicates Z: 61 51.138 2.269 0.776 0.558 0.917 0.683 CB 1.690 61 residues pruned to eliminate duplicates Z: 23 24.070 2.143 0.728 0.410 0.955 0.545 CB 1.595 23 residues pruned to eliminate duplicates Z: 57 44.500 2.316 0.657 0.530 0.893 0.679 CB 1.685 57 residues pruned to eliminate duplicates Z: 60 46.555 2.293 0.632 0.553 0.932 0.593 CB 1.649 60 residues pruned to eliminate duplicates Z: 34 35.971 2.220 0.723 0.588 0.939 0.636 CB 1.602 34 residues pruned to eliminate duplicates Z: 60 48.246 2.319 0.698 0.555 0.915 0.746 CB 1.653 60 residues pruned to eliminate duplicates Z: 61 46.583 2.290 0.706 0.526 0.900 0.650 CB 1.667 61 residues pruned to eliminate duplicates Z: 48 42.468 2.248 0.754 0.522 0.936 0.617 CB 1.641 48 residues pruned to eliminate duplicates Z: 84 47.698 2.210 0.664 0.509 0.940 0.651 CB 1.502 84 residues pruned to eliminate duplicates Z: 61 49.284 2.296 0.738 0.543 0.933 0.633 CB 1.638 61 residues pruned to eliminate duplicates Z: 27 29.906 2.288 0.569 0.561 0.962 0.769 CB 1.601 27 residues pruned to eliminate duplicates Z: 48 36.016 2.219 0.634 0.541 0.872 0.596 CB 1.595 48 residues pruned to eliminate duplicates Z: 61 48.689 2.297 0.719 0.555 0.900 0.617 CB 1.676 61 residues pruned to eliminate duplicates Z: 49 35.609 2.187 0.683 0.505 0.917 0.604 CB 1.516 49 residues pruned to eliminate duplicates Z: 61 50.766 2.299 0.729 0.559 0.933 0.733 CB 1.668 61 residues pruned to eliminate duplicates Z: 69 45.797 2.261 0.639 0.557 0.926 0.691 CB 1.531 69 residues pruned to eliminate duplicates Z: 46 39.054 2.284 0.688 0.516 0.933 0.667 CB 1.592 46 residues pruned to eliminate duplicates Z: 48 39.434 2.260 0.669 0.526 0.894 0.660 CB 1.663 48 residues pruned to eliminate duplicates Z: 60 47.995 2.311 0.736 0.541 0.898 0.644 CB 1.666 60 residues pruned to eliminate duplicates Z: 65 38.286 2.155 0.669 0.467 0.891 0.625 CB 1.545 65 residues pruned to eliminate duplicates Z: 61 47.804 2.283 0.778 0.547 0.883 0.650 CB 1.644 61 residues pruned to eliminate duplicates Z: 61 51.800 2.295 0.784 0.563 0.917 0.650 CB 1.676 61 residues pruned to eliminate duplicates Z: 62 48.738 2.305 0.780 0.541 0.885 0.623 CB 1.649 62 residues pruned to eliminate duplicates Z: 47 37.526 2.281 0.680 0.540 0.891 0.630 CB 1.559 47 residues pruned to eliminate duplicates Z: 61 49.423 2.324 0.772 0.552 0.883 0.717 CB 1.668 61 residues pruned to eliminate duplicates Z: 42 41.147 2.325 0.719 0.592 0.902 0.683 CB 1.632 42 residues pruned to eliminate duplicates Z: 64 48.538 2.226 0.754 0.535 0.937 0.635 CB 1.615 64 residues pruned to eliminate duplicates Z: 47 42.537 2.277 0.778 0.597 0.913 0.630 CB 1.546 47 residues pruned to eliminate duplicates Z: 61 46.097 2.240 0.804 0.519 0.900 0.617 CB 1.605 61 residues pruned to eliminate duplicates Z: 61 47.119 2.284 0.682 0.546 0.933 0.583 CB 1.623 61 residues pruned to eliminate duplicates Z: 50 43.152 2.239 0.799 0.546 0.939 0.571 CB 1.560 50 residues pruned to eliminate duplicates Z: 61 49.625 2.291 0.808 0.559 0.900 0.617 CB 1.623 61 residues pruned to eliminate duplicates Z: 60 54.106 2.322 0.827 0.546 0.966 0.542 CB 1.642 60 residues pruned to eliminate duplicates Z: 48 40.333 2.223 0.793 0.507 0.936 0.489 CB 1.565 48 residues pruned to eliminate duplicates Z: 42 47.531 2.317 0.882 0.604 0.951 0.683 CB 1.621 42 residues pruned to eliminate duplicates Z: 61 54.215 2.294 0.800 0.554 0.967 0.617 CB 1.664 61 residues pruned to eliminate duplicates Z: 44 40.966 2.276 0.769 0.598 0.884 0.698 CB 1.600 44 residues pruned to eliminate duplicates Z: 18 24.939 2.269 0.847 0.611 0.765 0.588 CB 1.699 18 residues pruned to eliminate duplicates Z: 60 45.444 2.271 0.837 0.533 0.864 0.627 CB 1.588 60 residues pruned to eliminate duplicates Z: 60 55.853 2.330 0.852 0.582 0.932 0.678 CB 1.670 60 residues pruned to eliminate duplicates Z: 77 53.317 2.248 0.864 0.565 0.882 0.671 CB 1.554 77 residues pruned to eliminate duplicates Z: 61 50.222 2.292 0.776 0.559 0.917 0.667 CB 1.641 61 residues pruned to eliminate duplicates Z: 60 47.672 2.250 0.877 0.525 0.932 0.593 CB 1.538 60 residues pruned to eliminate duplicates Z: 61 51.176 2.296 0.783 0.560 0.933 0.700 CB 1.632 61 residues pruned to eliminate duplicates Z: 61 53.062 2.333 0.796 0.561 0.933 0.683 CB 1.651 61 residues pruned to eliminate duplicates Z: 61 55.629 2.307 0.861 0.552 0.950 0.650 CB 1.673 61 residues pruned to eliminate duplicates Z: 49 36.987 2.235 0.776 0.547 0.833 0.521 CB 1.543 49 residues pruned to eliminate duplicates Z: 59 53.873 2.326 0.838 0.561 0.931 0.655 CB 1.675 59 residues pruned to eliminate duplicates Z: 77 56.155 2.286 0.831 0.543 0.934 0.645 CB 1.580 77 residues pruned to eliminate duplicates Z: 88 55.224 2.270 0.872 0.510 0.897 0.644 CB 1.538 88 residues pruned to eliminate duplicates Z: 45 35.510 2.267 0.794 0.515 0.886 0.591 CB 1.462 45 residues pruned to eliminate duplicates Z: 58 47.443 2.310 0.766 0.571 0.912 0.649 CB 1.577 58 residues pruned to eliminate duplicates Z: 89 44.713 2.217 0.774 0.453 0.875 0.625 CB 1.453 89 residues pruned to eliminate duplicates Z: 18 19.186 2.196 0.795 0.488 0.882 0.706 CB 1.354 18 residues pruned to eliminate duplicates Z: 86 55.308 2.247 0.844 0.514 0.941 0.741 CB 1.517 86 residues pruned to eliminate duplicates Z: 10 23.128 2.309 1.056 0.624 0.889 0.889 CA 1.626 10 residues pruned to eliminate duplicates Z: 76 57.420 2.306 0.858 0.554 0.947 0.640 CB 1.552 76 residues pruned to eliminate duplicates Z: 38 36.983 2.183 0.923 0.568 0.919 0.703 CB 1.476 38 residues pruned to eliminate duplicates Z: 84 46.208 2.218 0.775 0.465 0.880 0.590 CB 1.517 84 residues pruned to eliminate duplicates Z: 76 60.690 2.319 0.893 0.552 0.947 0.680 CB 1.603 76 residues pruned to eliminate duplicates Z: 25 21.165 2.082 0.839 0.472 0.917 0.750 CB 1.267 25 residues pruned to eliminate duplicates Z: 18 23.350 2.191 0.818 0.484 1.000 0.706 CB 1.445 18 residues pruned to eliminate duplicates Z: 28 21.840 2.184 0.765 0.456 0.889 0.630 CB 1.283 28 residues pruned to eliminate duplicates Z: 22 20.458 2.183 0.764 0.433 0.905 0.667 CB 1.374 22 residues pruned to eliminate duplicates Z: 25 23.746 2.195 0.740 0.507 0.917 0.750 CB 1.375 25 residues pruned to eliminate duplicates Z: 24 26.039 2.175 0.824 0.501 0.913 0.696 CB 1.497 24 residues pruned to eliminate duplicates Z: 89 52.907 2.229 0.853 0.502 0.920 0.682 CB 1.481 89 residues pruned to eliminate duplicates Z: 31 22.649 2.105 0.745 0.431 0.933 0.633 CB 1.297 29 residues pruned to eliminate duplicates Z: 6 4.003 1.435 0.572 0.337 1.000 1.000 N 0.949 6 residues pruned to eliminate duplicates Z: 28 27.605 2.187 0.867 0.461 0.926 0.630 CB 1.462 30 residues pruned to eliminate duplicates Z: 7 6.836 1.560 0.768 0.470 1.000 0.833 CA 1.042 7 residues pruned to eliminate duplicates Z: 19 12.292 2.055 0.532 0.354 0.944 0.500 CB 1.141 19 residues pruned to eliminate duplicates Z: 6 6.481 1.843 0.457 0.429 1.000 0.400 CB 1.161 6 residues pruned to eliminate duplicates Z: 93 52.036 2.247 0.758 0.496 0.902 0.630 CB 1.528 93 residues pruned to eliminate duplicates Z: 14 9.455 1.937 0.528 0.342 0.692 0.385 CB 1.520 17 residues pruned to eliminate duplicates Z: 7 3.682 1.417 0.599 0.317 0.833 0.667 CA 0.975 Z: 6 6.005 1.647 0.594 0.417 0.800 0.600 CA 1.395 6 residues pruned to eliminate duplicates Z: 32 30.576 2.018 0.711 0.605 1.000 0.742 CB 1.440 32 residues pruned to eliminate duplicates Z: 32 31.013 2.025 0.754 0.629 0.968 0.871 CB 1.436 32 residues pruned to eliminate duplicates Z: 32 29.612 2.020 0.706 0.608 0.968 0.774 CB 1.439 32 residues pruned to eliminate duplicates Z: 6 4.466 1.649 0.479 0.255 1.000 0.800 CA 1.085 6 residues pruned to eliminate duplicates Z: 30 32.262 2.087 0.614 0.669 1.000 0.759 CB 1.521 30 residues pruned to eliminate duplicates Z: 32 31.077 2.018 0.777 0.609 1.000 0.710 CB 1.404 32 residues pruned to eliminate duplicates Z: 31 29.752 2.031 0.845 0.609 0.933 0.733 CB 1.400 31 residues pruned to eliminate duplicates Z: 32 29.241 2.011 0.844 0.574 0.935 0.581 CB 1.410 32 residues pruned to eliminate duplicates Z: 32 29.818 2.002 0.884 0.596 0.935 0.806 CB 1.384 32 residues pruned to eliminate duplicates Z: 31 31.936 2.052 0.790 0.618 0.967 0.700 CB 1.469 31 residues pruned to eliminate duplicates Z: 31 33.383 2.057 0.881 0.628 0.967 0.767 CB 1.444 31 residues pruned to eliminate duplicates Z: 13 18.437 1.856 0.824 0.864 1.000 0.833 CB 1.153 13 residues pruned to eliminate duplicates Z: 33 26.124 1.950 0.834 0.549 0.938 0.688 CB 1.313 33 residues pruned to eliminate duplicates Z: 32 30.762 2.016 0.854 0.599 0.968 0.677 CB 1.390 32 residues pruned to eliminate duplicates Z: 34 29.950 1.961 0.880 0.586 0.970 0.606 CB 1.342 34 residues pruned to eliminate duplicates Z: 14 22.375 1.903 0.840 0.874 1.000 0.769 CB 1.290 14 residues pruned to eliminate duplicates Z: 32 33.865 2.010 0.958 0.594 1.000 0.677 CB 1.413 32 residues pruned to eliminate duplicates Z: 32 32.218 2.022 0.885 0.590 0.968 0.677 CB 1.439 32 residues pruned to eliminate duplicates Z: 32 31.151 2.015 0.861 0.593 0.968 0.613 CB 1.411 32 residues pruned to eliminate duplicates Z: 14 17.057 1.848 0.779 0.862 0.923 0.462 CB 1.144 14 residues pruned to eliminate duplicates Z: 93 57.277 2.262 0.680 0.555 0.946 0.674 CB 1.576 99 residues pruned to eliminate duplicates Z: 6 6.401 1.682 0.847 0.266 0.800 0.400 C 1.504 Z: 6 5.121 1.676 0.645 0.412 0.800 0.600 CA 1.138 Z: 6 5.890 1.664 0.456 0.418 1.000 0.800 N 1.185 Z: 6 3.221 1.621 0.269 0.225 0.800 0.400 CA 1.207 Z: 16 21.549 1.956 0.757 0.728 1.000 0.733 CB 1.318 16 residues pruned to eliminate duplicates Z: 30 32.134 2.106 0.838 0.667 0.966 0.793 CB 1.369 30 residues pruned to eliminate duplicates Z: 45 36.550 2.153 0.899 0.533 0.864 0.727 CB 1.511 45 residues pruned to eliminate duplicates Z: 93 59.705 2.272 0.770 0.552 0.935 0.674 CB 1.574 118 residues pruned to eliminate duplicates Z: 14 20.801 1.932 0.792 0.853 1.000 0.769 CB 1.232 14 residues pruned to eliminate duplicates Z: 94 54.234 2.245 0.616 0.543 0.946 0.645 CB 1.571 94 residues pruned to eliminate duplicates Z: 95 54.946 2.225 0.674 0.534 0.926 0.660 CB 1.591 95 residues pruned to eliminate duplicates Z: 32 34.718 2.173 1.017 0.542 0.871 0.710 CB 1.568 32 residues pruned to eliminate duplicates Z: 94 56.122 2.231 0.705 0.538 0.946 0.667 CB 1.557 94 residues pruned to eliminate duplicates Z: 95 57.579 2.255 0.695 0.538 0.957 0.660 CB 1.563 95 residues pruned to eliminate duplicates Z: 50 37.415 2.142 0.810 0.535 0.939 0.714 CB 1.419 50 residues pruned to eliminate duplicates Z: 52 41.686 2.191 0.930 0.509 0.941 0.549 CB 1.454 52 residues pruned to eliminate duplicates Z: 14 20.723 1.950 0.733 0.850 1.000 0.692 CA 1.260 14 residues pruned to eliminate duplicates Z: 35 27.308 2.070 0.729 0.568 0.941 0.735 CB 1.302 35 residues pruned to eliminate duplicates Z: 107 60.192 2.250 0.784 0.534 0.915 0.623 CB 1.539 107 residues pruned to eliminate duplicates Z: 94 53.115 2.229 0.649 0.533 0.946 0.667 CB 1.532 94 residues pruned to eliminate duplicates Z: 94 53.748 2.225 0.691 0.547 0.914 0.624 CB 1.547 94 residues pruned to eliminate duplicates Z: 22 20.706 2.009 1.100 0.326 0.905 0.524 CB 1.432 22 residues pruned to eliminate duplicates Z: 65 45.515 2.281 0.695 0.512 0.891 0.656 CB 1.633 65 residues pruned to eliminate duplicates Z: 61 43.805 2.299 0.607 0.508 0.917 0.567 CB 1.657 61 residues pruned to eliminate duplicates Z: 65 47.528 2.281 0.681 0.501 0.938 0.562 CB 1.651 65 residues pruned to eliminate duplicates Z: 61 43.665 2.313 0.631 0.524 0.883 0.633 CB 1.652 61 residues pruned to eliminate duplicates Z: 44 37.830 2.145 0.940 0.531 0.907 0.698 CB 1.482 44 residues pruned to eliminate duplicates Z: 63 48.552 2.317 0.674 0.515 0.952 0.645 CB 1.646 63 residues pruned to eliminate duplicates Z: 70 53.538 2.297 0.784 0.515 0.942 0.594 CB 1.644 70 residues pruned to eliminate duplicates Z: 65 46.962 2.300 0.635 0.500 0.922 0.641 CB 1.692 65 residues pruned to eliminate duplicates Z: 93 48.796 2.234 0.721 0.462 0.870 0.609 CB 1.583 93 residues pruned to eliminate duplicates Z: 120 58.681 2.203 0.777 0.517 0.908 0.613 CB 1.489 120 residues pruned to eliminate duplicates Z: 64 50.851 2.321 0.763 0.504 0.952 0.635 CB 1.638 64 residues pruned to eliminate duplicates Z: 66 44.550 2.272 0.689 0.462 0.923 0.569 CB 1.621 66 residues pruned to eliminate duplicates Z: 49 39.012 2.294 0.629 0.456 0.938 0.646 CB 1.680 49 residues pruned to eliminate duplicates Z: 64 51.329 2.326 0.721 0.518 0.952 0.651 CB 1.666 64 residues pruned to eliminate duplicates Z: 93 55.352 2.264 0.698 0.542 0.924 0.663 CB 1.560 93 residues pruned to eliminate duplicates Z: 94 55.919 2.244 0.633 0.547 0.968 0.688 CB 1.562 94 residues pruned to eliminate duplicates Z: 49 42.354 2.308 0.686 0.526 0.938 0.625 CB 1.633 49 residues pruned to eliminate duplicates Z: 27 25.263 2.079 0.820 0.374 0.885 0.538 CB 1.693 27 residues pruned to eliminate duplicates Z: 31 30.926 2.253 0.533 0.525 0.967 0.700 CB 1.651 31 residues pruned to eliminate duplicates Z: 93 56.773 2.250 0.797 0.549 0.902 0.685 CB 1.547 93 residues pruned to eliminate duplicates Z: 65 45.965 2.278 0.708 0.515 0.906 0.609 CB 1.606 65 residues pruned to eliminate duplicates Z: 64 45.747 2.320 0.631 0.515 0.905 0.603 CB 1.659 64 residues pruned to eliminate duplicates Z: 65 47.295 2.308 0.721 0.511 0.891 0.641 CB 1.653 65 residues pruned to eliminate duplicates Z: 61 48.828 2.330 0.732 0.551 0.883 0.667 CB 1.682 61 residues pruned to eliminate duplicates Z: 61 49.309 2.340 0.674 0.549 0.917 0.717 CB 1.691 61 residues pruned to eliminate duplicates Z: 61 51.399 2.332 0.745 0.537 0.950 0.633 CB 1.655 61 residues pruned to eliminate duplicates Z: 65 47.373 2.303 0.690 0.504 0.922 0.656 CB 1.643 65 residues pruned to eliminate duplicates Z: 64 49.162 2.336 0.718 0.513 0.921 0.667 CB 1.654 64 residues pruned to eliminate duplicates Z: 70 51.895 2.299 0.774 0.544 0.928 0.652 CB 1.582 70 residues pruned to eliminate duplicates Z: 65 50.405 2.303 0.803 0.505 0.922 0.641 CB 1.637 65 residues pruned to eliminate duplicates Z: 65 48.593 2.271 0.778 0.510 0.922 0.578 CB 1.616 65 residues pruned to eliminate duplicates Z: 93 51.088 2.241 0.662 0.518 0.891 0.630 CB 1.576 93 residues pruned to eliminate duplicates Z: 95 56.480 2.255 0.742 0.546 0.926 0.649 CB 1.533 95 residues pruned to eliminate duplicates Z: 64 50.237 2.321 0.707 0.524 0.937 0.619 CB 1.666 64 residues pruned to eliminate duplicates Z: 59 56.216 2.365 0.775 0.559 0.983 0.621 CB 1.690 59 residues pruned to eliminate duplicates Z: 48 37.665 2.288 0.558 0.522 0.936 0.511 CB 1.611 48 residues pruned to eliminate duplicates Z: 94 57.116 2.246 0.736 0.545 0.935 0.667 CB 1.554 94 residues pruned to eliminate duplicates Z: 35 29.167 2.255 0.555 0.480 0.912 0.500 CB 1.596 35 residues pruned to eliminate duplicates Z: 64 46.866 2.308 0.752 0.524 0.889 0.603 CB 1.603 64 residues pruned to eliminate duplicates Z: 65 43.959 2.260 0.643 0.481 0.953 0.578 CB 1.582 65 residues pruned to eliminate duplicates Z: 43 39.829 2.330 0.643 0.587 0.929 0.667 CB 1.591 43 residues pruned to eliminate duplicates Z: 48 39.138 2.289 0.649 0.543 0.894 0.596 CB 1.623 48 residues pruned to eliminate duplicates Z: 49 39.455 2.289 0.735 0.549 0.875 0.625 CB 1.562 49 residues pruned to eliminate duplicates Z: 43 42.653 2.329 0.750 0.595 0.952 0.714 CB 1.549 43 residues pruned to eliminate duplicates Z: 42 43.270 2.349 0.647 0.602 0.951 0.683 CB 1.666 42 residues pruned to eliminate duplicates Z: 60 49.794 2.333 0.757 0.549 0.915 0.661 CB 1.648 60 residues pruned to eliminate duplicates Z: 50 41.944 2.293 0.776 0.561 0.898 0.490 CB 1.544 50 residues pruned to eliminate duplicates Z: 50 39.846 2.266 0.697 0.530 0.898 0.653 CB 1.599 50 residues pruned to eliminate duplicates Z: 90 54.971 2.259 0.693 0.523 0.933 0.685 CB 1.597 90 residues pruned to eliminate duplicates Z: 43 43.345 2.313 0.676 0.587 0.952 0.643 CB 1.667 43 residues pruned to eliminate duplicates Z: 48 46.060 2.313 0.788 0.554 0.936 0.660 CB 1.646 48 residues pruned to eliminate duplicates Z: 47 37.195 2.241 0.670 0.550 0.913 0.696 CB 1.528 47 residues pruned to eliminate duplicates Z: 50 45.642 2.284 0.780 0.538 0.939 0.592 CB 1.645 50 residues pruned to eliminate duplicates Z: 61 42.107 2.289 0.667 0.510 0.883 0.533 CB 1.596 61 residues pruned to eliminate duplicates Z: 93 60.042 2.272 0.806 0.553 0.935 0.685 CB 1.551 93 residues pruned to eliminate duplicates Z: 63 48.827 2.308 0.772 0.515 0.935 0.597 CB 1.597 63 residues pruned to eliminate duplicates Z: 24 28.373 2.241 0.833 0.528 0.913 0.739 CB 1.534 24 residues pruned to eliminate duplicates Z: 64 52.774 2.323 0.859 0.525 0.921 0.730 CB 1.632 64 residues pruned to eliminate duplicates Z: 64 51.154 2.302 0.783 0.560 0.937 0.698 CB 1.583 64 residues pruned to eliminate duplicates Z: 92 56.907 2.280 0.769 0.510 0.912 0.648 CB 1.605 92 residues pruned to eliminate duplicates Z: 101 58.070 2.212 0.809 0.545 0.910 0.670 CB 1.525 101 residues pruned to eliminate duplicates Z: 30 23.761 2.142 0.854 0.454 0.862 0.655 CB 1.351 30 residues pruned to eliminate duplicates Z: 31 18.520 1.993 0.790 0.356 0.867 0.567 CB 1.277 31 residues pruned to eliminate duplicates Z: 30 24.528 2.108 0.827 0.449 0.897 0.655 CB 1.390 30 residues pruned to eliminate duplicates Z: 26 20.688 2.149 0.637 0.431 0.880 0.560 CB 1.436 26 residues pruned to eliminate duplicates Z: 11 17.613 2.095 0.978 0.561 0.900 0.700 CA 1.407 11 residues pruned to eliminate duplicates Z: 29 22.846 2.130 0.791 0.481 0.821 0.607 CB 1.404 29 residues pruned to eliminate duplicates Z: 28 23.135 2.101 0.870 0.444 0.889 0.630 CB 1.351 28 residues pruned to eliminate duplicates Z: 53 41.010 2.202 0.947 0.486 0.904 0.635 CB 1.488 53 residues pruned to eliminate duplicates Z: 31 25.722 2.095 0.924 0.454 0.900 0.667 CB 1.357 31 residues pruned to eliminate duplicates Z: 25 25.643 2.141 0.906 0.498 0.917 0.708 CB 1.402 25 residues pruned to eliminate duplicates Z: 13 7.137 1.995 0.336 0.342 0.917 0.500 CB 1.001 13 residues pruned to eliminate duplicates Z: 20 15.782 2.064 0.679 0.405 0.842 0.526 CB 1.370 20 residues pruned to eliminate duplicates Z: 18 16.689 2.207 0.681 0.402 0.882 0.529 CB 1.370 18 residues pruned to eliminate duplicates Z: 31 26.092 2.128 0.905 0.460 0.867 0.633 CB 1.412 31 residues pruned to eliminate duplicates Z: 19 11.847 1.921 0.756 0.367 0.778 0.556 CB 1.228 19 residues pruned to eliminate duplicates Z: 45 26.012 2.111 0.665 0.435 0.841 0.591 CB 1.419 45 residues pruned to eliminate duplicates Z: 20 14.501 2.081 0.727 0.386 0.842 0.474 CB 1.240 20 residues pruned to eliminate duplicates Z: 20 15.963 2.105 0.779 0.412 0.842 0.526 CB 1.273 20 residues pruned to eliminate duplicates Z: 133 58.375 2.200 0.659 0.530 0.924 0.652 CB 1.463 133 residues pruned to eliminate duplicates Z: 7 5.335 1.614 0.900 0.347 0.833 0.667 N 1.006 Z: 6 5.604 1.746 0.470 0.314 1.000 0.400 N 1.200 6 residues pruned to eliminate duplicates Z: 18 11.850 1.804 0.539 0.431 0.882 0.588 CB 1.260 23 residues pruned to eliminate duplicates 391 residues left after pruning, divided into chains as follows: A: 12 B: 120 C: 11 D: 119 E: 50 F: 79 CC for partial structure against native data = 41.84 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.452, Connect. = 0.738 for dens.mod. cycle 1 = 0.300, Contrast = 0.517, Connect. = 0.762 for dens.mod. cycle 2 = 0.300, Contrast = 0.621, Connect. = 0.789 for dens.mod. cycle 3 = 0.300, Contrast = 0.631, Connect. = 0.792 for dens.mod. cycle 4 = 0.300, Contrast = 0.644, Connect. = 0.794 for dens.mod. cycle 5 = 0.300, Contrast = 0.650, Connect. = 0.795 for dens.mod. cycle 6 = 0.300, Contrast = 0.658, Connect. = 0.797 for dens.mod. cycle 7 = 0.300, Contrast = 0.662, Connect. = 0.798 for dens.mod. cycle 8 = 0.300, Contrast = 0.666, Connect. = 0.799 for dens.mod. cycle 9 = 0.300, Contrast = 0.669, Connect. = 0.799 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2451 peaks > 0.5 sigma used to seed fragment search Space for about 500 unique residues taking solvent into account 533 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 11 34.762 2.477 0.670 0.914 1.000 0.900 CB 1.878 B: 13 25.002 2.203 0.521 0.913 1.000 0.917 CA 1.524 13 residues pruned to eliminate duplicates C: 11 31.797 2.540 0.615 0.909 0.900 0.700 CB 1.933 11 residues pruned to eliminate duplicates D: 13 27.224 2.095 0.799 0.865 0.917 0.833 CA 1.667 E: 13 32.295 2.368 0.750 0.852 1.000 0.833 CB 1.663 12 residues pruned to eliminate duplicates F: 13 40.050 2.378 0.889 0.877 1.000 0.833 CB 1.870 13 residues pruned to eliminate duplicates G: 14 37.196 2.245 1.061 0.873 1.000 0.769 CB 1.625 13 residues pruned to eliminate duplicates H: 15 35.721 2.380 0.666 0.908 1.000 0.857 CB 1.711 I: 15 30.013 2.136 1.142 0.831 0.929 0.857 CB 1.419 J: 14 31.689 2.137 1.003 0.842 0.923 0.769 CB 1.657 14 residues pruned to eliminate duplicates K: 14 31.707 2.374 0.488 0.951 1.000 0.923 CA 1.715 L: 12 30.014 2.485 0.542 0.853 0.909 0.727 CB 1.920 12 residues pruned to eliminate duplicates M: 15 30.376 2.026 1.001 0.851 1.000 0.857 CA 1.482 N: 36 37.843 2.235 0.737 0.560 0.971 0.714 CB 1.601 19 residues pruned to eliminate duplicates O: 15 37.581 2.125 1.112 0.891 1.000 0.929 CB 1.609 15 residues pruned to eliminate duplicates P: 17 27.646 2.323 0.565 0.821 0.938 0.875 CA 1.534 17 residues pruned to eliminate duplicates Q: 14 39.846 2.256 1.223 0.866 1.000 0.846 CB 1.612 14 residues pruned to eliminate duplicates R: 12 35.988 2.268 0.856 0.907 1.000 0.909 CA 1.833 12 residues pruned to eliminate duplicates S: 14 18.981 2.108 0.908 0.570 0.846 0.692 CB 1.445 T: 13 29.622 2.307 0.516 0.900 1.000 0.917 CB 1.747 13 residues pruned to eliminate duplicates U: 16 28.829 2.058 0.970 0.827 0.933 0.733 CB 1.482 16 residues pruned to eliminate duplicates V: 15 35.983 2.166 1.187 0.831 0.929 0.786 CB 1.643 15 residues pruned to eliminate duplicates W: 14 32.628 2.244 0.866 0.857 1.000 0.846 CB 1.592 14 residues pruned to eliminate duplicates X: 17 29.790 2.257 0.510 0.924 0.938 0.875 CA 1.637 15 residues pruned to eliminate duplicates Y: 15 32.945 2.177 0.959 0.824 0.929 0.786 CB 1.679 15 residues pruned to eliminate duplicates Z: 17 31.187 2.178 0.619 0.894 1.000 0.938 CB 1.587 17 residues pruned to eliminate duplicates Z: 14 27.329 2.252 0.613 0.811 0.923 0.846 CB 1.724 14 residues pruned to eliminate duplicates Z: 17 25.906 2.121 0.519 0.912 0.938 0.812 CB 1.519 Z: 13 27.475 2.171 0.842 0.879 1.000 0.667 CA 1.438 13 residues pruned to eliminate duplicates Z: 12 22.509 2.206 0.507 0.863 0.909 0.818 CB 1.647 12 residues pruned to eliminate duplicates Z: 16 24.606 2.169 0.618 0.797 0.867 0.533 CA 1.611 16 residues pruned to eliminate duplicates Z: 16 32.976 2.289 0.702 0.927 0.933 0.867 CA 1.641 16 residues pruned to eliminate duplicates Z: 15 28.715 2.127 0.564 0.886 1.000 0.786 CB 1.665 15 residues pruned to eliminate duplicates Z: 66 50.060 2.244 0.747 0.515 0.938 0.631 CB 1.663 34 residues pruned to eliminate duplicates Z: 17 27.798 2.214 0.557 0.856 0.938 0.875 CB 1.586 17 residues pruned to eliminate duplicates Z: 14 33.533 2.371 0.635 0.890 1.000 0.769 CA 1.725 14 residues pruned to eliminate duplicates Z: 32 30.470 2.064 0.753 0.620 0.968 0.742 CB 1.395 Z: 16 31.234 2.176 0.688 0.929 1.000 0.867 CB 1.537 17 residues pruned to eliminate duplicates Z: 22 25.905 2.193 0.708 0.473 0.905 0.571 CA 1.715 Z: 95 67.410 2.285 0.763 0.571 0.947 0.702 CB 1.701 95 residues pruned to eliminate duplicates Z: 16 29.607 2.272 0.311 0.937 1.000 0.933 CA 1.786 16 residues pruned to eliminate duplicates Z: 14 26.924 2.232 0.821 0.763 0.846 0.692 CB 1.720 14 residues pruned to eliminate duplicates Z: 14 27.144 2.167 0.692 0.775 1.000 0.923 CA 1.611 13 residues pruned to eliminate duplicates Z: 16 32.395 2.215 0.715 0.923 1.000 0.867 CB 1.547 16 residues pruned to eliminate duplicates Z: 67 45.161 2.156 0.646 0.589 0.970 0.727 CB 1.484 67 residues pruned to eliminate duplicates Z: 91 53.255 2.248 0.688 0.498 0.922 0.667 CB 1.607 29 residues pruned to eliminate duplicates Z: 64 49.381 2.321 0.690 0.504 0.937 0.651 CB 1.688 64 residues pruned to eliminate duplicates Z: 13 38.767 2.365 0.940 0.871 1.000 0.750 CB 1.780 13 residues pruned to eliminate duplicates Z: 19 21.262 2.142 0.874 0.465 0.944 0.611 CB 1.370 Z: 16 32.698 2.221 0.775 0.941 1.000 0.600 CB 1.487 16 residues pruned to eliminate duplicates Z: 16 27.455 2.259 0.400 0.888 0.933 0.800 CA 1.730 16 residues pruned to eliminate duplicates Z: 16 31.921 2.327 0.427 0.911 1.000 0.800 CB 1.759 16 residues pruned to eliminate duplicates Z: 35 39.170 2.268 0.657 0.588 0.971 0.765 CB 1.693 35 residues pruned to eliminate duplicates Z: 41 36.636 2.204 1.011 0.535 0.925 0.700 CB 1.365 14 residues pruned to eliminate duplicates Z: 10 14.766 1.983 0.843 0.488 0.889 0.667 CB 1.533 Z: 16 37.382 2.317 0.712 0.936 1.000 0.867 CA 1.696 16 residues pruned to eliminate duplicates Z: 25 21.238 2.115 0.764 0.449 0.917 0.792 CB 1.336 25 residues pruned to eliminate duplicates Z: 35 27.274 2.017 0.783 0.563 0.912 0.706 CB 1.343 35 residues pruned to eliminate duplicates Z: 15 27.365 2.168 0.637 0.819 0.929 0.643 CB 1.682 15 residues pruned to eliminate duplicates Z: 15 31.800 2.368 0.505 0.928 1.000 0.929 CA 1.669 15 residues pruned to eliminate duplicates Z: 63 47.525 2.227 0.765 0.539 0.887 0.597 CB 1.665 53 residues pruned to eliminate duplicates Z: 16 31.948 2.233 0.501 0.900 1.000 0.800 CB 1.759 16 residues pruned to eliminate duplicates Z: 11 20.585 2.287 0.739 0.679 0.900 0.600 CB 1.542 11 residues pruned to eliminate duplicates Z: 14 26.881 2.107 0.876 0.889 0.923 0.923 CA 1.472 14 residues pruned to eliminate duplicates Z: 10 18.816 2.068 0.783 0.751 1.000 0.889 CB 1.360 10 residues pruned to eliminate duplicates Z: 14 23.150 2.105 0.776 0.878 0.923 0.846 CA 1.350 14 residues pruned to eliminate duplicates Z: 12 26.680 2.344 0.482 0.841 0.909 0.818 CA 1.901 12 residues pruned to eliminate duplicates Z: 37 35.415 2.163 0.690 0.617 0.917 0.750 CB 1.577 37 residues pruned to eliminate duplicates Z: 32 20.354 2.071 0.603 0.378 0.935 0.645 CB 1.341 29 residues pruned to eliminate duplicates Z: 15 12.696 1.805 0.453 0.555 0.857 0.786 CB 1.430 Z: 12 38.538 2.511 0.966 0.855 0.909 0.727 CB 1.911 12 residues pruned to eliminate duplicates Z: 13 27.940 2.245 0.947 0.805 0.917 0.750 CA 1.543 13 residues pruned to eliminate duplicates Z: 17 30.249 2.156 0.589 0.897 1.000 0.875 CB 1.580 17 residues pruned to eliminate duplicates Z: 15 16.135 1.786 0.581 0.853 0.929 0.786 CB 1.216 15 residues pruned to eliminate duplicates Z: 65 48.343 2.305 0.671 0.484 0.969 0.641 CB 1.646 65 residues pruned to eliminate duplicates Z: 73 52.225 2.151 0.855 0.579 0.944 0.625 CB 1.514 73 residues pruned to eliminate duplicates Z: 15 27.606 2.166 0.870 0.794 0.857 0.714 CB 1.642 15 residues pruned to eliminate duplicates Z: 15 28.217 2.278 0.516 0.924 1.000 0.929 CB 1.534 15 residues pruned to eliminate duplicates Z: 12 13.097 1.846 0.859 0.548 0.818 0.636 CB 1.342 11 residues pruned to eliminate duplicates Z: 15 17.696 2.103 0.655 0.602 0.929 0.714 CB 1.328 15 residues pruned to eliminate duplicates Z: 61 50.740 2.271 0.714 0.556 0.950 0.650 CB 1.678 61 residues pruned to eliminate duplicates Z: 15 24.938 2.365 0.178 0.941 1.000 0.929 CB 1.660 15 residues pruned to eliminate duplicates Z: 16 28.037 2.126 0.573 0.925 1.000 0.667 CB 1.520 16 residues pruned to eliminate duplicates Z: 51 36.902 2.120 0.774 0.522 0.920 0.660 CB 1.476 51 residues pruned to eliminate duplicates Z: 95 65.216 2.289 0.822 0.555 0.915 0.638 CB 1.671 95 residues pruned to eliminate duplicates Z: 13 31.470 2.347 0.873 0.858 0.917 0.833 CB 1.660 13 residues pruned to eliminate duplicates Z: 15 36.661 2.115 1.056 0.890 1.000 0.643 CB 1.621 15 residues pruned to eliminate duplicates Z: 24 18.759 2.023 0.701 0.404 0.826 0.609 CB 1.522 24 residues pruned to eliminate duplicates Z: 14 27.398 2.113 0.987 0.857 0.923 0.846 CA 1.445 14 residues pruned to eliminate duplicates Z: 16 29.088 2.175 0.554 0.929 1.000 0.867 CB 1.555 16 residues pruned to eliminate duplicates Z: 17 28.430 2.212 0.329 0.933 1.000 0.938 CA 1.687 17 residues pruned to eliminate duplicates Z: 17 23.372 2.213 0.905 0.563 0.938 0.688 CB 1.391 19 residues pruned to eliminate duplicates Z: 16 28.377 2.203 0.537 0.929 1.000 0.600 CB 1.514 16 residues pruned to eliminate duplicates Z: 10 19.468 2.011 0.812 0.721 1.000 0.778 CB 1.458 11 residues pruned to eliminate duplicates Z: 90 42.713 2.170 0.760 0.471 0.854 0.584 CB 1.429 83 residues pruned to eliminate duplicates Z: 45 41.235 2.211 0.807 0.563 0.955 0.773 CB 1.533 46 residues pruned to eliminate duplicates Z: 28 24.306 2.047 0.896 0.444 1.000 0.667 CB 1.277 28 residues pruned to eliminate duplicates Z: 15 33.350 2.150 0.814 0.852 1.000 0.786 CB 1.691 15 residues pruned to eliminate duplicates Z: 67 47.416 2.238 0.733 0.500 0.909 0.576 CB 1.655 67 residues pruned to eliminate duplicates Z: 81 56.331 2.285 0.763 0.510 0.938 0.575 CB 1.651 81 residues pruned to eliminate duplicates Z: 64 51.548 2.348 0.653 0.513 0.952 0.635 CB 1.734 64 residues pruned to eliminate duplicates Z: 16 28.588 2.270 0.356 0.912 1.000 0.867 CB 1.698 16 residues pruned to eliminate duplicates Z: 94 54.043 2.205 0.716 0.555 0.892 0.645 CB 1.572 94 residues pruned to eliminate duplicates Z: 35 33.441 2.185 0.806 0.536 0.882 0.500 CB 1.589 35 residues pruned to eliminate duplicates Z: 19 16.849 1.985 0.798 0.359 0.889 0.444 CB 1.457 19 residues pruned to eliminate duplicates Z: 48 41.247 2.242 0.811 0.550 0.915 0.723 CB 1.543 45 residues pruned to eliminate duplicates Z: 14 30.157 2.252 0.526 0.880 1.000 0.846 CB 1.763 14 residues pruned to eliminate duplicates Z: 10 13.888 1.936 0.752 0.692 0.889 0.778 CB 1.288 Z: 44 38.493 2.170 0.850 0.529 0.930 0.721 CB 1.529 44 residues pruned to eliminate duplicates Z: 96 65.173 2.285 0.777 0.537 0.937 0.674 CB 1.695 96 residues pruned to eliminate duplicates Z: 15 38.144 2.338 0.858 0.945 1.000 0.714 CB 1.624 15 residues pruned to eliminate duplicates Z: 16 12.420 1.799 0.573 0.511 0.867 0.533 CB 1.294 16 residues pruned to eliminate duplicates Z: 48 35.692 2.249 0.570 0.477 0.894 0.617 CB 1.688 48 residues pruned to eliminate duplicates Z: 94 62.241 2.262 0.792 0.549 0.946 0.656 CB 1.604 93 residues pruned to eliminate duplicates Z: 14 22.583 2.292 0.340 0.859 0.923 0.769 CA 1.626 14 residues pruned to eliminate duplicates Z: 46 40.025 2.275 0.689 0.505 0.933 0.622 CB 1.655 46 residues pruned to eliminate duplicates Z: 36 29.712 2.074 0.934 0.532 0.857 0.657 CB 1.416 36 residues pruned to eliminate duplicates Z: 11 25.025 2.349 0.475 0.884 0.900 0.800 CB 1.834 11 residues pruned to eliminate duplicates Z: 39 27.407 2.054 0.670 0.557 0.921 0.684 CB 1.331 39 residues pruned to eliminate duplicates Z: 92 57.465 2.280 0.801 0.498 0.901 0.659 CB 1.630 74 residues pruned to eliminate duplicates Z: 63 44.378 2.191 0.763 0.511 0.919 0.613 CB 1.570 63 residues pruned to eliminate duplicates Z: 26 18.485 2.037 0.788 0.292 0.840 0.400 CB 1.525 26 residues pruned to eliminate duplicates Z: 49 42.205 2.304 0.728 0.558 0.875 0.583 CB 1.654 49 residues pruned to eliminate duplicates Z: 15 28.880 2.172 0.743 0.826 0.929 0.786 CB 1.656 15 residues pruned to eliminate duplicates Z: 16 32.299 2.269 0.492 0.949 1.000 0.933 CB 1.700 16 residues pruned to eliminate duplicates Z: 16 29.097 2.184 0.596 0.905 1.000 0.867 CB 1.535 16 residues pruned to eliminate duplicates Z: 34 28.597 2.055 0.613 0.589 0.939 0.788 CB 1.468 34 residues pruned to eliminate duplicates Z: 18 14.937 2.125 0.708 0.449 0.824 0.588 CB 1.277 18 residues pruned to eliminate duplicates Z: 56 37.716 2.221 0.765 0.454 0.891 0.564 CB 1.527 55 residues pruned to eliminate duplicates Z: 16 23.451 2.170 0.302 0.912 1.000 0.800 CA 1.517 16 residues pruned to eliminate duplicates Z: 94 59.401 2.211 0.747 0.557 0.946 0.667 CB 1.594 94 residues pruned to eliminate duplicates Z: 54 39.257 2.106 0.842 0.496 0.943 0.698 CB 1.479 54 residues pruned to eliminate duplicates Z: 14 27.032 2.181 0.696 0.911 1.000 0.769 CB 1.436 14 residues pruned to eliminate duplicates Z: 17 31.024 2.247 0.613 0.910 0.938 0.688 CA 1.618 17 residues pruned to eliminate duplicates Z: 17 23.561 2.106 0.469 0.902 0.938 0.875 CB 1.449 17 residues pruned to eliminate duplicates Z: 20 6.762 1.827 0.612 0.268 0.632 0.526 CB 1.086 20 residues pruned to eliminate duplicates Z: 44 39.010 2.285 0.669 0.469 0.953 0.558 CB 1.687 44 residues pruned to eliminate duplicates Z: 17 33.843 2.214 0.862 0.910 0.938 0.875 CA 1.553 17 residues pruned to eliminate duplicates Z: 95 66.036 2.303 0.790 0.547 0.936 0.649 CB 1.686 95 residues pruned to eliminate duplicates Z: 15 19.215 1.821 0.756 0.866 1.000 0.857 CB 1.176 15 residues pruned to eliminate duplicates Z: 27 22.447 2.075 0.887 0.489 0.846 0.538 CB 1.343 27 residues pruned to eliminate duplicates Z: 14 26.808 2.138 0.824 0.855 0.923 0.769 CA 1.524 15 residues pruned to eliminate duplicates Z: 19 16.911 2.112 0.942 0.450 0.833 0.556 CB 1.227 19 residues pruned to eliminate duplicates Z: 28 18.983 2.040 0.633 0.461 0.926 0.667 CB 1.234 28 residues pruned to eliminate duplicates Z: 12 8.636 1.920 0.635 0.546 0.909 0.727 CB 0.872 12 residues pruned to eliminate duplicates Z: 23 29.461 2.137 0.838 0.588 0.955 0.409 CB 1.540 23 residues pruned to eliminate duplicates Z: 34 28.044 2.021 0.653 0.574 1.000 0.788 CB 1.361 34 residues pruned to eliminate duplicates Z: 39 44.635 2.308 0.803 0.605 0.921 0.658 CB 1.709 39 residues pruned to eliminate duplicates Z: 57 42.385 2.314 0.650 0.477 0.929 0.571 CB 1.635 57 residues pruned to eliminate duplicates Z: 15 20.421 1.856 0.657 0.858 1.000 0.571 CB 1.307 15 residues pruned to eliminate duplicates Z: 27 27.000 2.254 0.863 0.537 0.846 0.692 CB 1.437 27 residues pruned to eliminate duplicates Z: 14 17.924 1.930 0.503 0.825 1.000 0.923 CB 1.294 14 residues pruned to eliminate duplicates Z: 34 18.590 2.046 0.659 0.424 0.848 0.424 CB 1.216 34 residues pruned to eliminate duplicates Z: 13 15.341 1.950 0.356 0.829 1.000 1.000 CB 1.260 13 residues pruned to eliminate duplicates Z: 21 16.596 1.917 0.795 0.467 0.800 0.650 CB 1.395 25 residues pruned to eliminate duplicates Z: 130 54.166 2.174 0.686 0.498 0.884 0.643 CB 1.475 130 residues pruned to eliminate duplicates Z: 19 13.250 1.839 0.356 0.514 0.944 0.778 CB 1.307 19 residues pruned to eliminate duplicates Z: 16 31.856 2.263 0.443 0.919 1.000 0.933 CB 1.776 16 residues pruned to eliminate duplicates Z: 84 44.470 2.184 0.700 0.505 0.867 0.639 CB 1.508 85 residues pruned to eliminate duplicates Z: 44 37.031 2.202 0.653 0.564 0.930 0.791 CB 1.568 44 residues pruned to eliminate duplicates Z: 6 2.759 1.661 0.224 0.289 0.800 0.400 CB 0.962 6 residues pruned to eliminate duplicates Z: 15 33.078 2.310 0.573 0.929 1.000 0.857 CA 1.702 15 residues pruned to eliminate duplicates Z: 16 13.782 1.953 0.808 0.363 0.800 0.600 CB 1.460 16 residues pruned to eliminate duplicates Z: 60 42.893 2.191 0.843 0.502 0.915 0.593 CB 1.508 64 residues pruned to eliminate duplicates Z: 23 24.807 2.136 0.998 0.498 0.864 0.682 CB 1.437 23 residues pruned to eliminate duplicates Z: 12 24.916 2.145 0.883 0.874 1.000 0.909 CA 1.354 12 residues pruned to eliminate duplicates Z: 93 55.069 2.238 0.655 0.529 0.957 0.685 CB 1.575 93 residues pruned to eliminate duplicates Z: 19 21.669 2.091 0.637 0.578 0.944 0.722 CB 1.465 19 residues pruned to eliminate duplicates Z: 13 20.161 2.009 0.873 0.625 1.000 0.833 CB 1.375 14 residues pruned to eliminate duplicates Z: 17 26.409 2.230 0.487 0.819 0.938 0.750 CA 1.610 17 residues pruned to eliminate duplicates Z: 7 17.465 2.017 1.077 0.886 1.000 1.000 CB 1.228 10 residues pruned to eliminate duplicates Z: 79 52.409 2.201 0.727 0.536 0.949 0.705 CB 1.588 79 residues pruned to eliminate duplicates Z: 26 25.867 2.164 0.920 0.467 0.880 0.680 CB 1.463 26 residues pruned to eliminate duplicates Z: 8 4.370 1.616 0.447 0.405 0.714 0.714 CB 1.092 Z: 14 14.378 2.105 0.511 0.559 0.846 0.615 CB 1.400 14 residues pruned to eliminate duplicates Z: 10 22.148 2.183 0.833 0.731 1.000 0.889 CB 1.499 10 residues pruned to eliminate duplicates Z: 10 19.474 2.192 0.815 0.631 0.889 0.889 CB 1.623 10 residues pruned to eliminate duplicates Z: 16 32.392 2.273 0.503 0.909 1.000 0.667 CB 1.738 16 residues pruned to eliminate duplicates Z: 14 17.523 1.788 0.698 0.875 1.000 0.769 CB 1.164 14 residues pruned to eliminate duplicates Z: 50 44.709 2.243 0.865 0.515 0.939 0.673 CB 1.602 50 residues pruned to eliminate duplicates Z: 94 59.191 2.250 0.711 0.547 0.946 0.613 CB 1.610 94 residues pruned to eliminate duplicates Z: 62 40.339 2.288 0.582 0.513 0.869 0.639 CB 1.622 62 residues pruned to eliminate duplicates Z: 95 66.223 2.279 0.844 0.543 0.936 0.691 CB 1.664 96 residues pruned to eliminate duplicates Z: 14 9.921 1.886 0.592 0.455 0.692 0.615 CB 1.387 14 residues pruned to eliminate duplicates Z: 18 16.382 2.147 0.709 0.481 0.882 0.706 CB 1.250 18 residues pruned to eliminate duplicates Z: 46 37.126 2.187 0.843 0.509 0.889 0.667 CB 1.531 43 residues pruned to eliminate duplicates Z: 48 39.622 2.197 0.795 0.489 0.915 0.638 CB 1.620 48 residues pruned to eliminate duplicates Z: 45 34.898 2.166 0.685 0.543 0.909 0.727 CB 1.520 45 residues pruned to eliminate duplicates Z: 16 24.555 2.148 0.485 0.903 0.933 0.733 CB 1.518 16 residues pruned to eliminate duplicates Z: 14 29.438 2.128 0.799 0.850 0.923 0.846 CB 1.712 14 residues pruned to eliminate duplicates Z: 14 17.289 1.855 0.591 0.804 1.000 0.769 CB 1.246 14 residues pruned to eliminate duplicates Z: 27 19.578 2.098 0.696 0.426 0.846 0.538 CB 1.377 27 residues pruned to eliminate duplicates Z: 94 58.054 2.255 0.699 0.537 0.946 0.645 CB 1.601 94 residues pruned to eliminate duplicates Z: 6 6.135 1.793 0.781 0.689 0.800 0.800 CB 0.903 Z: 9 8.188 1.823 0.336 0.417 1.000 0.625 CB 1.296 9 residues pruned to eliminate duplicates Z: 50 34.683 2.195 0.749 0.490 0.898 0.612 CB 1.451 50 residues pruned to eliminate duplicates Z: 7 8.519 1.381 0.812 0.864 1.000 0.833 N 1.019 7 residues pruned to eliminate duplicates Z: 51 35.268 2.090 0.632 0.540 0.940 0.680 CB 1.496 51 residues pruned to eliminate duplicates Z: 12 30.872 2.229 1.112 0.862 0.909 0.636 CA 1.596 12 residues pruned to eliminate duplicates Z: 13 16.323 2.036 1.002 0.471 0.750 0.667 CB 1.588 13 residues pruned to eliminate duplicates Z: 14 21.008 1.916 0.689 0.846 1.000 0.769 CA 1.338 14 residues pruned to eliminate duplicates Z: 10 9.394 1.752 0.807 0.368 0.889 0.444 CB 1.281 10 residues pruned to eliminate duplicates Z: 12 16.456 2.148 0.961 0.488 0.818 0.727 CA 1.457 12 residues pruned to eliminate duplicates Z: 11 13.329 2.025 0.746 0.579 0.800 0.800 CB 1.381 11 residues pruned to eliminate duplicates Z: 15 38.571 2.352 0.824 0.932 1.000 0.500 CB 1.678 15 residues pruned to eliminate duplicates Z: 12 18.009 2.037 0.677 0.633 0.909 0.636 CB 1.544 12 residues pruned to eliminate duplicates Z: 14 35.331 2.238 0.865 0.866 1.000 0.846 CB 1.719 14 residues pruned to eliminate duplicates Z: 63 44.874 2.236 0.664 0.529 0.887 0.661 CB 1.678 63 residues pruned to eliminate duplicates Z: 19 24.722 2.164 0.769 0.484 0.889 0.722 CB 1.740 19 residues pruned to eliminate duplicates Z: 13 17.067 1.840 0.703 0.843 1.000 0.667 CB 1.170 13 residues pruned to eliminate duplicates Z: 14 21.992 1.954 0.694 0.854 1.000 0.846 CA 1.361 14 residues pruned to eliminate duplicates Z: 36 30.484 2.167 0.569 0.533 0.943 0.657 CB 1.557 36 residues pruned to eliminate duplicates Z: 15 8.471 1.812 0.419 0.389 0.929 0.571 CB 1.067 15 residues pruned to eliminate duplicates Z: 11 14.281 2.053 0.947 0.571 0.700 0.700 CB 1.507 11 residues pruned to eliminate duplicates Z: 83 49.207 2.242 0.725 0.540 0.902 0.695 CB 1.496 83 residues pruned to eliminate duplicates Z: 95 54.381 2.240 0.605 0.538 0.947 0.628 CB 1.587 95 residues pruned to eliminate duplicates Z: 18 13.360 2.090 0.556 0.457 0.824 0.647 CB 1.263 18 residues pruned to eliminate duplicates Z: 71 47.988 2.241 0.735 0.569 0.900 0.629 CB 1.533 71 residues pruned to eliminate duplicates Z: 120 63.298 2.225 0.749 0.538 0.933 0.672 CB 1.541 128 residues pruned to eliminate duplicates Z: 15 14.429 2.011 0.755 0.355 0.929 0.643 CB 1.376 15 residues pruned to eliminate duplicates Z: 15 25.480 2.122 0.837 0.819 0.857 0.571 CB 1.546 15 residues pruned to eliminate duplicates Z: 17 28.046 2.118 0.508 0.923 1.000 0.875 CB 1.542 17 residues pruned to eliminate duplicates Z: 15 29.073 2.150 0.754 0.935 1.000 0.500 CB 1.436 15 residues pruned to eliminate duplicates Z: 13 22.309 1.922 0.856 0.841 1.000 0.917 CB 1.346 13 residues pruned to eliminate duplicates Z: 74 52.690 2.261 0.774 0.526 0.932 0.562 CB 1.608 74 residues pruned to eliminate duplicates Z: 29 22.105 2.114 0.921 0.396 0.821 0.679 CB 1.397 29 residues pruned to eliminate duplicates Z: 10 22.056 2.262 0.834 0.646 1.000 0.889 CB 1.546 10 residues pruned to eliminate duplicates Z: 16 35.281 2.284 0.579 0.951 1.000 0.933 CB 1.741 16 residues pruned to eliminate duplicates Z: 16 30.262 2.267 0.384 0.899 1.000 0.933 CB 1.780 16 residues pruned to eliminate duplicates Z: 13 15.324 1.864 0.523 0.852 1.000 0.750 CB 1.152 13 residues pruned to eliminate duplicates Z: 11 17.522 2.202 0.672 0.731 0.800 0.700 CB 1.529 11 residues pruned to eliminate duplicates Z: 33 29.821 2.054 0.679 0.595 0.969 0.625 CB 1.442 33 residues pruned to eliminate duplicates Z: 16 27.417 2.159 0.448 0.937 1.000 0.867 CB 1.576 16 residues pruned to eliminate duplicates Z: 12 13.051 1.958 0.718 0.460 0.818 0.818 CA 1.489 12 residues pruned to eliminate duplicates Z: 37 33.510 2.216 0.737 0.555 0.889 0.639 CB 1.548 37 residues pruned to eliminate duplicates Z: 17 20.459 2.106 0.186 0.929 0.938 0.875 CB 1.529 17 residues pruned to eliminate duplicates Z: 28 22.807 2.239 0.479 0.465 0.889 0.519 CB 1.544 28 residues pruned to eliminate duplicates Z: 21 23.619 2.086 0.798 0.521 0.900 0.650 CB 1.532 21 residues pruned to eliminate duplicates Z: 80 48.887 2.172 0.617 0.530 0.962 0.658 CB 1.580 80 residues pruned to eliminate duplicates Z: 16 22.090 2.063 0.503 0.857 0.933 0.733 CB 1.452 16 residues pruned to eliminate duplicates Z: 133 60.611 2.188 0.788 0.520 0.902 0.644 CB 1.466 39 residues pruned to eliminate duplicates Z: 10 12.456 1.932 1.055 0.427 0.889 0.556 CB 1.269 10 residues pruned to eliminate duplicates Z: 54 42.299 2.247 0.857 0.458 0.925 0.642 CB 1.573 54 residues pruned to eliminate duplicates Z: 9 16.413 2.243 0.527 0.703 1.000 0.625 CB 1.408 9 residues pruned to eliminate duplicates Z: 36 36.266 2.244 0.737 0.562 0.943 0.743 CB 1.570 36 residues pruned to eliminate duplicates Z: 40 34.720 2.155 0.788 0.563 0.923 0.667 CB 1.471 40 residues pruned to eliminate duplicates Z: 94 62.639 2.266 0.754 0.537 0.925 0.667 CB 1.704 94 residues pruned to eliminate duplicates Z: 18 21.328 2.111 0.814 0.503 0.941 0.706 CB 1.431 18 residues pruned to eliminate duplicates Z: 25 18.670 2.059 0.702 0.322 0.917 0.542 CB 1.442 25 residues pruned to eliminate duplicates Z: 94 56.616 2.234 0.714 0.563 0.914 0.634 CB 1.579 94 residues pruned to eliminate duplicates Z: 47 44.744 2.254 0.820 0.526 0.957 0.717 CB 1.638 47 residues pruned to eliminate duplicates Z: 36 32.390 2.222 0.512 0.549 0.971 0.657 CB 1.599 36 residues pruned to eliminate duplicates Z: 17 32.129 2.213 0.701 0.864 0.938 0.812 CA 1.668 17 residues pruned to eliminate duplicates Z: 27 21.185 2.124 0.729 0.416 0.846 0.769 CB 1.460 27 residues pruned to eliminate duplicates Z: 12 37.195 2.257 1.225 0.869 1.000 0.909 CA 1.631 12 residues pruned to eliminate duplicates Z: 93 51.621 2.214 0.591 0.547 0.924 0.663 CB 1.580 93 residues pruned to eliminate duplicates Z: 12 17.920 2.140 0.211 0.870 0.909 0.909 CB 1.674 12 residues pruned to eliminate duplicates Z: 94 58.010 2.219 0.787 0.548 0.925 0.624 CB 1.566 94 residues pruned to eliminate duplicates Z: 6 7.536 1.707 0.303 0.667 1.000 1.000 CA 1.299 6 residues pruned to eliminate duplicates Z: 93 54.328 2.242 0.712 0.537 0.913 0.598 CB 1.559 93 residues pruned to eliminate duplicates Z: 26 25.502 2.171 0.753 0.518 0.880 0.560 CB 1.497 26 residues pruned to eliminate duplicates Z: 7 8.972 1.907 0.798 0.407 1.000 0.500 CB 1.178 7 residues pruned to eliminate duplicates Z: 8 8.938 2.000 0.693 0.448 1.000 0.714 CB 1.052 7 residues pruned to eliminate duplicates Z: 14 20.502 1.911 0.881 0.792 1.000 0.538 CB 1.225 14 residues pruned to eliminate duplicates Z: 23 32.847 2.302 0.750 0.559 0.955 0.500 CB 1.720 23 residues pruned to eliminate duplicates Z: 94 59.782 2.263 0.721 0.548 0.968 0.656 CB 1.569 94 residues pruned to eliminate duplicates Z: 54 36.859 2.120 0.806 0.453 0.906 0.585 CB 1.531 54 residues pruned to eliminate duplicates Z: 11 15.541 2.168 0.626 0.611 0.900 0.800 CB 1.394 11 residues pruned to eliminate duplicates Z: 14 11.444 2.104 0.714 0.436 0.846 0.769 CB 1.112 14 residues pruned to eliminate duplicates Z: 16 17.830 2.193 0.904 0.390 0.800 0.667 CB 1.549 16 residues pruned to eliminate duplicates Z: 14 18.568 1.869 0.711 0.869 1.000 0.615 CB 1.177 14 residues pruned to eliminate duplicates Z: 27 21.427 2.124 0.672 0.458 0.885 0.692 CB 1.396 27 residues pruned to eliminate duplicates Z: 10 9.309 1.874 0.506 0.361 0.889 0.222 CA 1.436 10 residues pruned to eliminate duplicates Z: 9 10.552 1.869 0.538 0.434 1.000 0.750 CB 1.390 9 residues pruned to eliminate duplicates Z: 15 35.019 2.308 0.755 0.929 1.000 0.714 CA 1.617 15 residues pruned to eliminate duplicates Z: 16 33.863 2.216 0.842 0.913 1.000 0.600 CB 1.516 16 residues pruned to eliminate duplicates Z: 15 22.694 1.833 0.911 0.852 1.000 0.786 CA 1.280 15 residues pruned to eliminate duplicates Z: 91 59.529 2.192 0.838 0.542 0.944 0.589 CB 1.582 91 residues pruned to eliminate duplicates Z: 81 49.812 2.158 0.691 0.540 0.963 0.663 CB 1.525 81 residues pruned to eliminate duplicates Z: 10 20.922 2.135 1.018 0.648 0.889 0.889 CB 1.587 10 residues pruned to eliminate duplicates Z: 15 28.348 2.050 0.872 0.916 0.929 0.786 CB 1.502 15 residues pruned to eliminate duplicates Z: 11 18.421 1.902 0.711 0.776 1.000 0.900 CB 1.403 11 residues pruned to eliminate duplicates Z: 11 13.206 2.038 0.649 0.510 0.800 0.600 CB 1.537 11 residues pruned to eliminate duplicates Z: 19 15.911 2.002 0.869 0.495 0.833 0.778 CB 1.208 19 residues pruned to eliminate duplicates Z: 21 23.472 2.012 0.884 0.493 0.900 0.700 CA 1.548 21 residues pruned to eliminate duplicates Z: 14 16.853 1.869 0.839 0.857 0.923 0.462 CB 1.085 14 residues pruned to eliminate duplicates Z: 15 30.701 2.240 0.638 0.906 1.000 0.571 CB 1.591 15 residues pruned to eliminate duplicates Z: 14 18.721 1.884 0.670 0.862 1.000 0.846 CB 1.211 14 residues pruned to eliminate duplicates Z: 15 18.304 1.866 0.609 0.834 0.929 0.857 CA 1.315 15 residues pruned to eliminate duplicates Z: 94 51.257 2.225 0.701 0.532 0.882 0.677 CB 1.544 94 residues pruned to eliminate duplicates Z: 110 65.158 2.217 0.895 0.551 0.945 0.651 CB 1.496 110 residues pruned to eliminate duplicates Z: 10 3.621 1.808 -0.001 0.290 0.778 0.444 CA 1.088 10 residues pruned to eliminate duplicates Z: 11 10.853 2.125 0.433 0.355 1.000 0.600 CB 1.318 11 residues pruned to eliminate duplicates Z: 50 41.321 2.202 0.689 0.546 0.959 0.612 CA 1.582 50 residues pruned to eliminate duplicates Z: 12 34.822 2.287 0.876 0.885 1.000 0.909 CA 1.766 12 residues pruned to eliminate duplicates Z: 14 12.892 1.676 0.559 0.912 0.923 0.769 CB 1.050 14 residues pruned to eliminate duplicates Z: 18 9.223 1.958 0.624 0.343 0.824 0.647 CB 1.013 18 residues pruned to eliminate duplicates Z: 94 58.448 2.262 0.708 0.530 0.946 0.645 CB 1.610 94 residues pruned to eliminate duplicates Z: 6 3.181 1.885 0.054 0.394 0.800 0.400 CA 1.001 6 residues pruned to eliminate duplicates Z: 17 18.923 2.028 0.638 0.474 0.938 0.750 CA 1.560 17 residues pruned to eliminate duplicates Z: 9 4.168 1.783 0.266 0.331 0.625 0.375 CB 1.257 9 residues pruned to eliminate duplicates Z: 17 18.206 2.082 0.635 0.463 0.938 0.750 CB 1.481 17 residues pruned to eliminate duplicates Z: 75 62.464 2.332 0.863 0.543 0.946 0.676 CB 1.695 75 residues pruned to eliminate duplicates Z: 47 39.542 2.193 0.782 0.539 0.957 0.674 CB 1.502 47 residues pruned to eliminate duplicates Z: 17 28.520 2.126 0.620 0.932 1.000 0.875 CB 1.445 17 residues pruned to eliminate duplicates Z: 25 24.885 2.091 0.737 0.564 0.917 0.750 CB 1.433 25 residues pruned to eliminate duplicates Z: 11 3.785 1.544 -0.072 0.277 0.900 0.700 CB 1.193 11 residues pruned to eliminate duplicates Z: 16 37.062 2.235 0.770 0.940 1.000 0.933 CA 1.680 16 residues pruned to eliminate duplicates Z: 9 18.792 1.884 1.095 0.872 1.000 1.000 CB 1.227 7 residues pruned to eliminate duplicates Z: 10 2.731 1.485 0.111 0.328 0.778 0.444 CB 0.858 Z: 36 39.008 2.242 0.823 0.563 0.943 0.714 CB 1.609 36 residues pruned to eliminate duplicates Z: 16 38.747 2.234 0.836 0.948 1.000 0.933 CB 1.685 16 residues pruned to eliminate duplicates Z: 8 7.145 1.688 0.785 0.658 1.000 0.714 CB 0.774 Z: 43 43.415 2.284 0.774 0.577 0.929 0.619 CB 1.654 43 residues pruned to eliminate duplicates Z: 6 4.548 1.513 1.220 0.296 0.800 0.400 C 0.950 Z: 29 24.406 2.061 0.887 0.535 0.857 0.607 CB 1.337 29 residues pruned to eliminate duplicates Z: 7 2.951 1.547 0.551 0.544 0.833 0.667 CB 0.577 Z: 14 24.250 2.158 0.910 0.507 0.923 0.846 CB 1.755 14 residues pruned to eliminate duplicates Z: 6 2.141 1.470 -0.037 0.355 1.000 0.600 CB 0.791 Z: 29 20.825 2.117 0.666 0.464 0.893 0.679 CB 1.297 29 residues pruned to eliminate duplicates Z: 83 57.150 2.264 0.718 0.564 0.939 0.671 CB 1.625 83 residues pruned to eliminate duplicates Z: 14 19.189 1.916 0.614 0.822 1.000 0.846 CA 1.301 14 residues pruned to eliminate duplicates Z: 10 11.788 1.839 0.978 0.697 0.778 0.778 CB 1.160 10 residues pruned to eliminate duplicates Z: 6 6.225 1.322 0.620 0.880 1.000 1.000 CB 0.942 Z: 28 31.637 2.295 0.524 0.641 0.963 0.667 CB 1.584 28 residues pruned to eliminate duplicates Z: 16 29.927 2.248 0.428 0.907 1.000 0.800 CB 1.711 16 residues pruned to eliminate duplicates Z: 59 43.325 2.180 0.802 0.519 0.914 0.621 CB 1.555 59 residues pruned to eliminate duplicates Z: 94 60.093 2.218 0.760 0.559 0.935 0.634 CB 1.612 94 residues pruned to eliminate duplicates Z: 10 7.369 1.744 0.298 0.549 1.000 0.556 CB 1.034 10 residues pruned to eliminate duplicates Z: 12 3.654 1.522 0.328 0.304 0.727 0.364 CB 0.931 Z: 9 10.689 1.527 0.798 0.641 1.000 0.625 CA 1.206 9 residues pruned to eliminate duplicates Z: 13 8.994 1.800 0.647 0.334 0.833 0.583 CA 1.260 13 residues pruned to eliminate duplicates Z: 81 55.504 2.245 0.789 0.518 0.913 0.663 CB 1.664 81 residues pruned to eliminate duplicates Z: 76 55.424 2.300 0.848 0.546 0.907 0.653 CB 1.588 76 residues pruned to eliminate duplicates Z: 14 22.153 2.126 0.742 0.519 1.000 0.769 CA 1.627 14 residues pruned to eliminate duplicates Z: 15 17.335 1.847 0.713 0.881 0.929 0.786 CB 1.142 15 residues pruned to eliminate duplicates Z: 19 22.593 2.153 0.344 0.845 0.944 0.889 CA 1.449 19 residues pruned to eliminate duplicates Z: 32 22.077 1.937 0.765 0.518 0.806 0.484 CB 1.412 32 residues pruned to eliminate duplicates Z: 6 5.651 1.712 0.812 0.814 1.000 1.000 N 0.620 6 residues pruned to eliminate duplicates Z: 46 36.484 2.254 0.509 0.551 0.911 0.489 CB 1.671 46 residues pruned to eliminate duplicates Z: 29 28.099 2.105 0.744 0.507 0.929 0.750 CB 1.547 29 residues pruned to eliminate duplicates Z: 51 44.218 2.221 0.698 0.579 0.960 0.660 CA 1.602 51 residues pruned to eliminate duplicates Z: 9 15.149 2.023 0.657 0.662 1.000 1.000 CA 1.375 9 residues pruned to eliminate duplicates Z: 92 58.461 2.223 0.807 0.521 0.945 0.725 CB 1.582 92 residues pruned to eliminate duplicates Z: 30 31.561 2.126 0.775 0.514 0.931 0.690 CA 1.646 30 residues pruned to eliminate duplicates Z: 82 52.809 2.243 0.734 0.496 0.914 0.654 CB 1.657 82 residues pruned to eliminate duplicates Z: 16 18.191 2.099 0.763 0.505 1.000 0.733 CB 1.262 16 residues pruned to eliminate duplicates Z: 33 26.323 2.137 0.399 0.509 0.969 0.656 CB 1.593 33 residues pruned to eliminate duplicates Z: 14 21.167 2.084 0.652 0.587 1.000 0.923 CA 1.569 14 residues pruned to eliminate duplicates Z: 12 9.413 1.786 0.775 0.451 0.727 0.545 CA 1.295 12 residues pruned to eliminate duplicates Z: 47 37.404 2.143 0.699 0.546 0.891 0.739 CB 1.624 45 residues pruned to eliminate duplicates Z: 15 7.862 1.453 0.953 0.429 0.786 0.571 CB 1.014 Z: 12 17.649 2.093 0.751 0.613 0.909 0.818 CB 1.435 12 residues pruned to eliminate duplicates Z: 18 24.766 2.240 0.693 0.517 0.941 0.765 CB 1.655 18 residues pruned to eliminate duplicates Z: 15 17.522 1.765 0.809 0.854 0.929 0.643 CB 1.166 15 residues pruned to eliminate duplicates Z: 52 42.787 2.286 0.673 0.487 0.941 0.627 CB 1.687 52 residues pruned to eliminate duplicates Z: 26 31.737 2.267 0.750 0.606 0.880 0.720 CB 1.644 26 residues pruned to eliminate duplicates Z: 14 19.151 2.000 0.739 0.531 1.000 0.692 CB 1.481 14 residues pruned to eliminate duplicates Z: 43 37.852 2.212 0.846 0.554 0.833 0.690 CB 1.628 43 residues pruned to eliminate duplicates Z: 9 6.634 1.982 0.161 0.358 0.875 0.500 CB 1.357 Z: 21 27.409 2.259 0.784 0.554 0.900 0.800 CB 1.603 21 residues pruned to eliminate duplicates Z: 8 4.635 1.606 0.918 0.574 0.857 0.714 CB 0.618 8 residues pruned to eliminate duplicates Z: 33 30.516 2.153 0.687 0.550 0.969 0.531 CB 1.461 33 residues pruned to eliminate duplicates Z: 117 73.679 2.257 0.884 0.543 0.948 0.672 CB 1.626 119 residues pruned to eliminate duplicates Z: 38 30.583 2.307 0.691 0.454 0.865 0.595 CB 1.562 38 residues pruned to eliminate duplicates Z: 49 37.762 2.245 0.576 0.532 0.917 0.583 CB 1.628 49 residues pruned to eliminate duplicates Z: 8 3.836 1.567 0.131 0.585 0.857 0.714 CB 0.880 Z: 14 16.033 2.059 0.742 0.583 0.846 0.692 CB 1.353 14 residues pruned to eliminate duplicates Z: 15 30.452 2.233 0.711 0.936 1.000 0.643 CB 1.484 15 residues pruned to eliminate duplicates Z: 6 3.329 1.644 -0.063 0.650 1.000 0.600 CB 0.841 6 residues pruned to eliminate duplicates Z: 14 19.563 1.847 0.670 0.857 1.000 0.692 CB 1.296 14 residues pruned to eliminate duplicates Z: 95 56.834 2.233 0.644 0.545 0.957 0.670 CB 1.596 95 residues pruned to eliminate duplicates Z: 52 49.637 2.266 0.963 0.536 0.941 0.725 CB 1.602 52 residues pruned to eliminate duplicates Z: 7 3.633 1.387 0.077 0.411 1.000 0.500 C 1.091 Z: 10 18.243 2.145 0.801 0.584 0.889 0.889 CB 1.634 10 residues pruned to eliminate duplicates Z: 15 18.101 2.041 0.483 0.502 1.000 0.643 CA 1.596 15 residues pruned to eliminate duplicates Z: 9 7.834 1.913 0.644 0.294 0.875 0.625 CB 1.268 9 residues pruned to eliminate duplicates Z: 6 3.253 1.796 0.334 0.279 0.800 0.400 CB 0.975 Z: 14 23.468 1.950 0.871 0.866 1.000 0.846 CB 1.306 14 residues pruned to eliminate duplicates Z: 93 66.887 2.275 0.835 0.543 0.935 0.750 CB 1.713 93 residues pruned to eliminate duplicates Z: 6 4.783 1.366 0.524 0.614 0.800 0.600 N 1.153 Z: 10 16.338 2.104 0.642 0.657 0.889 0.889 CA 1.533 10 residues pruned to eliminate duplicates Z: 91 59.035 2.263 0.698 0.547 0.967 0.622 CB 1.601 91 residues pruned to eliminate duplicates Z: 11 12.740 2.000 0.772 0.432 0.900 0.600 CB 1.355 11 residues pruned to eliminate duplicates Z: 7 4.428 1.604 -0.008 0.476 0.833 0.667 CB 1.396 Z: 15 33.443 2.123 0.923 0.918 1.000 0.786 CA 1.544 15 residues pruned to eliminate duplicates Z: 15 15.945 2.048 0.475 0.559 1.000 0.857 CB 1.332 15 residues pruned to eliminate duplicates 6 1.462 1.276 0.162 0.443 0.600 0.600 CB 0.779 ? Z: 16 32.976 2.226 0.749 0.915 1.000 0.800 CA 1.547 16 residues pruned to eliminate duplicates Z: 22 27.394 2.109 0.804 0.532 1.000 0.762 CB 1.523 22 residues pruned to eliminate duplicates Z: 48 35.380 2.145 0.657 0.560 0.915 0.638 CA 1.498 48 residues pruned to eliminate duplicates Z: 13 16.716 1.704 0.698 0.885 1.000 0.833 CB 1.204 13 residues pruned to eliminate duplicates Z: 30 22.564 2.099 1.095 0.384 0.828 0.586 CB 1.303 30 residues pruned to eliminate duplicates Z: 11 5.451 1.555 0.277 0.371 0.900 0.300 CB 1.107 10 residues pruned to eliminate duplicates Z: 27 16.094 1.923 0.518 0.391 0.885 0.538 CB 1.372 40 residues pruned to eliminate duplicates Z: 24 19.945 1.904 0.660 0.616 0.913 0.696 CB 1.291 24 residues pruned to eliminate duplicates Z: 34 30.994 1.978 0.902 0.614 0.970 0.727 CB 1.327 34 residues pruned to eliminate duplicates Z: 44 32.987 2.237 0.535 0.479 0.930 0.674 CA 1.608 44 residues pruned to eliminate duplicates Z: 22 27.553 2.174 0.744 0.479 0.952 0.619 CA 1.701 22 residues pruned to eliminate duplicates Z: 35 27.791 2.001 0.665 0.591 0.941 0.735 CB 1.393 35 residues pruned to eliminate duplicates Z: 16 32.296 2.256 0.614 0.931 1.000 0.867 CA 1.600 16 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 36 36.192 2.217 0.673 0.552 0.971 0.657 CB 1.614 36 residues pruned to eliminate duplicates Z: 81 60.168 2.314 0.759 0.523 0.950 0.650 CB 1.701 81 residues pruned to eliminate duplicates Z: 36 37.462 2.256 0.740 0.567 0.943 0.771 CB 1.604 36 residues pruned to eliminate duplicates Z: 6 5.568 1.636 0.696 0.335 1.000 0.600 CA 1.075 6 residues pruned to eliminate duplicates Z: 35 39.972 2.285 0.760 0.564 0.971 0.735 CB 1.650 35 residues pruned to eliminate duplicates Z: 80 62.175 2.314 0.800 0.537 0.949 0.684 CB 1.706 80 residues pruned to eliminate duplicates Z: 36 38.850 2.245 0.777 0.555 0.971 0.714 CB 1.606 36 residues pruned to eliminate duplicates Z: 6 5.791 1.682 0.707 0.292 0.800 0.200 O 1.425 6 residues pruned to eliminate duplicates Z: 36 39.554 2.266 0.865 0.550 0.943 0.714 CB 1.598 36 residues pruned to eliminate duplicates Z: 35 43.983 2.296 0.895 0.573 0.971 0.735 CB 1.664 35 residues pruned to eliminate duplicates Z: 36 41.260 2.253 0.925 0.552 0.943 0.743 CB 1.621 36 residues pruned to eliminate duplicates Z: 95 69.157 2.285 0.874 0.534 0.947 0.628 CB 1.701 95 residues pruned to eliminate duplicates Z: 97 65.790 2.269 0.823 0.551 0.927 0.646 CB 1.667 97 residues pruned to eliminate duplicates Z: 36 41.811 2.253 0.962 0.545 0.943 0.743 CB 1.623 36 residues pruned to eliminate duplicates Z: 81 56.318 2.296 0.673 0.512 0.950 0.738 CB 1.704 81 residues pruned to eliminate duplicates Z: 95 61.927 2.278 0.808 0.557 0.894 0.681 CB 1.641 95 residues pruned to eliminate duplicates Z: 36 40.137 2.270 0.888 0.545 0.943 0.686 CB 1.607 36 residues pruned to eliminate duplicates Z: 36 37.228 2.249 0.898 0.518 0.914 0.714 CB 1.584 36 residues pruned to eliminate duplicates Z: 42 30.970 2.159 0.848 0.449 0.854 0.537 CB 1.496 42 residues pruned to eliminate duplicates Z: 37 36.886 2.211 0.897 0.538 0.917 0.722 CB 1.540 36 residues pruned to eliminate duplicates Z: 15 34.122 2.180 1.063 0.833 0.929 0.786 CB 1.638 15 residues pruned to eliminate duplicates Z: 47 51.613 2.324 0.943 0.537 0.957 0.739 CB 1.698 47 residues pruned to eliminate duplicates Z: 36 41.515 2.257 0.911 0.563 0.971 0.714 CB 1.575 36 residues pruned to eliminate duplicates Z: 95 70.846 2.293 0.886 0.539 0.947 0.649 CB 1.719 95 residues pruned to eliminate duplicates Z: 95 67.516 2.271 0.834 0.543 0.957 0.681 CB 1.673 95 residues pruned to eliminate duplicates Z: 95 64.887 2.265 0.833 0.520 0.957 0.628 CB 1.650 95 residues pruned to eliminate duplicates Z: 47 49.236 2.305 0.962 0.514 0.935 0.739 CB 1.694 47 residues pruned to eliminate duplicates Z: 97 61.622 2.251 0.811 0.529 0.906 0.625 CB 1.655 97 residues pruned to eliminate duplicates Z: 50 45.625 2.203 0.962 0.520 0.918 0.714 CB 1.611 50 residues pruned to eliminate duplicates Z: 47 51.297 2.321 0.999 0.526 0.935 0.739 CB 1.700 47 residues pruned to eliminate duplicates Z: 51 33.992 2.201 0.618 0.453 0.860 0.600 CA 1.647 51 residues pruned to eliminate duplicates Z: 81 59.505 2.272 0.859 0.490 0.938 0.625 CB 1.698 81 residues pruned to eliminate duplicates Z: 64 48.115 2.269 0.819 0.496 0.905 0.587 CB 1.630 64 residues pruned to eliminate duplicates Z: 18 16.987 2.247 0.794 0.298 0.882 0.588 CB 1.451 18 residues pruned to eliminate duplicates Z: 95 64.967 2.274 0.791 0.535 0.957 0.638 CB 1.660 95 residues pruned to eliminate duplicates Z: 95 65.203 2.281 0.781 0.542 0.957 0.617 CB 1.659 95 residues pruned to eliminate duplicates Z: 47 38.247 2.280 0.644 0.489 0.913 0.630 CB 1.666 47 residues pruned to eliminate duplicates Z: 53 49.831 2.296 0.894 0.519 0.942 0.654 CB 1.654 53 residues pruned to eliminate duplicates Z: 95 67.645 2.291 0.879 0.541 0.915 0.713 CB 1.701 95 residues pruned to eliminate duplicates Z: 42 35.990 2.247 0.606 0.483 0.951 0.634 CA 1.666 42 residues pruned to eliminate duplicates Z: 95 66.235 2.266 0.824 0.540 0.947 0.606 CB 1.678 95 residues pruned to eliminate duplicates Z: 8 4.853 1.672 0.329 0.342 0.857 0.286 CA 1.144 8 residues pruned to eliminate duplicates Z: 60 45.405 2.257 0.660 0.513 0.932 0.610 CA 1.670 60 residues pruned to eliminate duplicates Z: 95 64.779 2.292 0.812 0.541 0.915 0.660 CB 1.689 95 residues pruned to eliminate duplicates Z: 69 46.643 2.226 0.776 0.489 0.926 0.588 CB 1.562 69 residues pruned to eliminate duplicates Z: 66 47.976 2.254 0.763 0.503 0.923 0.615 CB 1.618 66 residues pruned to eliminate duplicates Z: 60 48.710 2.289 0.762 0.539 0.915 0.644 CA 1.653 60 residues pruned to eliminate duplicates Z: 56 47.261 2.302 0.795 0.525 0.891 0.636 CA 1.689 56 residues pruned to eliminate duplicates Z: 58 44.243 2.240 0.762 0.496 0.912 0.526 CA 1.634 58 residues pruned to eliminate duplicates Z: 48 38.068 2.213 0.762 0.540 0.872 0.553 CA 1.570 48 residues pruned to eliminate duplicates Z: 95 64.501 2.286 0.760 0.545 0.947 0.702 CB 1.672 95 residues pruned to eliminate duplicates Z: 44 37.646 2.282 0.677 0.485 0.930 0.605 CA 1.637 44 residues pruned to eliminate duplicates Z: 47 37.909 2.244 0.692 0.529 0.891 0.587 CA 1.605 47 residues pruned to eliminate duplicates Z: 31 38.730 2.370 0.833 0.556 0.900 0.667 CB 1.712 31 residues pruned to eliminate duplicates Z: 95 62.595 2.253 0.891 0.552 0.904 0.660 CB 1.593 95 residues pruned to eliminate duplicates Z: 66 49.544 2.260 0.852 0.502 0.923 0.615 CB 1.587 66 residues pruned to eliminate duplicates Z: 95 68.322 2.287 0.906 0.549 0.926 0.681 CB 1.665 96 residues pruned to eliminate duplicates Z: 16 38.127 2.304 0.773 0.930 1.000 0.867 CA 1.685 16 residues pruned to eliminate duplicates Z: 64 48.159 2.203 0.933 0.570 0.889 0.651 CB 1.498 64 residues pruned to eliminate duplicates Z: 50 46.499 2.313 0.844 0.472 0.959 0.673 CB 1.671 50 residues pruned to eliminate duplicates Z: 94 68.014 2.297 0.855 0.552 0.935 0.667 CB 1.683 94 residues pruned to eliminate duplicates Z: 47 35.238 2.228 0.733 0.555 0.826 0.543 CA 1.544 47 residues pruned to eliminate duplicates Z: 73 47.626 2.153 0.896 0.501 0.889 0.597 CB 1.545 73 residues pruned to eliminate duplicates Z: 57 46.032 2.269 0.808 0.529 0.893 0.625 CA 1.632 57 residues pruned to eliminate duplicates Z: 23 31.703 2.253 0.802 0.546 0.955 0.636 CA 1.667 23 residues pruned to eliminate duplicates Z: 36 41.431 2.265 0.882 0.628 0.886 0.714 CA 1.644 36 residues pruned to eliminate duplicates Z: 50 44.276 2.237 0.762 0.568 0.959 0.551 CA 1.567 50 residues pruned to eliminate duplicates Z: 83 55.724 2.247 0.823 0.514 0.902 0.598 CB 1.642 83 residues pruned to eliminate duplicates Z: 56 49.565 2.289 0.779 0.552 0.945 0.564 CA 1.649 56 residues pruned to eliminate duplicates Z: 60 53.532 2.285 0.806 0.535 0.966 0.627 CA 1.689 60 residues pruned to eliminate duplicates Z: 44 41.842 2.217 0.789 0.580 0.930 0.605 CA 1.601 44 residues pruned to eliminate duplicates Z: 62 56.921 2.277 0.934 0.554 0.951 0.689 CB 1.652 62 residues pruned to eliminate duplicates Z: 37 41.187 2.251 0.887 0.601 0.944 0.639 CA 1.554 37 residues pruned to eliminate duplicates Z: 61 46.707 2.224 0.838 0.521 0.917 0.667 CB 1.575 61 residues pruned to eliminate duplicates Z: 61 53.096 2.257 0.875 0.549 0.933 0.667 CB 1.655 61 residues pruned to eliminate duplicates Z: 61 55.021 2.292 0.859 0.540 0.933 0.617 CA 1.717 61 residues pruned to eliminate duplicates Z: 74 48.682 2.216 0.800 0.535 0.877 0.616 CB 1.574 74 residues pruned to eliminate duplicates Z: 70 52.567 2.230 0.843 0.521 0.942 0.623 CA 1.601 70 residues pruned to eliminate duplicates Z: 55 47.407 2.250 0.793 0.534 0.981 0.630 CA 1.576 55 residues pruned to eliminate duplicates Z: 37 40.367 2.221 0.827 0.589 0.972 0.500 CA 1.566 37 residues pruned to eliminate duplicates Z: 54 47.372 2.267 0.846 0.542 0.943 0.585 CB 1.581 54 residues pruned to eliminate duplicates Z: 72 46.436 2.174 0.727 0.513 0.944 0.592 CB 1.535 72 residues pruned to eliminate duplicates Z: 64 55.936 2.295 0.835 0.537 0.952 0.651 CA 1.694 64 residues pruned to eliminate duplicates Z: 92 51.844 2.195 0.774 0.493 0.923 0.604 CB 1.522 92 residues pruned to eliminate duplicates Z: 12 17.147 2.081 0.920 0.559 0.909 0.636 CA 1.344 12 residues pruned to eliminate duplicates Z: 30 21.138 1.980 0.947 0.406 0.828 0.621 CB 1.359 30 residues pruned to eliminate duplicates Z: 26 16.674 2.020 0.735 0.444 0.920 0.560 CB 1.096 26 residues pruned to eliminate duplicates Z: 79 48.969 2.201 0.821 0.475 0.910 0.654 CB 1.558 79 residues pruned to eliminate duplicates Z: 75 51.454 2.202 0.851 0.502 0.905 0.568 CB 1.617 75 residues pruned to eliminate duplicates Z: 86 61.025 2.243 0.899 0.522 0.965 0.682 CB 1.575 86 residues pruned to eliminate duplicates Z: 26 24.703 2.053 1.028 0.504 0.920 0.760 CB 1.284 26 residues pruned to eliminate duplicates Z: 17 20.675 2.178 0.775 0.472 0.938 0.625 CB 1.467 17 residues pruned to eliminate duplicates Z: 25 20.187 2.109 0.766 0.468 0.875 0.667 CB 1.306 25 residues pruned to eliminate duplicates Z: 119 66.627 2.258 0.856 0.517 0.907 0.653 CB 1.588 119 residues pruned to eliminate duplicates Z: 116 69.181 2.261 0.854 0.522 0.930 0.626 CB 1.618 116 residues pruned to eliminate duplicates Z: 24 24.105 2.167 0.851 0.488 0.870 0.652 CB 1.458 24 residues pruned to eliminate duplicates Z: 24 23.703 2.139 0.927 0.497 0.913 0.739 CB 1.317 24 residues pruned to eliminate duplicates Z: 17 15.176 2.122 0.733 0.365 0.875 0.625 CB 1.363 17 residues pruned to eliminate duplicates Z: 20 12.683 1.909 0.757 0.263 0.842 0.579 CB 1.351 20 residues pruned to eliminate duplicates Z: 16 11.990 1.968 0.894 0.292 0.867 0.667 CB 1.210 16 residues pruned to eliminate duplicates Z: 36 33.084 2.139 0.923 0.558 0.886 0.571 CB 1.451 36 residues pruned to eliminate duplicates Z: 32 21.656 1.956 0.812 0.480 0.903 0.548 CB 1.239 32 residues pruned to eliminate duplicates Z: 79 42.797 2.189 0.673 0.481 0.872 0.564 CB 1.546 79 residues pruned to eliminate duplicates Z: 29 25.078 2.144 0.875 0.466 0.893 0.536 CB 1.367 29 residues pruned to eliminate duplicates Z: 17 21.460 2.184 0.906 0.493 0.938 0.562 CB 1.385 17 residues pruned to eliminate duplicates Z: 72 47.984 2.149 0.869 0.527 0.944 0.549 CB 1.464 72 residues pruned to eliminate duplicates Z: 28 24.190 2.168 0.909 0.469 0.926 0.593 CB 1.254 28 residues pruned to eliminate duplicates Z: 9 9.367 2.021 0.923 0.452 0.750 0.500 CB 1.193 9 residues pruned to eliminate duplicates Z: 71 51.204 2.163 0.849 0.538 0.943 0.643 CB 1.563 71 residues pruned to eliminate duplicates Z: 17 13.670 1.907 0.603 0.430 0.875 0.688 CB 1.374 17 residues pruned to eliminate duplicates Z: 22 16.771 2.021 0.700 0.498 0.857 0.667 CB 1.245 22 residues pruned to eliminate duplicates Z: 45 28.943 2.169 0.895 0.407 0.841 0.568 CB 1.391 45 residues pruned to eliminate duplicates Z: 14 18.394 2.188 0.580 0.559 0.923 0.769 CB 1.510 14 residues pruned to eliminate duplicates Z: 16 14.631 1.925 0.771 0.537 0.933 0.600 CB 1.145 14 residues pruned to eliminate duplicates Z: 6 3.485 1.510 0.663 0.285 0.800 0.600 CA 0.988 6 residues pruned to eliminate duplicates Z: 47 39.571 2.118 0.797 0.532 0.957 0.630 CB 1.553 47 residues pruned to eliminate duplicates Z: 51 43.491 2.158 0.821 0.554 0.940 0.720 CB 1.579 51 residues pruned to eliminate duplicates Z: 121 63.658 2.231 0.767 0.540 0.925 0.708 CB 1.533 121 residues pruned to eliminate duplicates Z: 35 29.239 2.071 0.744 0.547 0.971 0.676 CB 1.367 35 residues pruned to eliminate duplicates Z: 15 25.909 2.025 0.866 0.816 1.000 0.857 CB 1.393 15 residues pruned to eliminate duplicates Z: 53 40.570 2.135 0.791 0.518 0.923 0.635 CB 1.566 53 residues pruned to eliminate duplicates Z: 34 23.311 2.000 0.736 0.488 0.909 0.636 CB 1.301 34 residues pruned to eliminate duplicates Z: 46 41.410 2.140 0.891 0.535 0.956 0.667 CB 1.542 46 residues pruned to eliminate duplicates Z: 94 57.069 2.200 0.767 0.552 0.903 0.677 CB 1.601 94 residues pruned to eliminate duplicates Z: 94 57.750 2.214 0.763 0.545 0.925 0.688 CB 1.587 94 residues pruned to eliminate duplicates Z: 94 56.962 2.220 0.747 0.544 0.925 0.667 CB 1.577 94 residues pruned to eliminate duplicates Z: 33 29.064 2.052 0.796 0.570 0.938 0.688 CB 1.389 33 residues pruned to eliminate duplicates Z: 96 53.795 2.180 0.738 0.523 0.895 0.632 CB 1.592 96 residues pruned to eliminate duplicates Z: 95 59.212 2.208 0.773 0.548 0.936 0.649 CB 1.591 95 residues pruned to eliminate duplicates Z: 34 30.174 1.999 0.964 0.595 0.939 0.667 CB 1.301 34 residues pruned to eliminate duplicates Z: 81 51.988 2.192 0.697 0.523 0.963 0.637 CB 1.587 81 residues pruned to eliminate duplicates Z: 15 20.909 1.849 1.041 0.883 0.929 0.429 CB 1.153 15 residues pruned to eliminate duplicates Z: 80 46.950 2.182 0.758 0.514 0.886 0.646 CB 1.533 80 residues pruned to eliminate duplicates Z: 80 50.754 2.185 0.757 0.516 0.937 0.620 CB 1.564 80 residues pruned to eliminate duplicates Z: 94 59.310 2.216 0.767 0.555 0.925 0.613 CB 1.611 94 residues pruned to eliminate duplicates 6 1.934 1.534 0.315 0.231 0.600 0.200 CB 0.978 ? Z: 7 6.772 1.800 0.380 0.403 1.000 0.500 CA 1.232 7 residues pruned to eliminate duplicates Z: 78 43.459 2.163 0.733 0.462 0.870 0.558 CB 1.579 78 residues pruned to eliminate duplicates Z: 35 36.245 2.242 0.682 0.623 0.912 0.676 CB 1.610 35 residues pruned to eliminate duplicates Z: 81 46.536 2.161 0.712 0.510 0.900 0.663 CB 1.548 81 residues pruned to eliminate duplicates Z: 47 40.778 2.267 0.717 0.468 0.957 0.696 CB 1.669 47 residues pruned to eliminate duplicates Z: 89 52.016 2.205 0.814 0.505 0.898 0.648 CB 1.536 89 residues pruned to eliminate duplicates Z: 47 39.517 2.279 0.683 0.496 0.913 0.565 CB 1.670 47 residues pruned to eliminate duplicates Z: 61 49.401 2.302 0.731 0.548 0.917 0.633 CB 1.665 61 residues pruned to eliminate duplicates Z: 63 47.735 2.243 0.716 0.507 0.935 0.565 CB 1.673 63 residues pruned to eliminate duplicates Z: 91 56.493 2.216 0.823 0.530 0.889 0.633 CB 1.610 91 residues pruned to eliminate duplicates Z: 58 44.627 2.278 0.657 0.527 0.947 0.649 CB 1.610 58 residues pruned to eliminate duplicates Z: 60 52.591 2.308 0.779 0.559 0.949 0.610 CB 1.659 60 residues pruned to eliminate duplicates Z: 33 33.630 2.095 1.058 0.468 0.875 0.594 CB 1.629 33 residues pruned to eliminate duplicates Z: 60 44.771 2.278 0.727 0.530 0.864 0.661 CB 1.664 60 residues pruned to eliminate duplicates Z: 36 30.011 2.209 0.531 0.512 0.914 0.629 CB 1.621 36 residues pruned to eliminate duplicates Z: 61 49.263 2.307 0.778 0.534 0.900 0.700 CB 1.665 61 residues pruned to eliminate duplicates Z: 62 52.505 2.282 0.770 0.554 0.934 0.705 CB 1.690 62 residues pruned to eliminate duplicates Z: 61 47.014 2.259 0.767 0.545 0.883 0.583 CB 1.648 61 residues pruned to eliminate duplicates Z: 43 38.060 2.262 0.660 0.489 0.952 0.667 CB 1.661 43 residues pruned to eliminate duplicates Z: 81 49.287 2.155 0.758 0.516 0.913 0.562 CB 1.568 81 residues pruned to eliminate duplicates Z: 94 57.945 2.216 0.747 0.561 0.935 0.699 CB 1.564 94 residues pruned to eliminate duplicates Z: 61 50.543 2.303 0.793 0.554 0.900 0.667 CB 1.666 61 residues pruned to eliminate duplicates Z: 61 51.820 2.279 0.832 0.552 0.917 0.650 CB 1.661 61 residues pruned to eliminate duplicates Z: 60 54.649 2.323 0.773 0.564 0.932 0.644 CB 1.742 60 residues pruned to eliminate duplicates Z: 80 50.217 2.193 0.754 0.522 0.911 0.557 CB 1.577 80 residues pruned to eliminate duplicates Z: 94 61.626 2.217 0.835 0.576 0.925 0.667 CB 1.579 94 residues pruned to eliminate duplicates Z: 16 30.865 2.225 0.577 0.937 1.000 0.933 CB 1.580 16 residues pruned to eliminate duplicates Z: 60 56.373 2.326 0.849 0.560 0.949 0.644 CB 1.696 60 residues pruned to eliminate duplicates Z: 61 51.944 2.303 0.838 0.538 0.917 0.633 CB 1.665 61 residues pruned to eliminate duplicates Z: 93 60.119 2.218 0.844 0.553 0.913 0.652 CB 1.594 93 residues pruned to eliminate duplicates Z: 62 54.974 2.290 0.886 0.555 0.918 0.574 CB 1.683 62 residues pruned to eliminate duplicates Z: 82 49.798 2.154 0.787 0.520 0.926 0.691 CB 1.522 82 residues pruned to eliminate duplicates Z: 60 49.646 2.295 0.791 0.530 0.915 0.525 CB 1.667 60 residues pruned to eliminate duplicates Z: 92 56.773 2.192 0.805 0.530 0.934 0.637 CB 1.563 92 residues pruned to eliminate duplicates Z: 61 44.236 2.248 0.766 0.507 0.883 0.500 CB 1.617 61 residues pruned to eliminate duplicates Z: 61 43.330 2.253 0.734 0.538 0.867 0.600 CB 1.591 61 residues pruned to eliminate duplicates Z: 48 41.773 2.254 0.727 0.503 0.957 0.574 CB 1.630 48 residues pruned to eliminate duplicates Z: 51 39.015 2.228 0.707 0.476 0.920 0.620 CB 1.615 51 residues pruned to eliminate duplicates Z: 61 54.329 2.305 0.899 0.571 0.900 0.683 CB 1.662 61 residues pruned to eliminate duplicates Z: 93 56.381 2.210 0.806 0.545 0.902 0.598 CB 1.562 93 residues pruned to eliminate duplicates Z: 93 59.450 2.224 0.888 0.558 0.902 0.609 CB 1.547 93 residues pruned to eliminate duplicates Z: 88 53.808 2.258 0.735 0.532 0.920 0.678 CB 1.553 88 residues pruned to eliminate duplicates Z: 61 53.576 2.300 0.820 0.572 0.933 0.700 CB 1.651 61 residues pruned to eliminate duplicates Z: 92 62.326 2.221 0.811 0.591 0.945 0.659 CB 1.576 93 residues pruned to eliminate duplicates Z: 14 39.515 2.239 1.215 0.858 1.000 0.769 CB 1.628 14 residues pruned to eliminate duplicates Z: 15 29.163 2.250 0.929 0.743 0.857 0.714 CA 1.686 15 residues pruned to eliminate duplicates Z: 61 52.647 2.283 0.903 0.569 0.900 0.650 CB 1.626 61 residues pruned to eliminate duplicates Z: 65 48.538 2.223 0.815 0.522 0.922 0.609 CB 1.597 65 residues pruned to eliminate duplicates Z: 62 49.607 2.267 0.846 0.565 0.885 0.672 CB 1.609 62 residues pruned to eliminate duplicates Z: 52 41.300 2.260 0.687 0.556 0.882 0.588 CB 1.628 52 residues pruned to eliminate duplicates Z: 60 53.074 2.308 0.836 0.535 0.949 0.593 CB 1.660 60 residues pruned to eliminate duplicates Z: 61 54.411 2.274 0.886 0.574 0.933 0.650 CB 1.634 61 residues pruned to eliminate duplicates Z: 17 31.291 2.275 0.966 0.675 0.875 0.750 CB 1.701 17 residues pruned to eliminate duplicates Z: 65 49.188 2.250 0.815 0.522 0.891 0.578 CB 1.654 65 residues pruned to eliminate duplicates Z: 88 55.093 2.272 0.822 0.517 0.897 0.701 CB 1.565 88 residues pruned to eliminate duplicates Z: 84 50.137 2.211 0.834 0.528 0.880 0.578 CB 1.502 84 residues pruned to eliminate duplicates Z: 82 59.566 2.273 0.850 0.536 0.951 0.654 CB 1.599 82 residues pruned to eliminate duplicates Z: 83 61.654 2.274 0.918 0.548 0.939 0.695 CB 1.587 83 residues pruned to eliminate duplicates Z: 30 22.602 2.102 0.763 0.449 0.931 0.690 CB 1.282 30 residues pruned to eliminate duplicates Z: 88 62.662 2.256 0.952 0.551 0.943 0.724 CB 1.541 88 residues pruned to eliminate duplicates Z: 87 54.493 2.252 0.854 0.518 0.907 0.709 CB 1.524 87 residues pruned to eliminate duplicates Z: 83 50.387 2.242 0.741 0.513 0.927 0.610 CB 1.518 83 residues pruned to eliminate duplicates Z: 76 56.514 2.255 0.926 0.549 0.920 0.667 CB 1.557 76 residues pruned to eliminate duplicates Z: 79 58.417 2.298 0.858 0.528 0.923 0.654 CB 1.631 79 residues pruned to eliminate duplicates Z: 18 20.585 2.180 0.902 0.502 0.941 0.647 CB 1.277 18 residues pruned to eliminate duplicates Z: 30 22.671 2.096 0.807 0.518 0.931 0.621 CB 1.173 30 residues pruned to eliminate duplicates Z: 77 52.536 2.268 0.910 0.542 0.868 0.684 CB 1.539 77 residues pruned to eliminate duplicates Z: 84 56.135 2.250 0.862 0.528 0.928 0.699 CB 1.542 84 residues pruned to eliminate duplicates Z: 29 23.598 2.160 0.879 0.448 0.929 0.643 CB 1.249 29 residues pruned to eliminate duplicates Z: 17 10.344 2.143 0.178 0.403 0.938 0.688 CB 1.210 17 residues pruned to eliminate duplicates Z: 20 11.580 2.083 0.437 0.371 0.842 0.474 CB 1.211 20 residues pruned to eliminate duplicates Z: 22 10.969 1.966 0.497 0.343 0.762 0.429 CB 1.267 22 residues pruned to eliminate duplicates Z: 77 47.725 2.223 0.735 0.524 0.934 0.645 CB 1.485 77 residues pruned to eliminate duplicates Z: 20 12.928 2.115 0.424 0.351 0.895 0.526 CB 1.294 20 residues pruned to eliminate duplicates Z: 28 26.136 2.199 0.739 0.483 0.926 0.704 CB 1.444 29 residues pruned to eliminate duplicates Z: 6 3.911 1.400 0.579 0.400 1.000 0.800 CA 0.880 6 residues pruned to eliminate duplicates Z: 31 23.025 2.061 0.748 0.409 0.933 0.667 CB 1.375 31 residues pruned to eliminate duplicates Z: 19 14.281 2.056 0.660 0.398 0.889 0.556 CB 1.236 18 residues pruned to eliminate duplicates Z: 6 4.950 1.512 0.741 0.362 1.000 0.800 CA 0.975 6 residues pruned to eliminate duplicates Z: 8 16.089 2.005 0.935 0.872 1.000 0.857 CB 1.142 8 residues pruned to eliminate duplicates Z: 9 14.297 1.869 0.913 0.761 0.875 0.750 CB 1.282 9 residues pruned to eliminate duplicates Z: 64 49.544 2.327 0.741 0.516 0.921 0.635 CB 1.648 64 residues pruned to eliminate duplicates Z: 66 49.440 2.276 0.804 0.508 0.908 0.600 CB 1.634 66 residues pruned to eliminate duplicates Z: 48 41.589 2.273 0.879 0.464 0.894 0.596 CB 1.648 48 residues pruned to eliminate duplicates Z: 51 44.991 2.323 0.733 0.561 0.920 0.500 CB 1.619 61 residues pruned to eliminate duplicates Z: 6 9.421 2.018 0.482 0.428 1.000 0.000 CB 1.518 6 residues pruned to eliminate duplicates Z: 44 42.714 2.331 0.629 0.584 0.953 0.721 CB 1.660 54 residues pruned to eliminate duplicates Z: 64 51.552 2.327 0.740 0.530 0.937 0.683 CB 1.664 64 residues pruned to eliminate duplicates Z: 63 54.654 2.328 0.811 0.545 0.935 0.629 CB 1.683 63 residues pruned to eliminate duplicates Z: 94 56.561 2.214 0.792 0.566 0.903 0.634 CB 1.535 94 residues pruned to eliminate duplicates Z: 45 41.471 2.256 0.706 0.542 0.955 0.614 CB 1.633 45 residues pruned to eliminate duplicates Z: 48 44.355 2.328 0.740 0.552 0.936 0.660 CB 1.621 48 residues pruned to eliminate duplicates Z: 44 45.075 2.281 0.766 0.573 0.977 0.628 CB 1.628 44 residues pruned to eliminate duplicates Z: 63 50.851 2.319 0.779 0.528 0.919 0.661 CB 1.656 63 residues pruned to eliminate duplicates Z: 47 43.310 2.316 0.686 0.537 0.957 0.630 CB 1.648 47 residues pruned to eliminate duplicates Z: 66 50.739 2.292 0.819 0.509 0.892 0.692 CB 1.676 66 residues pruned to eliminate duplicates Z: 46 43.625 2.271 0.725 0.569 0.933 0.711 CB 1.664 46 residues pruned to eliminate duplicates Z: 43 43.568 2.299 0.686 0.581 0.952 0.762 CB 1.684 43 residues pruned to eliminate duplicates Z: 45 40.342 2.239 0.781 0.550 0.909 0.659 CB 1.598 45 residues pruned to eliminate duplicates Z: 64 48.024 2.328 0.755 0.508 0.889 0.619 CB 1.653 63 residues pruned to eliminate duplicates Z: 12 36.130 2.520 0.827 0.837 0.909 0.818 CA 1.947 13 residues pruned to eliminate duplicates Z: 13 30.408 2.352 0.826 0.736 0.917 0.833 CB 1.803 13 residues pruned to eliminate duplicates Z: 118 63.199 2.231 0.793 0.530 0.932 0.658 CB 1.522 95 residues pruned to eliminate duplicates Z: 15 28.979 2.317 0.917 0.698 0.786 0.714 CA 1.854 15 residues pruned to eliminate duplicates Z: 31 27.691 2.087 0.908 0.455 0.933 0.667 CB 1.424 31 residues pruned to eliminate duplicates Z: 25 18.791 2.116 0.684 0.444 0.875 0.750 CB 1.303 25 residues pruned to eliminate duplicates Z: 31 25.834 2.141 0.745 0.465 0.967 0.700 CB 1.353 31 residues pruned to eliminate duplicates Z: 25 21.252 2.092 0.762 0.431 0.917 0.708 CB 1.379 25 residues pruned to eliminate duplicates Z: 26 24.359 2.165 0.810 0.500 0.920 0.760 CB 1.351 26 residues pruned to eliminate duplicates Z: 30 24.030 2.148 0.744 0.448 0.897 0.690 CB 1.401 30 residues pruned to eliminate duplicates Z: 26 19.087 2.122 0.794 0.444 0.880 0.680 CB 1.207 26 residues pruned to eliminate duplicates Z: 26 23.776 2.168 0.758 0.453 0.920 0.680 CB 1.423 26 residues pruned to eliminate duplicates Z: 14 19.216 2.012 0.847 0.556 1.000 0.615 CB 1.359 14 residues pruned to eliminate duplicates Z: 29 25.316 2.151 0.802 0.483 0.929 0.679 CB 1.352 30 residues pruned to eliminate duplicates Z: 8 5.699 1.768 0.086 0.417 0.857 0.714 CA 1.427 8 residues pruned to eliminate duplicates Z: 66 36.956 2.079 0.665 0.517 0.923 0.631 CB 1.410 30 residues pruned to eliminate duplicates Z: 6 6.475 1.662 0.463 0.440 1.000 0.400 CA 1.266 6 residues pruned to eliminate duplicates Z: 116 53.023 2.153 0.786 0.476 0.913 0.635 CB 1.443 116 residues pruned to eliminate duplicates Z: 17 12.463 2.024 0.436 0.422 1.000 0.562 CB 1.163 17 residues pruned to eliminate duplicates Z: 14 7.534 2.055 0.755 0.317 0.692 0.538 CB 1.025 14 residues pruned to eliminate duplicates Z: 19 15.673 2.086 0.856 0.363 0.944 0.667 CB 1.171 19 residues pruned to eliminate duplicates Z: 91 51.703 2.247 0.816 0.485 0.878 0.633 CB 1.544 91 residues pruned to eliminate duplicates Z: 19 17.411 2.147 0.993 0.421 0.833 0.611 CB 1.250 19 residues pruned to eliminate duplicates Z: 21 16.120 1.946 0.732 0.360 0.850 0.550 CB 1.464 21 residues pruned to eliminate duplicates Z: 29 20.870 2.110 0.854 0.435 0.893 0.643 CB 1.207 29 residues pruned to eliminate duplicates Z: 14 15.700 1.928 0.710 0.492 1.000 0.692 CB 1.331 14 residues pruned to eliminate duplicates Z: 42 21.601 1.953 0.582 0.390 0.927 0.561 CB 1.324 42 residues pruned to eliminate duplicates Z: 14 16.513 1.986 0.508 0.555 1.000 0.615 CB 1.450 14 residues pruned to eliminate duplicates Z: 40 28.943 2.152 0.783 0.463 0.923 0.615 CB 1.358 40 residues pruned to eliminate duplicates Z: 15 16.397 1.867 0.624 0.552 0.929 0.571 CB 1.479 15 residues pruned to eliminate duplicates Z: 14 16.509 1.929 0.778 0.514 0.846 0.615 CB 1.555 14 residues pruned to eliminate duplicates Z: 13 17.381 2.017 0.535 0.562 1.000 0.750 CB 1.526 13 residues pruned to eliminate duplicates Z: 132 56.713 2.155 0.721 0.502 0.885 0.618 CB 1.505 95 residues pruned to eliminate duplicates Z: 6 5.909 1.558 0.915 0.323 1.000 0.600 C 1.076 6 residues pruned to eliminate duplicates Z: 94 56.552 2.254 0.667 0.557 0.946 0.656 CB 1.561 94 residues pruned to eliminate duplicates Z: 94 56.370 2.241 0.672 0.546 0.935 0.602 CB 1.595 45 residues pruned to eliminate duplicates Z: 6 3.522 1.881 0.378 0.238 0.800 0.400 CA 1.030 6 residues pruned to eliminate duplicates Z: 92 61.218 2.295 0.688 0.559 0.945 0.703 CB 1.656 92 residues pruned to eliminate duplicates Z: 45 41.647 2.213 0.793 0.549 0.955 0.682 CB 1.580 45 residues pruned to eliminate duplicates Z: 93 57.016 2.276 0.666 0.541 0.935 0.641 CB 1.611 93 residues pruned to eliminate duplicates Z: 45 37.312 2.185 0.749 0.537 0.909 0.659 CB 1.562 45 residues pruned to eliminate duplicates Z: 52 40.206 2.168 0.824 0.539 0.922 0.745 CB 1.487 52 residues pruned to eliminate duplicates Z: 33 34.807 2.222 0.896 0.541 0.875 0.750 CB 1.603 33 residues pruned to eliminate duplicates Z: 45 35.149 2.136 0.738 0.536 0.909 0.659 CB 1.515 45 residues pruned to eliminate duplicates Z: 93 59.415 2.283 0.720 0.544 0.935 0.696 CB 1.616 93 residues pruned to eliminate duplicates Z: 35 26.692 2.068 0.649 0.556 0.912 0.647 CB 1.394 35 residues pruned to eliminate duplicates Z: 94 60.897 2.249 0.721 0.554 0.957 0.613 CB 1.618 94 residues pruned to eliminate duplicates Z: 45 38.293 2.178 0.856 0.518 0.909 0.773 CB 1.543 45 residues pruned to eliminate duplicates Z: 94 61.919 2.273 0.733 0.553 0.957 0.688 CB 1.618 94 residues pruned to eliminate duplicates Z: 94 61.404 2.278 0.800 0.533 0.925 0.677 CB 1.625 94 residues pruned to eliminate duplicates Z: 94 54.874 2.256 0.658 0.542 0.925 0.667 CB 1.578 94 residues pruned to eliminate duplicates Z: 93 58.771 2.274 0.690 0.537 0.946 0.696 CB 1.626 93 residues pruned to eliminate duplicates Z: 52 37.313 2.158 0.777 0.518 0.902 0.667 CB 1.484 52 residues pruned to eliminate duplicates Z: 93 60.731 2.276 0.750 0.541 0.957 0.620 CB 1.597 93 residues pruned to eliminate duplicates Z: 94 57.352 2.246 0.718 0.531 0.935 0.656 CB 1.597 94 residues pruned to eliminate duplicates Z: 18 18.468 1.820 0.918 0.684 0.882 0.588 CB 1.228 18 residues pruned to eliminate duplicates Z: 93 59.731 2.279 0.720 0.547 0.946 0.652 CB 1.605 93 residues pruned to eliminate duplicates Z: 6 4.464 1.305 0.655 0.394 1.000 0.400 C 1.034 Z: 6 2.559 1.783 0.679 0.100 0.600 0.200 CB 1.062 7 residues pruned to eliminate duplicates Z: 6 6.211 1.808 0.607 0.345 1.000 0.400 CA 1.131 6 residues pruned to eliminate duplicates Z: 16 17.753 2.147 0.862 0.314 0.800 0.533 CB 1.761 21 residues pruned to eliminate duplicates Z: 66 46.428 2.279 0.636 0.488 0.938 0.600 CB 1.666 66 residues pruned to eliminate duplicates Z: 15 17.096 2.187 0.912 0.326 0.786 0.643 CA 1.683 15 residues pruned to eliminate duplicates Z: 94 55.211 2.237 0.716 0.531 0.935 0.613 CB 1.547 94 residues pruned to eliminate duplicates Z: 34 16.602 1.939 0.742 0.286 0.848 0.394 CB 1.282 34 residues pruned to eliminate duplicates Z: 65 50.432 2.307 0.766 0.478 0.938 0.625 CB 1.688 65 residues pruned to eliminate duplicates Z: 65 51.204 2.310 0.759 0.481 0.938 0.625 CB 1.712 65 residues pruned to eliminate duplicates Z: 6 3.647 1.387 0.403 0.378 1.000 0.600 C 0.954 6 residues pruned to eliminate duplicates Z: 64 45.508 2.302 0.645 0.510 0.905 0.540 CB 1.656 64 residues pruned to eliminate duplicates Z: 94 57.455 2.265 0.705 0.540 0.935 0.602 CB 1.585 94 residues pruned to eliminate duplicates Z: 48 39.535 2.290 0.542 0.526 0.957 0.617 CB 1.663 48 residues pruned to eliminate duplicates Z: 120 62.702 2.263 0.764 0.537 0.899 0.639 CB 1.544 94 residues pruned to eliminate duplicates Z: 19 31.756 2.260 0.475 0.794 1.000 0.778 CB 1.735 19 residues pruned to eliminate duplicates Z: 50 38.259 2.259 0.630 0.512 0.918 0.653 CB 1.598 50 residues pruned to eliminate duplicates Z: 49 39.063 2.294 0.647 0.526 0.896 0.625 CB 1.624 49 residues pruned to eliminate duplicates Z: 43 44.404 2.346 0.623 0.583 0.976 0.643 CB 1.703 43 residues pruned to eliminate duplicates Z: 65 47.539 2.291 0.681 0.514 0.906 0.578 CB 1.679 65 residues pruned to eliminate duplicates Z: 31 29.763 2.294 0.517 0.498 0.933 0.633 CB 1.677 31 residues pruned to eliminate duplicates Z: 45 40.042 2.285 0.590 0.559 0.955 0.659 CB 1.644 45 residues pruned to eliminate duplicates Z: 65 43.975 2.294 0.624 0.497 0.875 0.625 CB 1.692 65 residues pruned to eliminate duplicates Z: 47 42.128 2.310 0.654 0.527 0.935 0.630 CB 1.693 47 residues pruned to eliminate duplicates Z: 49 34.672 2.215 0.634 0.479 0.917 0.500 CB 1.541 49 residues pruned to eliminate duplicates Z: 53 38.785 2.220 0.733 0.450 0.904 0.558 CB 1.629 53 residues pruned to eliminate duplicates Z: 64 47.130 2.314 0.679 0.516 0.905 0.619 CB 1.663 64 residues pruned to eliminate duplicates Z: 64 47.980 2.320 0.674 0.509 0.921 0.587 CB 1.675 64 residues pruned to eliminate duplicates Z: 79 49.509 2.320 0.707 0.489 0.910 0.628 CB 1.572 79 residues pruned to eliminate duplicates 396 residues left after pruning, divided into chains as follows: A: 9 B: 136 C: 120 D: 131 CC for partial structure against native data = 42.13 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 4 used as input for final density modification = 0.300, Contrast = 0.450, Connect. = 0.737 for dens.mod. cycle 1 = 0.300, Contrast = 0.515, Connect. = 0.762 for dens.mod. cycle 2 = 0.300, Contrast = 0.620, Connect. = 0.789 for dens.mod. cycle 3 = 0.300, Contrast = 0.631, Connect. = 0.791 for dens.mod. cycle 4 = 0.300, Contrast = 0.645, Connect. = 0.794 for dens.mod. cycle 5 = 0.300, Contrast = 0.652, Connect. = 0.795 for dens.mod. cycle 6 = 0.300, Contrast = 0.660, Connect. = 0.797 for dens.mod. cycle 7 = 0.300, Contrast = 0.664, Connect. = 0.798 for dens.mod. cycle 8 = 0.300, Contrast = 0.668, Connect. = 0.798 for dens.mod. cycle 9 = 0.300, Contrast = 0.671, Connect. = 0.799 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 3.80 - 3.00 - 2.61 - 2.37 - 2.19 - 2.06 - 1.96 - 1.87 - 1.80 - 1.73 0.708 0.733 0.715 0.718 0.715 0.720 0.694 0.674 0.649 0.612 0.869 0.886 0.857 0.847 0.835 0.835 0.808 0.776 0.753 0.717 N 4860 4846 4907 4791 5097 4845 4660 5083 4685 4650 Estimated mean FOM = 0.694 Pseudo-free CC = 71.30 % Best trace (cycle 4 with CC 42.13%) was saved as ./1vmf-1.7-parrot-noncs/1vmf-1.7-parrot-noncs.pdb ============================================================================== CPU times required in seconds ----------------------------- 0.4 - Setup, data input and phasing 6.2 - FFTs and peak-searches 14.9 - Sphere of influence 0.5 - Rest of density modification 0.0 - Alpha-helix search 1174.7 - Tripeptide search 11762.4 - Chain tracing 0.0 - NCS analysis 32.3 - B-value refinement for trace 0.2 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 05:26:39 Total time: 12991.66 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 217.58 Used memory is bytes: 21566656