null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 19:54:16 on 14 Sep 2019 + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Please cite: I. Uson & G.M. Sheldrick (2018), "An introduction to experimental phasing of macromolecules illustrated by SHELX; new autotracing features" Acta Cryst. D74, 106-116 (Open Access) if SHELXE proves useful. Command line parameters: ./1vme-1.8-parrot-mrncs/1vme-1.8-parrot-mrncs.phi -a -n -t20 Cell and symmetry only from ./1vme-1.8-parrot-mrncs/1vme-1.8-parrot-mrncs.ins Phases from ./1vme-1.8-parrot-mrncs/1vme-1.8-parrot-mrncs.phi Native data from ./1vme-1.8-parrot-mrncs/1vme-1.8-parrot-mrncs.hkl Listing output to ./1vme-1.8-parrot-mrncs/1vme-1.8-parrot-mrncs.lst Phases output to ./1vme-1.8-parrot-mrncs/1vme-1.8-parrot-mrncs.phs Poly-Ala trace output to ./1vme-1.8-parrot-mrncs/1vme-1.8-parrot-mrncs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 1 21 1 Allowed origin shift code: 2 81222 Reflections read from file ./1vme-1.8-parrot-mrncs/1vme-1.8-parrot-mrncs.phi 81222 Reflections read from file ./1vme-1.8-parrot-mrncs/1vme-1.8-parrot-mrncs.hkl 81222 Unique data, highest resolution = 1.802 Angstroms Anisotropic scaling: intensities multiplied by 0.000085h^2 +0.000173k^2 -0.000160l^2 +0.000000kl -0.001672hl +0.000000hk 137 Reflections with d > 2.002 and 0 in range 2.002 > d > 1.802 added Density sharpening factor set to 1.05 Fourier grid = 128 x 256 x 75 0.000 <= z <= 0.500 92 Point spherical net set up with radius 2.42A 32 Extra Fourier layers will be generated <|E^2-1|> = 0.712 = 0.300, Contrast = 0.568, Connect. = 0.788 for dens.mod. cycle 1 = 0.300, Contrast = 0.636, Connect. = 0.795 for dens.mod. cycle 2 = 0.300, Contrast = 0.713, Connect. = 0.807 for dens.mod. cycle 3 = 0.300, Contrast = 0.728, Connect. = 0.811 for dens.mod. cycle 4 = 0.300, Contrast = 0.736, Connect. = 0.814 for dens.mod. cycle 5 = 0.300, Contrast = 0.740, Connect. = 0.815 for dens.mod. cycle 6 = 0.300, Contrast = 0.742, Connect. = 0.817 for dens.mod. cycle 7 = 0.300, Contrast = 0.744, Connect. = 0.818 for dens.mod. cycle 8 = 0.300, Contrast = 0.744, Connect. = 0.818 for dens.mod. cycle 9 = 0.300, Contrast = 0.744, Connect. = 0.819 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3671 peaks > 0.5 sigma used to seed fragment search Space for about 1045 unique residues taking solvent into account 976 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 7 32.245 2.654 0.910 0.884 1.000 0.833 CA 1.876 B: 17 35.239 2.210 1.150 0.911 0.875 0.750 CB 1.502 C: 12 37.442 2.313 1.052 0.873 1.000 0.545 CB 1.733 7 residues pruned to eliminate duplicates D: 15 45.614 2.355 1.192 0.904 1.000 0.857 CA 1.682 E: 15 49.247 2.394 1.287 0.905 1.000 0.929 CB 1.711 17 residues pruned to eliminate duplicates F: 14 26.479 2.106 1.045 0.761 0.923 0.769 CB 1.465 G: 14 14.392 2.177 0.899 0.281 0.846 0.462 CB 1.462 H: 21 41.375 2.126 0.944 0.902 1.000 0.800 CB 1.597 I: 62 42.938 2.143 0.864 0.560 0.902 0.574 CB 1.440 J: 16 43.612 2.294 1.243 0.883 0.933 0.800 CA 1.695 16 residues pruned to eliminate duplicates K: 18 25.664 2.137 0.542 0.797 1.000 0.765 CB 1.457 L: 15 20.770 2.106 0.985 0.405 0.929 0.571 CB 1.580 M: 12 22.853 2.391 1.025 0.833 0.636 0.545 CA 1.677 12 residues pruned to eliminate duplicates N: 15 46.727 2.386 1.203 0.926 0.929 0.857 CB 1.794 15 residues pruned to eliminate duplicates O: 15 48.331 2.452 1.180 0.910 1.000 0.929 CB 1.714 15 residues pruned to eliminate duplicates P: 38 48.806 2.276 0.822 0.855 0.919 0.757 CB 1.555 Q: 16 20.085 2.093 0.811 0.456 0.867 0.467 CA 1.651 R: 21 50.244 2.374 1.077 0.933 0.950 0.850 CB 1.674 21 residues pruned to eliminate duplicates S: 37 31.410 2.047 1.010 0.452 0.944 0.583 CB 1.415 18 residues pruned to eliminate duplicates T: 21 48.665 2.242 1.148 0.915 1.000 0.800 CB 1.597 21 residues pruned to eliminate duplicates U: 38 46.336 2.270 0.694 0.868 0.919 0.730 CB 1.576 38 residues pruned to eliminate duplicates V: 20 49.940 2.397 0.983 0.893 1.000 0.684 CB 1.729 20 residues pruned to eliminate duplicates W: 11 24.980 2.194 0.963 0.816 0.900 0.800 CA 1.548 11 residues pruned to eliminate duplicates X: 18 25.866 2.037 0.815 0.760 0.941 0.588 CB 1.430 14 residues pruned to eliminate duplicates Y: 22 43.424 2.217 0.880 0.860 1.000 0.714 CB 1.672 22 residues pruned to eliminate duplicates Z: 15 48.189 2.400 1.199 0.926 1.000 0.929 CB 1.712 15 residues pruned to eliminate duplicates Z: 15 32.393 2.239 0.868 0.941 1.000 1.000 CB 1.436 15 residues pruned to eliminate duplicates Z: 29 40.219 2.313 0.949 0.515 0.964 0.679 CB 1.723 23 residues pruned to eliminate duplicates Z: 14 30.430 2.234 1.085 0.732 0.923 0.615 CA 1.593 13 residues pruned to eliminate duplicates Z: 21 51.084 2.378 1.132 0.921 0.950 0.700 CB 1.669 21 residues pruned to eliminate duplicates Z: 79 48.457 2.165 0.931 0.505 0.885 0.603 CB 1.476 25 residues pruned to eliminate duplicates Z: 42 33.760 2.064 0.838 0.591 0.902 0.707 CB 1.412 42 residues pruned to eliminate duplicates Z: 21 18.425 2.166 0.764 0.508 0.900 0.650 CB 1.188 21 residues pruned to eliminate duplicates Z: 17 22.375 2.095 1.017 0.731 0.750 0.562 CB 1.433 17 residues pruned to eliminate duplicates Z: 58 39.208 2.205 0.997 0.536 0.842 0.509 CB 1.352 58 residues pruned to eliminate duplicates Z: 14 30.137 2.143 0.894 0.830 1.000 0.923 CB 1.549 14 residues pruned to eliminate duplicates Z: 13 28.436 2.325 1.023 0.749 0.917 0.667 CB 1.525 13 residues pruned to eliminate duplicates Z: 17 31.194 2.230 1.060 0.775 0.938 0.750 CB 1.421 18 residues pruned to eliminate duplicates Z: 14 29.262 2.302 0.556 0.911 1.000 0.846 CB 1.607 14 residues pruned to eliminate duplicates Z: 9 9.315 2.026 1.061 0.427 0.875 0.500 CB 0.973 Z: 12 35.301 2.464 0.944 0.821 1.000 0.727 CB 1.683 12 residues pruned to eliminate duplicates Z: 34 29.386 2.121 1.034 0.516 0.818 0.576 CB 1.427 30 residues pruned to eliminate duplicates Z: 16 28.605 2.031 0.685 0.955 1.000 0.733 CB 1.484 Z: 67 45.625 2.138 0.971 0.574 0.864 0.561 CB 1.437 63 residues pruned to eliminate duplicates Z: 31 42.348 2.417 1.061 0.542 0.900 0.633 CB 1.655 13 residues pruned to eliminate duplicates Z: 16 19.711 2.171 0.894 0.480 0.867 0.467 CA 1.457 Z: 32 39.179 2.295 1.019 0.509 0.935 0.645 CB 1.608 30 residues pruned to eliminate duplicates Z: 21 25.671 2.266 0.742 0.458 0.900 0.500 CB 1.686 Z: 16 30.254 2.113 1.159 0.782 0.933 0.733 CB 1.431 16 residues pruned to eliminate duplicates Z: 21 23.800 1.982 0.913 0.730 0.900 0.700 CB 1.268 21 residues pruned to eliminate duplicates Z: 39 40.531 2.286 1.048 0.478 0.921 0.553 CB 1.559 32 residues pruned to eliminate duplicates Z: 93 61.882 2.263 0.840 0.595 0.946 0.674 CB 1.497 77 residues pruned to eliminate duplicates Z: 13 45.182 2.528 1.011 0.938 1.000 0.917 CB 1.784 13 residues pruned to eliminate duplicates Z: 26 23.400 2.101 1.071 0.423 0.880 0.440 CB 1.325 26 residues pruned to eliminate duplicates Z: 15 33.869 2.254 1.203 0.848 0.929 0.786 CB 1.455 15 residues pruned to eliminate duplicates Z: 16 39.004 2.248 1.123 0.861 1.000 0.867 CA 1.551 16 residues pruned to eliminate duplicates Z: 14 27.831 2.271 0.804 0.809 0.923 0.846 CB 1.559 14 residues pruned to eliminate duplicates Z: 11 30.436 2.253 1.107 0.872 1.000 1.000 CB 1.478 11 residues pruned to eliminate duplicates Z: 15 52.960 2.302 1.570 0.909 1.000 0.857 CA 1.698 Z: 6 6.176 1.797 0.120 0.667 0.800 0.600 CA 1.471 6 residues pruned to eliminate duplicates Z: 15 17.109 2.095 0.200 0.907 1.000 0.786 CB 1.293 15 residues pruned to eliminate duplicates Z: 14 28.551 2.372 0.428 0.938 1.000 1.000 CB 1.626 14 residues pruned to eliminate duplicates Z: 17 26.274 1.938 0.768 0.919 1.000 0.750 CB 1.352 17 residues pruned to eliminate duplicates Z: 13 14.966 2.024 1.084 0.444 0.833 0.583 CB 1.302 13 residues pruned to eliminate duplicates Z: 12 20.255 2.062 1.142 0.776 0.818 0.818 CB 1.325 12 residues pruned to eliminate duplicates Z: 111 55.489 2.125 0.923 0.552 0.891 0.573 CB 1.381 79 residues pruned to eliminate duplicates Z: 20 40.848 2.272 0.846 0.903 1.000 0.947 CB 1.592 20 residues pruned to eliminate duplicates Z: 12 16.160 2.137 0.677 0.473 0.909 0.545 CB 1.536 12 residues pruned to eliminate duplicates Z: 31 37.994 2.326 0.961 0.529 0.900 0.633 CB 1.642 32 residues pruned to eliminate duplicates Z: 15 20.041 2.120 0.925 0.347 1.000 0.643 CB 1.549 15 residues pruned to eliminate duplicates Z: 13 32.816 2.133 1.324 0.827 1.000 0.917 CB 1.440 13 residues pruned to eliminate duplicates Z: 15 20.505 2.101 0.833 0.368 1.000 0.786 CB 1.640 15 residues pruned to eliminate duplicates Z: 15 35.963 2.260 0.979 0.841 1.000 0.786 CB 1.603 Z: 11 17.354 2.090 0.266 0.885 1.000 0.900 CB 1.497 11 residues pruned to eliminate duplicates Z: 24 45.336 2.421 1.124 0.582 0.957 0.739 CB 1.777 24 residues pruned to eliminate duplicates Z: 15 27.943 2.065 0.777 0.922 0.929 0.786 CB 1.542 15 residues pruned to eliminate duplicates Z: 14 39.701 2.402 0.935 0.923 1.000 0.846 CB 1.665 14 residues pruned to eliminate duplicates Z: 23 42.221 2.383 0.774 0.897 0.909 0.773 CB 1.677 23 residues pruned to eliminate duplicates Z: 18 22.824 2.118 1.017 0.487 0.882 0.647 CB 1.488 18 residues pruned to eliminate duplicates Z: 27 26.332 2.293 0.931 0.484 0.808 0.500 CB 1.468 23 residues pruned to eliminate duplicates Z: 20 22.717 2.185 0.944 0.409 0.947 0.474 CB 1.424 20 residues pruned to eliminate duplicates Z: 20 41.911 2.199 1.058 0.931 0.947 0.842 CB 1.567 20 residues pruned to eliminate duplicates Z: 86 58.465 2.252 1.110 0.543 0.894 0.588 CB 1.431 32 residues pruned to eliminate duplicates Z: 15 33.496 2.248 1.032 0.833 0.929 0.714 CB 1.583 15 residues pruned to eliminate duplicates Z: 14 33.067 2.385 0.635 0.945 1.000 0.846 CB 1.628 14 residues pruned to eliminate duplicates Z: 29 36.182 2.266 0.992 0.479 0.929 0.679 CB 1.667 29 residues pruned to eliminate duplicates Z: 29 39.919 2.354 0.922 0.545 0.964 0.714 CB 1.654 29 residues pruned to eliminate duplicates Z: 31 40.426 2.371 1.000 0.477 0.933 0.500 CB 1.707 33 residues pruned to eliminate duplicates Z: 44 35.890 2.229 0.959 0.536 0.860 0.488 CB 1.406 44 residues pruned to eliminate duplicates Z: 15 31.978 2.091 0.830 0.829 1.000 0.714 CA 1.680 15 residues pruned to eliminate duplicates Z: 21 25.856 2.379 0.897 0.370 0.850 0.450 CB 1.732 25 residues pruned to eliminate duplicates Z: 14 22.866 2.196 0.739 0.739 0.923 0.462 CA 1.452 14 residues pruned to eliminate duplicates Z: 11 31.108 2.251 1.096 0.877 1.000 0.900 CB 1.514 11 residues pruned to eliminate duplicates Z: 11 16.578 2.047 0.644 0.543 0.900 0.700 CB 1.659 11 residues pruned to eliminate duplicates Z: 16 24.692 2.027 0.502 0.926 1.000 0.733 CB 1.469 16 residues pruned to eliminate duplicates Z: 15 33.461 2.154 0.932 0.860 1.000 0.786 CB 1.579 15 residues pruned to eliminate duplicates Z: 13 26.872 2.211 0.913 0.760 1.000 0.333 CB 1.456 13 residues pruned to eliminate duplicates Z: 28 28.629 2.175 0.890 0.563 0.889 0.667 CB 1.418 28 residues pruned to eliminate duplicates Z: 20 40.585 2.200 0.867 0.909 1.000 0.842 CB 1.609 20 residues pruned to eliminate duplicates Z: 18 11.097 2.056 0.693 0.342 0.706 0.529 CB 1.300 18 residues pruned to eliminate duplicates Z: 36 42.520 2.269 0.928 0.601 0.914 0.686 CB 1.632 26 residues pruned to eliminate duplicates Z: 15 30.276 2.063 0.900 0.937 0.929 0.857 CB 1.547 15 residues pruned to eliminate duplicates Z: 23 24.180 2.254 1.179 0.470 0.773 0.500 CB 1.400 23 residues pruned to eliminate duplicates Z: 15 14.248 2.126 0.804 0.395 0.857 0.500 CB 1.294 15 residues pruned to eliminate duplicates Z: 51 34.579 2.102 0.885 0.581 0.880 0.560 CB 1.297 37 residues pruned to eliminate duplicates Z: 17 24.421 1.983 0.771 0.804 1.000 0.750 CB 1.333 17 residues pruned to eliminate duplicates Z: 10 28.141 2.317 0.758 0.925 1.000 1.000 CA 1.617 10 residues pruned to eliminate duplicates Z: 14 16.584 2.026 0.731 0.441 1.000 0.692 CB 1.393 Z: 20 20.433 2.066 0.938 0.467 0.842 0.526 CB 1.437 20 residues pruned to eliminate duplicates Z: 14 38.748 2.315 0.982 0.877 1.000 0.692 CA 1.701 14 residues pruned to eliminate duplicates Z: 12 33.255 2.273 1.139 0.822 1.000 0.818 CB 1.560 12 residues pruned to eliminate duplicates Z: 19 17.172 2.072 0.891 0.436 0.889 0.500 CB 1.241 19 residues pruned to eliminate duplicates Z: 23 14.975 2.057 0.763 0.480 0.773 0.545 CB 1.163 23 residues pruned to eliminate duplicates Z: 112 70.763 2.209 0.930 0.628 0.937 0.694 CB 1.490 112 residues pruned to eliminate duplicates Z: 13 29.060 2.280 0.814 0.883 0.917 0.750 CA 1.600 13 residues pruned to eliminate duplicates Z: 14 17.957 2.043 0.713 0.789 0.846 0.615 CB 1.305 14 residues pruned to eliminate duplicates Z: 25 24.246 2.177 0.983 0.442 0.833 0.458 CB 1.460 25 residues pruned to eliminate duplicates Z: 13 22.705 2.146 0.729 0.856 1.000 0.750 CB 1.302 13 residues pruned to eliminate duplicates Z: 20 55.792 2.431 0.999 0.929 1.000 0.842 CB 1.844 20 residues pruned to eliminate duplicates Z: 22 39.448 2.188 1.015 0.896 0.952 0.714 CB 1.469 22 residues pruned to eliminate duplicates Z: 13 12.436 2.253 0.864 0.303 0.750 0.333 CB 1.420 13 residues pruned to eliminate duplicates Z: 20 44.665 2.380 0.962 0.918 0.895 0.789 CA 1.730 20 residues pruned to eliminate duplicates Z: 20 36.209 2.273 1.227 0.545 0.947 0.526 CB 1.658 20 residues pruned to eliminate duplicates Z: 20 35.389 2.389 1.006 0.497 0.947 0.526 CB 1.793 20 residues pruned to eliminate duplicates Z: 17 35.053 2.134 0.989 0.816 1.000 0.625 CB 1.569 17 residues pruned to eliminate duplicates Z: 14 27.183 2.205 0.637 0.944 1.000 1.000 CB 1.446 14 residues pruned to eliminate duplicates Z: 33 34.745 2.257 0.937 0.454 0.906 0.562 CA 1.626 33 residues pruned to eliminate duplicates Z: 33 35.704 2.058 0.859 0.678 0.969 0.719 CB 1.446 33 residues pruned to eliminate duplicates Z: 36 39.803 2.101 0.773 0.854 0.943 0.714 CB 1.414 21 residues pruned to eliminate duplicates Z: 12 24.656 2.203 1.308 0.854 0.818 0.818 CB 1.320 12 residues pruned to eliminate duplicates Z: 16 26.965 2.080 1.096 0.803 0.867 0.733 CB 1.415 16 residues pruned to eliminate duplicates Z: 27 23.333 2.137 0.923 0.414 0.808 0.462 CB 1.508 27 residues pruned to eliminate duplicates Z: 28 24.461 2.024 0.864 0.493 0.889 0.630 CB 1.414 18 residues pruned to eliminate duplicates Z: 21 13.071 1.852 0.739 0.400 0.850 0.500 CB 1.186 35 residues pruned to eliminate duplicates Z: 21 21.485 1.981 0.662 0.522 1.000 0.700 CB 1.428 Z: 15 22.799 2.113 0.432 0.910 1.000 0.786 CB 1.428 15 residues pruned to eliminate duplicates Z: 83 61.594 2.195 1.144 0.585 0.902 0.598 CB 1.477 83 residues pruned to eliminate duplicates Z: 15 35.964 2.284 1.101 0.672 1.000 0.714 CB 1.709 15 residues pruned to eliminate duplicates Z: 27 25.007 2.079 0.878 0.515 0.885 0.654 CB 1.400 27 residues pruned to eliminate duplicates Z: 66 42.488 2.111 1.002 0.495 0.815 0.600 CB 1.536 66 residues pruned to eliminate duplicates Z: 15 31.760 2.235 0.942 0.823 0.929 0.714 CB 1.592 15 residues pruned to eliminate duplicates Z: 20 54.994 2.363 1.127 0.890 1.000 0.737 CB 1.806 20 residues pruned to eliminate duplicates Z: 9 12.887 2.161 0.565 0.750 0.750 0.375 CB 1.438 9 residues pruned to eliminate duplicates Z: 29 21.076 1.980 0.780 0.494 0.821 0.643 CB 1.384 29 residues pruned to eliminate duplicates Z: 14 26.426 2.055 1.002 0.834 1.000 0.615 CB 1.335 14 residues pruned to eliminate duplicates Z: 41 39.395 2.183 0.956 0.540 0.925 0.600 CB 1.516 57 residues pruned to eliminate duplicates Z: 16 31.527 2.033 0.859 0.954 1.000 0.867 CB 1.480 16 residues pruned to eliminate duplicates Z: 16 29.687 2.129 0.868 0.785 0.933 0.733 CB 1.607 16 residues pruned to eliminate duplicates Z: 6 4.936 1.678 0.258 0.415 1.000 0.600 CB 1.143 6 residues pruned to eliminate duplicates Z: 13 15.621 1.770 0.611 0.867 1.000 0.750 CB 1.157 13 residues pruned to eliminate duplicates Z: 29 21.917 2.095 0.794 0.455 0.821 0.464 CB 1.405 29 residues pruned to eliminate duplicates Z: 16 28.415 2.100 0.708 0.847 1.000 0.733 CB 1.519 16 residues pruned to eliminate duplicates Z: 13 30.669 2.172 1.255 0.834 0.917 0.750 CB 1.478 13 residues pruned to eliminate duplicates Z: 15 31.082 2.217 0.925 0.848 0.929 0.714 CB 1.555 15 residues pruned to eliminate duplicates Z: 17 29.742 1.949 0.992 0.924 1.000 0.750 CB 1.345 Z: 16 27.785 1.940 0.867 0.913 1.000 0.533 CB 1.401 16 residues pruned to eliminate duplicates Z: 30 42.997 2.233 1.083 0.589 0.966 0.793 CB 1.633 19 residues pruned to eliminate duplicates Z: 18 25.304 1.898 0.727 0.920 1.000 0.941 CB 1.319 17 residues pruned to eliminate duplicates Z: 9 12.760 2.163 0.485 0.712 0.875 0.625 CB 1.324 9 residues pruned to eliminate duplicates Z: 13 24.161 2.025 0.773 0.868 1.000 0.750 CA 1.419 13 residues pruned to eliminate duplicates Z: 57 36.997 2.098 1.010 0.560 0.857 0.571 CB 1.291 57 residues pruned to eliminate duplicates Z: 13 25.447 2.256 0.862 0.489 1.000 0.500 CB 1.767 13 residues pruned to eliminate duplicates Z: 59 45.687 2.150 0.992 0.598 0.948 0.621 CB 1.345 59 residues pruned to eliminate duplicates Z: 11 15.965 2.007 0.652 0.836 0.800 0.500 CB 1.425 11 residues pruned to eliminate duplicates Z: 16 33.710 2.158 0.928 0.787 1.000 0.333 CB 1.625 16 residues pruned to eliminate duplicates Z: 31 39.487 2.332 1.015 0.543 0.933 0.633 CB 1.576 31 residues pruned to eliminate duplicates Z: 18 29.575 1.946 0.736 0.940 1.000 0.941 CB 1.475 18 residues pruned to eliminate duplicates Z: 36 34.858 2.046 0.802 0.829 0.914 0.743 CB 1.316 36 residues pruned to eliminate duplicates Z: 11 15.313 1.900 0.559 0.895 0.900 0.800 CB 1.302 11 residues pruned to eliminate duplicates Z: 45 45.251 2.310 1.139 0.504 0.909 0.523 CB 1.512 45 residues pruned to eliminate duplicates Z: 38 45.774 2.256 0.681 0.878 0.919 0.757 CB 1.567 38 residues pruned to eliminate duplicates Z: 32 17.287 2.026 0.490 0.413 0.806 0.452 CB 1.397 32 residues pruned to eliminate duplicates Z: 11 26.702 2.151 1.022 0.895 0.900 0.700 CB 1.546 11 residues pruned to eliminate duplicates Z: 24 46.365 2.354 0.965 0.863 0.913 0.696 CB 1.679 24 residues pruned to eliminate duplicates Z: 97 53.737 2.181 1.063 0.527 0.865 0.552 CB 1.373 97 residues pruned to eliminate duplicates Z: 22 17.376 2.081 0.555 0.449 0.857 0.476 CB 1.441 22 residues pruned to eliminate duplicates Z: 99 52.981 2.111 0.925 0.574 0.918 0.612 CB 1.336 99 residues pruned to eliminate duplicates Z: 29 19.431 2.011 0.718 0.435 0.857 0.536 CB 1.326 29 residues pruned to eliminate duplicates Z: 33 34.584 2.256 0.762 0.524 0.906 0.438 CB 1.658 33 residues pruned to eliminate duplicates Z: 37 41.973 2.227 0.850 0.596 0.944 0.694 CB 1.640 37 residues pruned to eliminate duplicates Z: 17 29.251 2.224 1.077 0.570 0.938 0.688 CB 1.578 17 residues pruned to eliminate duplicates Z: 21 17.674 1.942 0.793 0.457 0.850 0.450 CB 1.395 19 residues pruned to eliminate duplicates Z: 15 46.209 2.402 1.191 0.894 1.000 0.929 CB 1.683 15 residues pruned to eliminate duplicates Z: 21 50.823 2.278 1.190 0.921 1.000 0.950 CA 1.603 21 residues pruned to eliminate duplicates Z: 9 11.792 1.899 0.594 0.628 0.875 0.625 N 1.396 Z: 33 38.516 2.231 1.060 0.515 0.906 0.719 CB 1.611 34 residues pruned to eliminate duplicates Z: 28 21.762 2.198 0.966 0.404 0.815 0.519 CB 1.315 28 residues pruned to eliminate duplicates Z: 14 28.361 2.207 0.920 0.934 0.923 0.692 CB 1.402 14 residues pruned to eliminate duplicates Z: 27 35.163 2.266 1.095 0.617 0.885 0.654 CB 1.470 27 residues pruned to eliminate duplicates Z: 10 24.362 2.260 0.701 0.902 0.889 0.778 CA 1.694 10 residues pruned to eliminate duplicates Z: 14 19.542 2.078 0.717 0.799 0.846 0.692 CB 1.382 14 residues pruned to eliminate duplicates Z: 12 27.905 2.261 0.629 0.879 1.000 1.000 CB 1.657 12 residues pruned to eliminate duplicates Z: 51 38.180 2.136 1.004 0.583 0.900 0.600 CB 1.294 51 residues pruned to eliminate duplicates Z: 8 10.131 1.756 0.380 0.863 1.000 0.571 CB 1.160 8 residues pruned to eliminate duplicates Z: 40 42.344 2.224 1.055 0.581 0.897 0.667 CB 1.529 40 residues pruned to eliminate duplicates Z: 28 48.883 2.329 1.028 0.678 0.963 0.704 CB 1.755 28 residues pruned to eliminate duplicates Z: 16 40.811 2.235 1.132 0.821 1.000 0.733 CB 1.674 16 residues pruned to eliminate duplicates Z: 36 35.298 2.137 0.958 0.665 0.886 0.743 CB 1.382 36 residues pruned to eliminate duplicates Z: 16 23.326 1.970 0.443 0.911 1.000 0.800 CB 1.501 16 residues pruned to eliminate duplicates Z: 20 36.100 2.252 0.879 0.879 0.895 0.737 CB 1.586 20 residues pruned to eliminate duplicates Z: 27 23.096 2.194 0.776 0.466 0.885 0.500 CB 1.361 26 residues pruned to eliminate duplicates Z: 25 34.601 2.235 0.969 0.659 0.875 0.792 CB 1.582 25 residues pruned to eliminate duplicates Z: 88 53.367 2.199 0.833 0.570 0.897 0.552 CB 1.480 88 residues pruned to eliminate duplicates Z: 92 52.352 2.167 1.015 0.529 0.879 0.516 CB 1.389 92 residues pruned to eliminate duplicates Z: 37 32.359 2.073 0.733 0.632 0.917 0.722 CB 1.447 37 residues pruned to eliminate duplicates Z: 13 25.372 2.028 1.052 0.915 0.917 0.917 CB 1.357 13 residues pruned to eliminate duplicates Z: 15 25.776 2.247 0.723 0.842 0.929 0.857 CB 1.428 15 residues pruned to eliminate duplicates Z: 27 29.101 2.227 0.977 0.415 0.923 0.423 CB 1.535 27 residues pruned to eliminate duplicates Z: 68 44.492 2.129 0.896 0.572 0.910 0.657 CB 1.380 59 residues pruned to eliminate duplicates Z: 17 31.346 1.946 0.938 0.943 1.000 0.938 CB 1.440 16 residues pruned to eliminate duplicates Z: 10 38.967 2.404 1.148 0.917 1.000 0.778 CA 1.775 10 residues pruned to eliminate duplicates Z: 28 16.730 1.967 0.567 0.557 0.852 0.519 CB 1.160 9 residues pruned to eliminate duplicates Z: 31 22.657 2.149 0.643 0.550 0.900 0.533 CB 1.240 31 residues pruned to eliminate duplicates Z: 19 44.500 2.258 1.066 0.943 1.000 0.833 CB 1.558 19 residues pruned to eliminate duplicates Z: 16 27.604 2.028 0.624 0.949 1.000 1.000 CB 1.494 16 residues pruned to eliminate duplicates Z: 16 24.247 1.973 0.881 0.917 1.000 0.733 CB 1.190 16 residues pruned to eliminate duplicates Z: 24 39.824 2.314 1.125 0.584 0.957 0.739 CB 1.629 24 residues pruned to eliminate duplicates Z: 36 35.197 2.099 0.659 0.852 0.943 0.686 CB 1.340 36 residues pruned to eliminate duplicates Z: 39 37.650 2.235 0.995 0.524 0.895 0.632 CB 1.495 39 residues pruned to eliminate duplicates Z: 10 18.725 2.247 0.368 0.906 0.889 0.889 CA 1.625 10 residues pruned to eliminate duplicates Z: 16 14.288 1.814 0.809 0.460 0.933 0.733 CB 1.255 Z: 19 19.662 2.327 0.888 0.328 0.778 0.389 CB 1.638 19 residues pruned to eliminate duplicates Z: 17 25.225 1.959 0.608 0.922 1.000 0.812 CB 1.408 17 residues pruned to eliminate duplicates Z: 14 10.682 1.881 0.315 0.374 1.000 0.692 CB 1.371 Z: 27 22.125 1.857 0.741 0.669 0.885 0.577 CB 1.298 27 residues pruned to eliminate duplicates Z: 18 36.382 1.996 1.123 0.933 1.000 0.647 CB 1.453 18 residues pruned to eliminate duplicates Z: 18 22.785 1.987 0.865 0.782 0.941 0.706 CB 1.237 18 residues pruned to eliminate duplicates Z: 18 21.433 1.932 0.759 0.813 0.882 0.706 CB 1.321 18 residues pruned to eliminate duplicates Z: 35 31.357 2.100 0.594 0.850 0.882 0.706 CB 1.348 35 residues pruned to eliminate duplicates Z: 75 49.470 2.155 1.098 0.555 0.878 0.649 CB 1.373 75 residues pruned to eliminate duplicates Z: 18 29.930 1.943 0.811 0.926 1.000 0.941 CA 1.447 18 residues pruned to eliminate duplicates Z: 74 48.534 2.183 1.001 0.579 0.849 0.589 CB 1.418 74 residues pruned to eliminate duplicates Z: 14 28.097 2.224 0.674 0.932 1.000 1.000 CB 1.462 14 residues pruned to eliminate duplicates Z: 38 55.525 2.308 0.873 0.863 0.973 0.730 CB 1.592 38 residues pruned to eliminate duplicates Z: 17 35.940 2.070 1.026 0.945 1.000 0.812 CB 1.483 17 residues pruned to eliminate duplicates Z: 16 52.830 2.316 1.584 0.904 1.000 0.600 CB 1.623 15 residues pruned to eliminate duplicates Z: 15 44.346 2.418 1.090 0.878 1.000 0.929 CB 1.702 15 residues pruned to eliminate duplicates Z: 16 27.004 2.022 0.602 0.926 1.000 0.867 CB 1.509 16 residues pruned to eliminate duplicates Z: 19 41.981 2.250 1.139 0.911 0.944 0.667 CB 1.542 19 residues pruned to eliminate duplicates Z: 16 21.946 1.998 0.722 0.862 0.933 0.867 CB 1.295 16 residues pruned to eliminate duplicates Z: 55 40.354 2.205 0.746 0.609 0.944 0.630 CB 1.362 55 residues pruned to eliminate duplicates Z: 24 26.708 2.168 0.931 0.493 0.870 0.435 CB 1.541 24 residues pruned to eliminate duplicates Z: 20 32.719 2.323 1.118 0.513 0.895 0.579 CA 1.684 20 residues pruned to eliminate duplicates Z: 47 56.416 2.304 0.902 0.735 1.000 0.783 CB 1.536 47 residues pruned to eliminate duplicates Z: 42 27.637 2.039 0.728 0.583 0.829 0.659 CB 1.364 42 residues pruned to eliminate duplicates Z: 9 13.332 2.098 0.667 0.709 0.875 0.625 CB 1.274 9 residues pruned to eliminate duplicates Z: 68 55.539 2.202 1.091 0.590 0.896 0.597 CB 1.510 76 residues pruned to eliminate duplicates Z: 11 13.791 2.070 0.505 0.925 1.000 1.000 CB 0.982 11 residues pruned to eliminate duplicates Z: 83 44.123 2.089 0.774 0.580 0.902 0.610 CB 1.349 104 residues pruned to eliminate duplicates Z: 9 12.802 2.020 1.017 0.591 0.750 0.750 CB 1.358 9 residues pruned to eliminate duplicates Z: 15 28.157 2.068 1.078 0.933 1.000 0.857 CB 1.221 15 residues pruned to eliminate duplicates Z: 13 16.232 1.889 0.707 0.510 1.000 0.667 CB 1.439 13 residues pruned to eliminate duplicates Z: 17 34.828 2.062 1.122 0.923 1.000 0.562 CB 1.399 17 residues pruned to eliminate duplicates Z: 31 33.076 2.198 1.036 0.421 0.967 0.500 CB 1.515 32 residues pruned to eliminate duplicates Z: 57 52.964 2.155 1.217 0.636 0.911 0.625 CB 1.432 57 residues pruned to eliminate duplicates Z: 11 16.331 2.123 0.820 0.480 1.000 0.700 CB 1.364 11 residues pruned to eliminate duplicates Z: 16 24.352 2.228 1.075 0.492 0.933 0.467 CB 1.470 Z: 15 52.003 2.335 1.565 0.904 1.000 0.786 CA 1.653 15 residues pruned to eliminate duplicates Z: 14 41.712 2.377 1.015 0.945 1.000 0.923 CB 1.671 14 residues pruned to eliminate duplicates Z: 75 49.877 2.187 0.944 0.579 0.905 0.635 CB 1.396 75 residues pruned to eliminate duplicates Z: 30 42.197 2.289 1.009 0.631 0.966 0.690 CB 1.560 30 residues pruned to eliminate duplicates Z: 6 6.990 1.911 0.004 0.765 1.000 0.400 CA 1.288 6 residues pruned to eliminate duplicates Z: 20 22.960 2.160 1.202 0.498 0.895 0.632 CB 1.239 20 residues pruned to eliminate duplicates Z: 17 24.488 2.296 0.881 0.428 0.875 0.375 CA 1.745 17 residues pruned to eliminate duplicates Z: 31 31.759 2.160 1.058 0.584 0.867 0.633 CB 1.389 31 residues pruned to eliminate duplicates Z: 18 21.177 1.884 0.491 0.903 1.000 0.706 CB 1.303 18 residues pruned to eliminate duplicates Z: 16 21.345 2.024 0.643 0.921 0.867 0.867 CB 1.346 16 residues pruned to eliminate duplicates Z: 17 15.975 2.132 0.738 0.418 0.812 0.625 CB 1.445 17 residues pruned to eliminate duplicates Z: 35 26.693 2.145 0.862 0.426 0.853 0.412 CB 1.451 35 residues pruned to eliminate duplicates Z: 17 19.406 1.921 0.389 0.906 1.000 0.875 CB 1.294 17 residues pruned to eliminate duplicates Z: 16 32.685 2.231 0.938 0.830 1.000 0.733 CB 1.468 16 residues pruned to eliminate duplicates Z: 19 22.988 2.055 0.582 0.877 0.944 0.778 CB 1.282 19 residues pruned to eliminate duplicates Z: 17 28.968 1.946 1.006 0.927 0.938 0.875 CB 1.386 17 residues pruned to eliminate duplicates Z: 6 7.552 1.817 0.513 0.576 1.000 0.800 CB 1.143 Z: 14 21.261 2.009 1.058 0.479 0.923 0.692 CB 1.578 14 residues pruned to eliminate duplicates Z: 12 21.585 2.052 1.384 0.577 0.818 0.636 CB 1.509 12 residues pruned to eliminate duplicates Z: 15 41.292 2.290 0.979 0.916 1.000 0.786 CA 1.720 15 residues pruned to eliminate duplicates Z: 38 51.674 2.314 0.844 0.866 0.919 0.811 CB 1.586 38 residues pruned to eliminate duplicates Z: 36 34.918 2.080 0.745 0.697 0.971 0.714 CB 1.398 36 residues pruned to eliminate duplicates Z: 7 8.729 1.907 0.602 0.416 0.833 0.833 C 1.528 7 residues pruned to eliminate duplicates Z: 10 9.536 1.810 0.748 0.733 0.667 0.556 CB 1.223 10 residues pruned to eliminate duplicates Z: 25 45.309 2.331 1.013 0.696 0.958 0.750 CB 1.719 25 residues pruned to eliminate duplicates Z: 17 31.615 2.022 0.801 0.932 1.000 0.812 CB 1.516 17 residues pruned to eliminate duplicates Z: 17 21.889 1.927 0.570 0.929 0.938 0.688 CB 1.350 17 residues pruned to eliminate duplicates Z: 16 23.276 2.003 0.832 0.770 0.933 0.667 CA 1.382 16 residues pruned to eliminate duplicates Z: 19 22.854 1.928 0.888 0.584 1.000 0.833 CB 1.366 16 residues pruned to eliminate duplicates Z: 21 42.991 2.244 1.002 0.921 0.950 0.650 CB 1.585 21 residues pruned to eliminate duplicates Z: 87 46.245 2.145 0.880 0.539 0.849 0.581 CB 1.402 87 residues pruned to eliminate duplicates Z: 21 20.513 1.965 0.608 0.537 1.000 0.600 CB 1.400 21 residues pruned to eliminate duplicates Z: 12 19.767 2.171 1.035 0.448 0.818 0.636 CB 1.739 12 residues pruned to eliminate duplicates Z: 17 30.048 2.006 0.969 0.943 0.938 0.812 CB 1.405 17 residues pruned to eliminate duplicates Z: 16 16.188 1.911 0.654 0.850 0.933 0.733 CB 1.050 16 residues pruned to eliminate duplicates Z: 7 14.787 1.850 0.718 0.851 1.000 0.667 CA 1.406 8 residues pruned to eliminate duplicates Z: 27 34.158 2.174 1.181 0.595 0.885 0.500 CB 1.459 27 residues pruned to eliminate duplicates Z: 17 24.631 1.905 0.608 0.947 1.000 0.938 CB 1.389 17 residues pruned to eliminate duplicates Z: 15 21.193 2.083 0.388 0.947 1.000 1.000 CB 1.353 15 residues pruned to eliminate duplicates Z: 13 13.330 1.989 0.605 0.440 0.917 0.750 CB 1.398 13 residues pruned to eliminate duplicates Z: 12 29.593 2.258 1.031 0.826 1.000 0.636 CB 1.467 12 residues pruned to eliminate duplicates Z: 9 11.347 2.011 1.140 0.539 0.750 0.625 CB 1.196 9 residues pruned to eliminate duplicates Z: 19 17.913 2.037 0.578 0.524 0.889 0.556 CB 1.443 19 residues pruned to eliminate duplicates Z: 14 20.626 2.241 1.081 0.539 0.846 0.538 CB 1.395 14 residues pruned to eliminate duplicates Z: 99 61.169 2.217 0.866 0.606 0.949 0.735 CB 1.424 90 residues pruned to eliminate duplicates Z: 15 21.923 2.040 0.749 0.913 1.000 0.643 CB 1.162 15 residues pruned to eliminate duplicates Z: 12 10.817 1.975 0.740 0.903 0.909 0.545 CB 0.744 12 residues pruned to eliminate duplicates Z: 17 21.353 2.045 0.563 0.853 1.000 0.750 CB 1.234 17 residues pruned to eliminate duplicates Z: 17 26.813 1.976 0.761 0.917 1.000 0.625 CB 1.360 17 residues pruned to eliminate duplicates Z: 7 14.085 1.836 0.664 0.860 1.000 0.667 CA 1.385 7 residues pruned to eliminate duplicates Z: 110 51.044 2.094 0.885 0.535 0.908 0.532 CB 1.318 110 residues pruned to eliminate duplicates Z: 97 59.198 2.183 1.010 0.555 0.906 0.531 CB 1.440 97 residues pruned to eliminate duplicates Z: 17 27.910 1.995 0.629 0.931 1.000 0.938 CB 1.501 17 residues pruned to eliminate duplicates Z: 17 26.834 2.011 0.910 0.797 0.938 0.562 CB 1.436 17 residues pruned to eliminate duplicates Z: 10 18.346 2.329 0.609 0.836 0.889 0.556 CA 1.375 10 residues pruned to eliminate duplicates Z: 9 3.497 1.859 0.210 0.260 0.625 0.500 CB 1.156 Z: 18 24.710 1.896 0.814 0.916 0.941 0.824 CB 1.307 18 residues pruned to eliminate duplicates Z: 47 48.814 2.262 0.836 0.684 0.957 0.696 CB 1.530 47 residues pruned to eliminate duplicates Z: 13 23.327 2.111 1.201 0.786 0.833 0.667 CB 1.353 13 residues pruned to eliminate duplicates Z: 22 20.732 1.941 0.934 0.403 1.000 0.524 CB 1.334 22 residues pruned to eliminate duplicates Z: 10 18.700 2.066 0.656 0.796 0.889 0.667 CB 1.582 10 residues pruned to eliminate duplicates Z: 16 43.890 2.316 1.067 0.908 1.000 0.933 CA 1.682 16 residues pruned to eliminate duplicates Z: 19 28.987 1.941 0.762 0.874 1.000 0.889 CB 1.454 19 residues pruned to eliminate duplicates Z: 9 8.369 1.696 0.402 0.532 1.000 0.500 CB 1.206 6 residues pruned to eliminate duplicates Z: 16 30.514 2.153 0.770 0.826 1.000 0.600 CB 1.558 16 residues pruned to eliminate duplicates Z: 49 53.009 2.295 0.837 0.693 1.000 0.708 CB 1.522 49 residues pruned to eliminate duplicates Z: 40 32.218 2.054 0.930 0.603 0.872 0.692 CB 1.353 40 residues pruned to eliminate duplicates Z: 10 16.526 2.133 0.587 0.875 0.889 0.667 CB 1.331 10 residues pruned to eliminate duplicates Z: 14 28.836 2.231 0.892 0.867 0.923 0.769 CB 1.501 14 residues pruned to eliminate duplicates Z: 22 43.060 2.222 1.079 0.866 0.905 0.810 CB 1.645 22 residues pruned to eliminate duplicates Z: 21 22.092 2.155 0.972 0.433 0.850 0.350 CB 1.466 21 residues pruned to eliminate duplicates Z: 21 34.884 2.174 0.904 0.913 0.950 0.750 CB 1.404 21 residues pruned to eliminate duplicates Z: 16 22.200 2.036 0.486 0.926 0.933 0.733 CB 1.423 16 residues pruned to eliminate duplicates Z: 7 6.552 1.848 0.559 0.716 0.667 0.500 CB 1.145 7 residues pruned to eliminate duplicates Z: 15 14.302 1.771 0.424 0.941 1.000 0.857 CB 1.051 Z: 16 11.681 1.882 0.310 0.846 0.867 0.800 CB 1.048 16 residues pruned to eliminate duplicates Z: 13 5.677 1.834 0.392 0.275 0.583 0.417 CA 1.420 13 residues pruned to eliminate duplicates Z: 17 32.599 2.024 0.925 0.846 1.000 0.625 CB 1.555 17 residues pruned to eliminate duplicates Z: 11 15.891 2.064 0.965 0.898 0.900 0.800 CB 0.985 11 residues pruned to eliminate duplicates Z: 15 25.126 2.051 0.672 0.915 1.000 0.786 CB 1.384 15 residues pruned to eliminate duplicates Z: 72 53.312 2.207 0.996 0.604 0.915 0.592 CB 1.421 72 residues pruned to eliminate duplicates Z: 8 5.414 1.703 0.161 0.476 0.857 0.571 N 1.238 Z: 15 16.360 1.781 0.585 0.942 1.000 0.929 CB 1.074 15 residues pruned to eliminate duplicates Z: 13 5.010 1.790 0.167 0.516 0.667 0.500 CB 1.023 Z: 40 35.888 2.016 0.998 0.611 0.923 0.641 CB 1.390 58 residues pruned to eliminate duplicates Z: 11 12.459 1.756 0.874 0.659 0.800 0.600 CB 1.292 11 residues pruned to eliminate duplicates Z: 24 25.828 2.214 1.063 0.312 0.870 0.565 CB 1.671 24 residues pruned to eliminate duplicates Z: 17 28.421 1.981 0.864 0.901 1.000 0.750 CB 1.373 Z: 9 5.899 1.858 0.152 0.441 0.875 0.500 CB 1.183 11 residues pruned to eliminate duplicates Z: 20 19.622 2.125 0.885 0.391 0.895 0.579 CB 1.409 20 residues pruned to eliminate duplicates Z: 15 31.833 2.210 0.844 0.924 1.000 0.929 CB 1.466 15 residues pruned to eliminate duplicates Z: 19 23.492 2.158 0.915 0.438 0.944 0.611 CA 1.513 19 residues pruned to eliminate duplicates Z: 26 30.104 2.264 0.954 0.400 0.880 0.560 CB 1.718 26 residues pruned to eliminate duplicates Z: 30 38.121 2.215 0.892 0.619 0.931 0.655 CB 1.621 30 residues pruned to eliminate duplicates Z: 10 14.237 2.001 0.418 0.888 1.000 0.667 CB 1.204 10 residues pruned to eliminate duplicates Z: 7 13.833 2.055 0.602 0.855 1.000 0.667 CA 1.266 7 residues pruned to eliminate duplicates Z: 17 31.323 1.962 0.916 0.952 1.000 1.000 CB 1.434 17 residues pruned to eliminate duplicates Z: 29 38.191 2.322 1.089 0.545 0.857 0.643 CB 1.660 29 residues pruned to eliminate duplicates Z: 13 23.671 1.983 0.919 0.874 1.000 0.750 CA 1.307 13 residues pruned to eliminate duplicates Z: 17 29.695 2.067 0.699 0.946 1.000 0.875 CB 1.462 17 residues pruned to eliminate duplicates Z: 49 53.029 2.294 0.950 0.649 0.958 0.604 CB 1.554 49 residues pruned to eliminate duplicates Z: 15 10.168 1.772 0.486 0.524 0.857 0.571 CB 1.176 15 residues pruned to eliminate duplicates Z: 76 49.199 2.185 0.895 0.591 0.893 0.587 CB 1.407 76 residues pruned to eliminate duplicates Z: 64 48.584 2.172 1.057 0.576 0.905 0.603 CB 1.407 64 residues pruned to eliminate duplicates Z: 6 4.928 2.067 -0.075 0.178 1.000 0.600 C 1.701 8 residues pruned to eliminate duplicates Z: 41 35.043 2.278 1.054 0.394 0.850 0.500 CB 1.559 41 residues pruned to eliminate duplicates Z: 16 23.885 2.109 0.724 0.834 1.000 0.667 CB 1.271 16 residues pruned to eliminate duplicates Z: 22 15.882 1.814 0.722 0.482 0.857 0.524 CB 1.319 22 residues pruned to eliminate duplicates Z: 11 42.897 2.506 1.326 0.795 1.000 0.900 CA 1.796 11 residues pruned to eliminate duplicates Z: 13 30.141 2.302 0.820 0.842 1.000 0.750 CB 1.548 13 residues pruned to eliminate duplicates Z: 15 14.613 1.793 0.972 0.465 0.857 0.500 CB 1.335 15 residues pruned to eliminate duplicates Z: 42 44.809 2.224 1.032 0.557 0.927 0.634 CB 1.580 42 residues pruned to eliminate duplicates Z: 16 30.898 2.127 0.933 0.856 1.000 0.533 CB 1.431 16 residues pruned to eliminate duplicates Z: 18 29.724 1.996 0.673 0.938 1.000 1.000 CA 1.502 18 residues pruned to eliminate duplicates Z: 23 20.647 2.187 0.799 0.375 0.773 0.409 CB 1.653 23 residues pruned to eliminate duplicates Z: 15 17.282 2.041 0.826 0.462 0.786 0.643 CB 1.639 15 residues pruned to eliminate duplicates Z: 31 39.220 2.320 0.957 0.562 0.933 0.767 CB 1.591 31 residues pruned to eliminate duplicates Z: 8 6.035 2.091 0.267 0.202 0.857 0.571 CB 1.431 8 residues pruned to eliminate duplicates Z: 56 39.432 2.134 0.844 0.577 0.909 0.673 CB 1.380 56 residues pruned to eliminate duplicates Z: 9 3.977 1.623 0.216 0.506 0.875 0.625 CB 0.810 8 residues pruned to eliminate duplicates Z: 43 31.225 2.078 0.706 0.697 0.857 0.548 CB 1.324 43 residues pruned to eliminate duplicates Z: 15 25.616 2.000 0.736 0.937 1.000 0.571 CB 1.372 15 residues pruned to eliminate duplicates Z: 13 11.405 1.850 0.546 0.864 1.000 0.667 CB 0.844 13 residues pruned to eliminate duplicates Z: 12 7.488 2.002 0.539 0.413 0.727 0.545 CB 1.104 12 residues pruned to eliminate duplicates Z: 60 38.841 2.021 0.875 0.624 0.932 0.678 CB 1.274 62 residues pruned to eliminate duplicates Z: 23 28.419 2.004 1.102 0.766 0.909 0.500 CB 1.250 23 residues pruned to eliminate duplicates Z: 28 35.319 2.374 0.938 0.476 0.926 0.630 CB 1.635 28 residues pruned to eliminate duplicates Z: 23 24.953 2.196 0.953 0.443 0.864 0.409 CB 1.523 23 residues pruned to eliminate duplicates Z: 16 22.237 2.030 0.577 0.813 0.933 0.667 CB 1.463 16 residues pruned to eliminate duplicates Z: 14 31.623 2.231 0.931 0.838 1.000 0.615 CB 1.521 14 residues pruned to eliminate duplicates Z: 13 11.182 1.837 0.220 0.901 1.000 0.833 CB 1.028 13 residues pruned to eliminate duplicates Z: 28 37.364 2.283 1.053 0.524 0.889 0.704 CB 1.686 28 residues pruned to eliminate duplicates Z: 33 27.691 2.081 0.875 0.492 0.844 0.719 CB 1.499 33 residues pruned to eliminate duplicates Z: 77 42.744 2.113 0.617 0.621 0.921 0.645 CB 1.389 77 residues pruned to eliminate duplicates Z: 115 54.765 2.107 0.746 0.626 0.930 0.640 CB 1.331 112 residues pruned to eliminate duplicates Z: 8 9.626 1.732 0.368 0.883 1.000 0.857 CB 1.110 7 residues pruned to eliminate duplicates Z: 18 12.793 1.851 0.474 0.773 0.824 0.706 CB 1.085 18 residues pruned to eliminate duplicates Z: 15 29.351 1.971 0.955 0.941 1.000 0.429 CB 1.412 16 residues pruned to eliminate duplicates Z: 10 21.626 2.426 0.712 0.861 0.778 0.556 CA 1.640 10 residues pruned to eliminate duplicates Z: 74 48.122 2.177 0.906 0.586 0.904 0.589 CB 1.383 74 residues pruned to eliminate duplicates Z: 57 50.804 2.282 0.774 0.619 0.982 0.696 CB 1.527 57 residues pruned to eliminate duplicates Z: 39 32.798 2.100 0.965 0.631 0.868 0.711 CB 1.313 39 residues pruned to eliminate duplicates Z: 37 45.274 2.204 0.943 0.830 0.889 0.556 CB 1.490 37 residues pruned to eliminate duplicates Z: 14 22.591 2.091 0.760 0.602 1.000 0.769 CB 1.546 14 residues pruned to eliminate duplicates Z: 17 29.059 2.030 1.008 0.793 0.938 0.625 CA 1.471 17 residues pruned to eliminate duplicates Z: 6 8.032 1.518 0.781 0.686 1.000 0.800 C 1.121 Z: 25 27.495 2.357 0.747 0.433 0.917 0.417 CB 1.593 25 residues pruned to eliminate duplicates Z: 11 4.308 1.740 0.163 0.407 0.700 0.400 CB 1.060 Z: 6 5.132 1.739 0.417 0.773 0.600 0.600 CB 1.219 6 residues pruned to eliminate duplicates Z: 28 44.841 2.253 1.198 0.618 0.926 0.704 CB 1.683 28 residues pruned to eliminate duplicates Z: 7 4.685 1.400 0.870 0.468 0.667 0.667 C 1.133 Z: 61 65.166 2.312 1.119 0.610 0.950 0.750 CB 1.628 58 residues pruned to eliminate duplicates Z: 96 62.193 2.195 1.096 0.564 0.916 0.611 CB 1.423 94 residues pruned to eliminate duplicates Z: 6 8.055 1.718 0.803 0.657 0.800 0.800 CA 1.257 6 residues pruned to eliminate duplicates Z: 20 16.154 2.121 0.826 0.443 0.842 0.526 CB 1.205 20 residues pruned to eliminate duplicates Z: 13 26.634 2.388 0.463 0.910 1.000 0.917 CB 1.561 13 residues pruned to eliminate duplicates Z: 15 28.165 2.207 0.679 0.828 1.000 0.786 CB 1.529 15 residues pruned to eliminate duplicates Z: 15 24.704 2.008 0.883 0.932 1.000 0.929 CB 1.219 15 residues pruned to eliminate duplicates Z: 21 22.114 1.975 0.830 0.492 1.000 0.650 CB 1.379 21 residues pruned to eliminate duplicates Z: 33 34.168 2.102 0.927 0.663 0.906 0.688 CB 1.414 50 residues pruned to eliminate duplicates Z: 9 8.966 1.935 0.741 0.603 0.750 0.750 CB 1.137 9 residues pruned to eliminate duplicates Z: 38 22.772 2.043 0.935 0.318 0.865 0.514 CB 1.339 38 residues pruned to eliminate duplicates Z: 102 58.767 2.168 1.001 0.549 0.911 0.564 CB 1.411 102 residues pruned to eliminate duplicates Z: 9 8.873 1.916 0.954 0.308 0.750 0.375 CB 1.383 9 residues pruned to eliminate duplicates Z: 14 29.730 2.256 0.855 0.878 0.923 0.846 CA 1.549 14 residues pruned to eliminate duplicates Z: 17 30.010 2.004 0.834 0.916 1.000 0.562 CB 1.441 17 residues pruned to eliminate duplicates Z: 14 21.556 2.094 0.822 0.598 1.000 0.615 CB 1.426 14 residues pruned to eliminate duplicates Z: 17 28.275 2.126 0.837 0.849 0.938 0.812 CB 1.432 17 residues pruned to eliminate duplicates Z: 13 26.054 2.013 0.913 0.885 1.000 0.750 CA 1.410 13 residues pruned to eliminate duplicates Z: 16 30.937 2.263 1.092 0.639 0.933 0.467 CB 1.587 16 residues pruned to eliminate duplicates Z: 7 11.156 1.900 1.051 0.533 0.833 0.500 N 1.357 7 residues pruned to eliminate duplicates Z: 18 29.623 1.925 1.039 0.916 1.000 0.588 CB 1.293 Z: 47 34.527 2.140 0.913 0.572 0.870 0.696 CB 1.334 47 residues pruned to eliminate duplicates Z: 30 37.502 2.218 0.913 0.584 0.966 0.724 CB 1.569 30 residues pruned to eliminate duplicates Z: 126 54.699 2.049 0.851 0.539 0.904 0.608 CB 1.374 126 residues pruned to eliminate duplicates Z: 8 8.876 1.915 0.490 0.553 0.857 0.714 CB 1.303 8 residues pruned to eliminate duplicates Z: 6 7.472 1.563 0.873 0.473 1.000 0.800 N 1.174 7 residues pruned to eliminate duplicates Z: 12 14.817 1.916 0.502 0.907 1.000 0.909 CB 1.103 12 residues pruned to eliminate duplicates Z: 59 41.992 2.200 0.632 0.603 0.966 0.603 CB 1.442 59 residues pruned to eliminate duplicates Z: 14 22.621 2.136 0.878 0.457 1.000 0.846 CB 1.634 14 residues pruned to eliminate duplicates Z: 18 10.480 1.921 0.454 0.420 0.882 0.412 CB 1.122 18 residues pruned to eliminate duplicates Z: 14 13.630 1.844 0.348 0.936 1.000 0.923 CB 1.059 14 residues pruned to eliminate duplicates Z: 14 23.813 1.988 0.610 0.930 1.000 0.923 CA 1.443 14 residues pruned to eliminate duplicates Z: 15 30.538 2.211 0.794 0.925 1.000 1.000 CB 1.444 15 residues pruned to eliminate duplicates Z: 24 25.164 2.204 0.844 0.495 0.826 0.348 CB 1.570 24 residues pruned to eliminate duplicates Z: 6 4.966 2.008 0.061 0.555 0.600 0.600 N 1.648 6 residues pruned to eliminate duplicates Z: 41 33.980 2.158 1.023 0.493 0.875 0.475 CB 1.416 41 residues pruned to eliminate duplicates Z: 18 35.790 2.251 0.853 0.872 0.882 0.588 CB 1.719 18 residues pruned to eliminate duplicates Z: 13 13.104 2.241 0.745 0.337 0.833 0.333 CB 1.387 13 residues pruned to eliminate duplicates Z: 7 12.639 2.067 1.121 0.677 0.833 0.833 CB 1.200 7 residues pruned to eliminate duplicates Z: 13 16.953 2.098 0.535 0.838 0.833 0.667 CB 1.363 13 residues pruned to eliminate duplicates Z: 8 22.175 1.991 1.405 0.902 1.000 0.714 CA 1.248 8 residues pruned to eliminate duplicates Z: 15 28.418 2.285 0.392 0.928 1.000 0.929 CB 1.672 15 residues pruned to eliminate duplicates Z: 10 5.251 1.636 0.071 0.522 0.889 0.556 CB 1.100 Z: 18 23.544 2.194 0.949 0.406 0.882 0.471 CB 1.670 18 residues pruned to eliminate duplicates Z: 6 9.363 1.976 0.816 0.495 0.800 0.600 CA 1.466 6 residues pruned to eliminate duplicates Z: 15 22.412 2.103 0.490 0.915 1.000 0.714 CB 1.350 15 residues pruned to eliminate duplicates Z: 12 12.778 2.130 0.920 0.407 0.727 0.636 CA 1.429 12 residues pruned to eliminate duplicates Z: 70 29.347 2.017 0.607 0.535 0.812 0.536 CB 1.297 70 residues pruned to eliminate duplicates Z: 27 16.100 1.825 0.577 0.484 0.923 0.692 CB 1.208 27 residues pruned to eliminate duplicates Z: 8 16.307 2.209 0.762 0.794 0.857 0.571 CB 1.427 8 residues pruned to eliminate duplicates Z: 18 28.633 1.916 1.003 0.880 0.941 0.647 CB 1.394 18 residues pruned to eliminate duplicates Z: 41 33.136 2.139 0.907 0.529 0.875 0.575 CB 1.426 41 residues pruned to eliminate duplicates Z: 33 25.787 2.028 0.610 0.621 0.938 0.625 CB 1.328 51 residues pruned to eliminate duplicates Z: 40 35.815 2.098 1.026 0.641 0.897 0.692 CB 1.318 40 residues pruned to eliminate duplicates Z: 25 17.124 2.167 0.781 0.311 0.750 0.292 CB 1.489 25 residues pruned to eliminate duplicates Z: 17 28.918 1.977 0.885 0.930 1.000 0.938 CB 1.357 Z: 14 22.778 2.089 0.778 0.523 1.000 0.846 CB 1.663 14 residues pruned to eliminate duplicates Z: 11 17.069 1.868 1.167 0.671 0.900 0.700 N 1.265 Z: 11 10.868 1.870 0.528 0.394 1.000 0.600 CA 1.345 11 residues pruned to eliminate duplicates Z: 21 37.701 2.208 0.927 0.884 1.000 0.800 CB 1.432 21 residues pruned to eliminate duplicates Z: 64 47.379 2.197 0.790 0.623 0.905 0.730 CB 1.495 64 residues pruned to eliminate duplicates Z: 7 2.629 1.571 0.183 0.385 0.667 0.500 CB 0.979 Z: 8 2.242 1.306 -0.059 0.297 1.000 0.429 CB 0.866 Z: 8 2.166 1.648 0.499 0.342 0.571 0.571 CB 0.689 Z: 13 30.019 2.021 1.239 0.916 1.000 0.583 CB 1.352 13 residues pruned to eliminate duplicates Z: 6 2.868 1.859 -0.314 0.347 1.000 0.400 CB 1.188 Z: 11 8.721 1.971 0.548 0.893 0.900 0.700 CB 0.721 11 residues pruned to eliminate duplicates Z: 20 23.192 1.900 0.962 0.558 1.000 0.684 CB 1.349 19 residues pruned to eliminate duplicates Z: 10 9.523 2.054 0.776 0.484 0.667 0.444 CB 1.326 10 residues pruned to eliminate duplicates Z: 107 55.457 2.119 0.945 0.554 0.906 0.557 CB 1.369 107 residues pruned to eliminate duplicates Z: 30 23.685 2.050 0.874 0.521 0.862 0.621 CB 1.301 32 residues pruned to eliminate duplicates Z: 27 25.287 2.266 0.769 0.421 0.885 0.423 CB 1.518 27 residues pruned to eliminate duplicates Z: 15 6.423 1.689 0.663 0.448 0.786 0.500 CB 0.821 Z: 7 34.628 2.371 1.494 0.855 1.000 0.667 CA 1.764 7 residues pruned to eliminate duplicates Z: 7 7.574 1.729 0.270 0.849 1.000 0.667 CA 1.044 7 residues pruned to eliminate duplicates Z: 18 28.145 1.939 0.837 0.916 1.000 0.765 CB 1.353 17 residues pruned to eliminate duplicates Z: 7 4.837 1.727 0.869 0.409 0.667 0.500 CB 1.010 Z: 8 17.306 2.246 1.106 0.429 1.000 0.714 CA 1.488 8 residues pruned to eliminate duplicates Z: 13 19.843 1.955 1.001 0.585 1.000 0.667 CB 1.349 13 residues pruned to eliminate duplicates Z: 14 10.688 1.813 0.112 0.918 1.000 0.769 CB 1.037 14 residues pruned to eliminate duplicates Z: 11 12.153 2.028 0.657 0.900 0.900 0.800 CB 0.908 11 residues pruned to eliminate duplicates Z: 6 6.229 1.885 0.484 0.654 0.800 0.800 CB 1.079 6 residues pruned to eliminate duplicates Z: 94 59.345 2.201 1.011 0.576 0.914 0.602 CB 1.413 94 residues pruned to eliminate duplicates Z: 29 20.011 2.044 0.780 0.467 0.857 0.607 CB 1.254 29 residues pruned to eliminate duplicates Z: 35 35.497 2.112 0.956 0.569 0.882 0.471 CB 1.562 35 residues pruned to eliminate duplicates Z: 47 37.974 2.207 0.976 0.528 0.891 0.587 CB 1.402 47 residues pruned to eliminate duplicates Z: 88 51.224 2.167 0.968 0.556 0.885 0.598 CB 1.378 88 residues pruned to eliminate duplicates Z: 14 14.530 1.838 1.034 0.469 0.846 0.538 CB 1.314 14 residues pruned to eliminate duplicates Z: 6 3.838 1.698 -0.363 0.731 1.000 0.600 CB 1.289 4 residues pruned to eliminate duplicates Z: 15 16.761 1.756 0.740 0.942 1.000 0.929 CB 1.017 15 residues pruned to eliminate duplicates Z: 6 4.448 1.792 0.628 0.337 0.800 0.600 CB 1.019 Z: 29 28.565 2.086 0.940 0.495 0.821 0.643 CA 1.631 29 residues pruned to eliminate duplicates Z: 15 29.940 2.070 0.860 0.842 1.000 0.357 CB 1.548 15 residues pruned to eliminate duplicates Z: 15 14.627 2.078 0.905 0.401 0.786 0.357 CB 1.395 15 residues pruned to eliminate duplicates Z: 99 58.690 2.204 1.007 0.547 0.898 0.561 CB 1.426 99 residues pruned to eliminate duplicates Z: 12 11.078 1.760 0.523 0.616 0.909 0.636 CB 1.227 12 residues pruned to eliminate duplicates Z: 16 34.075 2.153 1.164 0.849 0.933 0.733 CB 1.500 16 residues pruned to eliminate duplicates Z: 15 30.263 2.159 1.025 0.902 1.000 0.643 CB 1.319 15 residues pruned to eliminate duplicates Z: 18 24.756 1.927 0.727 0.918 1.000 0.824 CB 1.273 18 residues pruned to eliminate duplicates Z: 17 24.549 1.921 0.749 0.937 0.938 0.688 CB 1.356 17 residues pruned to eliminate duplicates Z: 8 12.589 2.108 1.028 0.314 1.000 0.714 CA 1.367 8 residues pruned to eliminate duplicates Z: 7 3.801 1.785 0.512 0.324 0.500 0.333 CA 1.394 7 residues pruned to eliminate duplicates Z: 15 21.304 1.937 0.761 0.898 0.929 0.714 CB 1.285 15 residues pruned to eliminate duplicates Z: 21 21.899 1.986 0.870 0.474 0.950 0.650 CB 1.426 21 residues pruned to eliminate duplicates Z: 15 34.854 2.231 1.258 0.852 0.929 0.786 CB 1.473 15 residues pruned to eliminate duplicates Z: 9 12.845 1.793 0.788 0.478 1.000 0.625 C 1.450 9 residues pruned to eliminate duplicates Z: 8 14.973 2.182 1.164 0.488 1.000 0.571 CA 1.214 8 residues pruned to eliminate duplicates Z: 101 50.226 2.077 0.896 0.558 0.890 0.560 CB 1.354 101 residues pruned to eliminate duplicates Z: 18 25.534 1.913 1.061 0.913 0.941 0.294 CB 1.181 18 residues pruned to eliminate duplicates Z: 24 28.707 2.115 0.557 0.867 0.957 0.783 CB 1.390 24 residues pruned to eliminate duplicates Z: 15 14.829 1.768 0.552 0.936 1.000 0.857 CB 1.006 15 residues pruned to eliminate duplicates Z: 36 33.999 2.153 0.904 0.444 0.943 0.543 CB 1.575 36 residues pruned to eliminate duplicates Z: 6 6.730 1.711 0.372 0.684 0.800 0.800 CB 1.353 6 residues pruned to eliminate duplicates Z: 9 16.417 1.985 0.811 0.822 1.000 0.500 CB 1.220 9 residues pruned to eliminate duplicates Z: 14 12.147 1.922 0.412 0.435 0.846 0.615 CB 1.569 14 residues pruned to eliminate duplicates Z: 7 11.812 1.868 0.929 0.537 0.833 0.333 CA 1.549 7 residues pruned to eliminate duplicates Z: 30 34.491 2.325 1.166 0.413 0.862 0.483 CB 1.616 30 residues pruned to eliminate duplicates Z: 8 16.422 1.974 0.734 0.699 1.000 0.714 CB 1.513 8 residues pruned to eliminate duplicates Z: 15 14.075 1.717 0.412 0.935 1.000 0.929 CB 1.081 15 residues pruned to eliminate duplicates Z: 100 60.517 2.146 1.081 0.572 0.899 0.626 CB 1.412 100 residues pruned to eliminate duplicates Z: 18 25.120 1.967 0.551 0.927 1.000 0.882 CA 1.399 18 residues pruned to eliminate duplicates Z: 15 45.431 2.344 1.162 0.908 1.000 0.857 CA 1.702 15 residues pruned to eliminate duplicates Z: 6 6.411 1.844 0.679 0.617 0.800 0.600 CA 1.036 6 residues pruned to eliminate duplicates Z: 17 24.057 1.939 0.565 0.885 1.000 0.812 CB 1.431 17 residues pruned to eliminate duplicates Z: 18 9.954 1.790 0.502 0.407 0.882 0.588 CB 1.122 18 residues pruned to eliminate duplicates Z: 17 34.355 2.039 0.994 0.917 1.000 0.875 CB 1.491 17 residues pruned to eliminate duplicates Z: 13 25.962 1.985 0.981 0.862 1.000 0.750 CB 1.400 13 residues pruned to eliminate duplicates Z: 42 36.387 2.102 0.910 0.625 0.927 0.634 CB 1.358 42 residues pruned to eliminate duplicates Z: 19 24.179 1.908 1.029 0.583 1.000 0.833 CB 1.359 19 residues pruned to eliminate duplicates Z: 10 17.152 2.024 0.696 0.646 1.000 0.667 CB 1.453 10 residues pruned to eliminate duplicates Z: 14 24.635 2.110 0.580 0.933 1.000 0.846 CB 1.429 14 residues pruned to eliminate duplicates Z: 11 9.116 1.759 0.437 0.736 0.800 0.700 CA 1.154 10 residues pruned to eliminate duplicates Z: 8 7.278 1.710 0.811 0.743 0.714 0.571 CB 1.000 8 residues pruned to eliminate duplicates Z: 21 21.288 1.977 0.844 0.498 0.950 0.650 CB 1.376 21 residues pruned to eliminate duplicates Z: 15 21.487 1.882 0.863 0.788 0.857 0.500 CA 1.483 15 residues pruned to eliminate duplicates Z: 15 24.411 2.044 0.721 0.918 1.000 0.857 CB 1.308 15 residues pruned to eliminate duplicates Z: 34 36.425 2.189 0.902 0.644 0.939 0.788 CB 1.417 34 residues pruned to eliminate duplicates Z: 10 14.483 1.772 0.640 0.784 1.000 0.556 CB 1.293 10 residues pruned to eliminate duplicates Z: 21 20.149 1.975 0.654 0.501 1.000 0.800 CB 1.377 21 residues pruned to eliminate duplicates Z: 13 12.694 1.880 0.077 0.897 0.917 0.750 CB 1.413 13 residues pruned to eliminate duplicates Z: 17 26.174 1.923 0.598 0.951 1.000 0.875 CB 1.467 17 residues pruned to eliminate duplicates Z: 50 47.927 2.250 0.784 0.693 0.939 0.653 CB 1.524 50 residues pruned to eliminate duplicates Z: 93 67.125 2.205 1.042 0.628 0.935 0.685 CB 1.473 86 residues pruned to eliminate duplicates Z: 15 37.719 2.336 1.130 0.882 0.929 0.929 CB 1.579 15 residues pruned to eliminate duplicates Z: 10 19.813 2.337 0.586 0.534 1.000 1.000 CB 1.724 10 residues pruned to eliminate duplicates Z: 14 25.286 2.094 1.117 0.472 1.000 0.692 CB 1.628 14 residues pruned to eliminate duplicates Z: 9 28.130 2.330 0.868 0.900 1.000 1.000 CA 1.632 9 residues pruned to eliminate duplicates Z: 89 53.413 2.133 0.937 0.579 0.920 0.602 CB 1.387 89 residues pruned to eliminate duplicates Z: 46 33.537 2.093 0.733 0.576 0.933 0.622 CB 1.372 46 residues pruned to eliminate duplicates Z: 13 13.142 1.864 0.613 0.538 0.917 0.750 CB 1.327 12 residues pruned to eliminate duplicates Z: 15 16.647 1.769 0.584 0.927 1.000 0.786 CB 1.113 15 residues pruned to eliminate duplicates Z: 36 39.406 2.279 0.827 0.588 0.943 0.714 CB 1.560 36 residues pruned to eliminate duplicates Z: 12 16.824 2.092 0.329 0.916 1.000 1.000 CB 1.288 12 residues pruned to eliminate duplicates Z: 54 42.186 2.121 1.023 0.599 0.887 0.585 CB 1.387 72 residues pruned to eliminate duplicates Z: 54 47.153 2.187 1.139 0.616 0.849 0.642 CB 1.461 54 residues pruned to eliminate duplicates Z: 14 17.730 1.883 0.977 0.552 0.923 0.615 CB 1.360 14 residues pruned to eliminate duplicates Z: 21 17.812 2.111 0.817 0.310 0.850 0.550 CA 1.509 21 residues pruned to eliminate duplicates Z: 31 40.260 2.410 1.033 0.436 0.933 0.500 CB 1.717 31 residues pruned to eliminate duplicates Z: 11 7.916 1.639 0.412 0.690 0.900 0.600 CB 1.011 11 residues pruned to eliminate duplicates Z: 14 25.116 2.021 1.031 0.463 1.000 0.538 CB 1.762 14 residues pruned to eliminate duplicates Z: 9 11.385 1.983 0.571 0.519 1.000 0.750 CB 1.267 9 residues pruned to eliminate duplicates Z: 6 10.374 1.848 0.626 0.610 1.000 0.600 CA 1.390 6 residues pruned to eliminate duplicates Z: 15 20.451 2.108 0.263 0.933 1.000 0.929 CB 1.433 15 residues pruned to eliminate duplicates Z: 8 4.958 1.586 0.400 0.407 0.857 0.429 CA 1.085 Z: 20 16.948 2.081 0.843 0.427 0.895 0.632 CB 1.222 20 residues pruned to eliminate duplicates Z: 16 23.184 2.058 0.807 0.776 0.867 0.600 CB 1.455 16 residues pruned to eliminate duplicates Z: 39 32.852 2.045 0.922 0.616 0.921 0.684 CB 1.319 39 residues pruned to eliminate duplicates Z: 20 25.292 2.193 1.347 0.405 0.789 0.526 CB 1.578 20 residues pruned to eliminate duplicates Z: 28 21.744 2.052 0.677 0.480 0.963 0.667 CB 1.289 28 residues pruned to eliminate duplicates Z: 18 10.495 1.801 0.768 0.407 0.824 0.588 CB 1.070 18 residues pruned to eliminate duplicates Z: 55 41.184 2.184 0.956 0.525 0.907 0.593 CB 1.411 55 residues pruned to eliminate duplicates Z: 9 2.234 1.546 0.514 0.124 0.500 0.125 CB 1.081 9 residues pruned to eliminate duplicates Z: 6 2.797 1.105 0.828 0.720 1.000 0.600 N 0.508 Z: 14 14.169 1.764 0.640 0.892 1.000 0.615 CB 0.975 14 residues pruned to eliminate duplicates Z: 7 11.186 1.986 0.573 0.594 1.000 0.333 CB 1.336 7 residues pruned to eliminate duplicates Z: 57 42.869 2.155 0.862 0.534 0.911 0.589 CB 1.516 57 residues pruned to eliminate duplicates Z: 17 42.431 2.293 1.426 0.811 0.875 0.812 CB 1.662 17 residues pruned to eliminate duplicates Z: 15 13.052 1.731 0.231 0.936 1.000 0.929 CB 1.141 15 residues pruned to eliminate duplicates Z: 15 13.036 1.743 0.223 0.909 1.000 0.857 CB 1.161 15 residues pruned to eliminate duplicates Z: 29 39.955 2.213 1.020 0.581 0.964 0.643 CB 1.620 29 residues pruned to eliminate duplicates Z: 8 6.036 1.700 0.554 0.685 0.714 0.429 CB 1.020 8 residues pruned to eliminate duplicates Z: 12 15.806 2.109 0.586 0.715 1.000 0.455 CB 1.172 12 residues pruned to eliminate duplicates Z: 41 38.889 2.185 1.113 0.518 0.900 0.675 CB 1.455 41 residues pruned to eliminate duplicates Z: 18 16.671 1.949 0.711 0.455 0.882 0.529 CB 1.438 7 residues pruned to eliminate duplicates Z: 11 2.837 1.472 0.784 0.206 0.800 0.400 CB 0.605 Z: 6 5.996 1.788 0.615 0.703 1.000 0.400 CB 0.772 Z: 12 9.811 1.780 1.000 0.309 0.727 0.545 CB 1.412 12 residues pruned to eliminate duplicates Z: 61 36.880 2.006 0.885 0.609 0.933 0.617 CB 1.217 61 residues pruned to eliminate duplicates Z: 9 4.354 1.691 0.300 0.462 0.875 0.500 CB 0.832 Z: 18 34.283 1.958 0.982 0.933 1.000 0.765 CB 1.496 Z: 13 18.903 2.011 0.751 0.538 1.000 0.750 CB 1.493 14 residues pruned to eliminate duplicates Z: 14 25.304 2.169 1.190 0.760 0.846 0.615 CB 1.386 14 residues pruned to eliminate duplicates Z: 15 13.529 1.740 0.547 0.885 1.000 0.714 CB 0.970 15 residues pruned to eliminate duplicates Z: 6 2.673 1.647 -0.011 0.512 0.600 0.400 CB 1.208 Z: 17 14.054 1.837 0.522 0.599 0.938 0.688 CB 1.220 23 residues pruned to eliminate duplicates Z: 49 38.901 2.136 1.008 0.568 0.896 0.625 CB 1.368 49 residues pruned to eliminate duplicates Z: 7 2.748 1.338 -0.041 0.470 0.833 0.500 CB 1.081 Z: 13 31.899 2.251 1.030 0.861 1.000 0.917 CA 1.481 13 residues pruned to eliminate duplicates Z: 23 23.874 2.093 0.713 0.632 0.909 0.545 CB 1.379 23 residues pruned to eliminate duplicates Z: 15 15.483 1.761 0.442 0.910 1.000 0.857 CB 1.156 15 residues pruned to eliminate duplicates Z: 14 21.072 2.050 0.891 0.415 1.000 0.692 CB 1.648 14 residues pruned to eliminate duplicates Z: 28 25.018 2.015 0.945 0.523 0.926 0.704 CB 1.297 28 residues pruned to eliminate duplicates Z: 13 8.454 1.801 0.509 0.423 0.750 0.417 CB 1.297 13 residues pruned to eliminate duplicates Z: 23 49.729 2.326 1.080 0.794 1.000 0.864 CA 1.693 23 residues pruned to eliminate duplicates Z: 9 13.753 2.004 0.321 0.821 0.875 0.875 CB 1.589 9 residues pruned to eliminate duplicates Z: 9 6.051 1.512 0.826 0.316 0.875 0.375 CB 1.085 8 residues pruned to eliminate duplicates Z: 6 3.679 1.570 0.416 0.582 0.800 0.600 CB 0.855 6 residues pruned to eliminate duplicates Z: 35 36.537 2.086 0.726 0.853 0.971 0.676 CB 1.325 35 residues pruned to eliminate duplicates Z: 61 33.610 1.992 0.853 0.598 0.883 0.550 CB 1.213 61 residues pruned to eliminate duplicates Z: 98 55.097 2.098 0.896 0.566 0.918 0.619 CB 1.437 98 residues pruned to eliminate duplicates Z: 55 39.818 2.176 0.974 0.496 0.870 0.593 CB 1.454 55 residues pruned to eliminate duplicates Z: 20 26.372 2.086 0.676 0.764 0.947 0.789 CB 1.445 20 residues pruned to eliminate duplicates Z: 42 33.446 2.083 0.979 0.579 0.902 0.634 CB 1.301 42 residues pruned to eliminate duplicates Z: 28 37.287 2.240 0.910 0.645 0.926 0.741 CB 1.583 28 residues pruned to eliminate duplicates Z: 13 9.155 1.765 -0.027 0.931 1.000 0.833 CB 1.075 13 residues pruned to eliminate duplicates Z: 24 13.744 1.846 0.841 0.402 0.696 0.478 N 1.344 33 residues pruned to eliminate duplicates Z: 34 40.686 2.216 0.850 0.617 0.939 0.636 CB 1.646 34 residues pruned to eliminate duplicates Z: 9 4.673 1.858 0.554 0.327 0.625 0.250 CB 1.107 Z: 37 37.909 2.049 0.873 0.816 0.944 0.639 CB 1.325 37 residues pruned to eliminate duplicates Z: 19 23.278 1.928 0.957 0.541 1.000 0.667 CB 1.396 19 residues pruned to eliminate duplicates Z: 13 13.528 1.853 0.421 0.887 1.000 0.750 CB 1.069 13 residues pruned to eliminate duplicates Z: 81 48.364 2.075 0.875 0.646 0.887 0.650 CB 1.366 81 residues pruned to eliminate duplicates Z: 7 5.675 1.613 1.097 0.476 0.667 0.500 CA 1.053 7 residues pruned to eliminate duplicates Z: 6 3.984 1.549 0.311 0.706 1.000 0.400 CA 0.728 6 residues pruned to eliminate duplicates Z: 79 48.802 2.141 1.003 0.581 0.885 0.590 CB 1.348 79 residues pruned to eliminate duplicates Z: 10 13.555 1.917 1.212 0.536 0.667 0.667 CA 1.543 10 residues pruned to eliminate duplicates Z: 22 49.803 2.320 1.105 0.850 0.952 0.857 CB 1.730 22 residues pruned to eliminate duplicates Z: 8 4.125 1.664 -0.085 0.576 0.857 0.571 CB 1.111 Z: 48 40.011 2.089 0.965 0.554 0.957 0.723 CB 1.409 48 residues pruned to eliminate duplicates Z: 61 42.835 2.054 0.915 0.614 0.883 0.683 CB 1.430 79 residues pruned to eliminate duplicates Z: 13 18.620 2.157 0.649 0.538 0.917 0.917 CB 1.589 13 residues pruned to eliminate duplicates Z: 14 12.634 1.994 0.941 0.490 0.692 0.615 CB 1.321 14 residues pruned to eliminate duplicates Z: 7 4.311 1.539 0.575 0.521 1.000 0.500 N 0.711 Z: 13 18.521 1.918 0.848 0.602 1.000 0.583 CB 1.368 13 residues pruned to eliminate duplicates Z: 23 16.889 2.150 0.815 0.422 0.727 0.409 CB 1.376 23 residues pruned to eliminate duplicates Z: 28 16.162 1.835 0.683 0.514 0.889 0.630 CB 1.117 28 residues pruned to eliminate duplicates Z: 14 8.851 1.684 0.574 0.524 0.692 0.538 CA 1.307 14 residues pruned to eliminate duplicates Z: 20 42.569 2.205 1.084 0.924 1.000 0.737 CB 1.492 20 residues pruned to eliminate duplicates Z: 11 6.772 2.102 0.511 0.134 0.900 0.300 CB 1.180 9 residues pruned to eliminate duplicates Z: 14 12.839 1.757 0.816 0.456 0.923 0.615 CB 1.264 14 residues pruned to eliminate duplicates Z: 17 26.982 1.963 0.698 0.939 1.000 0.938 CB 1.406 Z: 22 19.782 2.257 0.979 0.382 0.762 0.476 CB 1.438 22 residues pruned to eliminate duplicates 6 1.545 1.013 -0.093 0.607 1.000 0.400 C 0.679 ? Z: 8 5.930 1.575 0.344 0.608 0.857 0.857 CB 1.115 Z: 70 41.442 2.059 0.804 0.542 0.957 0.638 CB 1.347 70 residues pruned to eliminate duplicates Z: 18 28.148 1.919 0.781 0.929 1.000 0.941 CB 1.397 17 residues pruned to eliminate duplicates Z: 27 24.507 2.030 0.956 0.554 0.885 0.615 CB 1.298 27 residues pruned to eliminate duplicates Z: 13 11.568 1.716 0.344 0.899 1.000 1.000 CB 1.035 13 residues pruned to eliminate duplicates Z: 9 2.724 1.649 0.068 0.536 0.750 0.625 CB 0.704 Z: 6 11.565 1.982 0.578 0.681 1.000 0.800 CA 1.401 Z: 11 3.806 1.498 0.424 0.312 0.700 0.600 N 0.992 Z: 15 12.932 2.099 0.812 0.315 0.786 0.643 CB 1.418 15 residues pruned to eliminate duplicates Z: 15 12.887 1.779 0.209 0.944 1.000 1.000 CB 1.108 15 residues pruned to eliminate duplicates Z: 66 49.526 2.164 0.983 0.565 0.892 0.462 CB 1.507 66 residues pruned to eliminate duplicates Z: 25 31.960 2.248 0.798 0.579 0.958 0.542 CB 1.561 34 residues pruned to eliminate duplicates Z: 11 5.382 1.713 0.290 0.283 0.900 0.300 CA 1.093 10 residues pruned to eliminate duplicates Z: 7 2.458 1.455 0.623 0.255 0.500 0.333 CB 1.126 Z: 27 41.103 2.284 1.093 0.604 0.923 0.769 CA 1.655 27 residues pruned to eliminate duplicates Z: 17 18.688 2.167 0.868 0.504 0.750 0.562 CB 1.533 17 residues pruned to eliminate duplicates Z: 8 9.132 1.561 0.542 0.728 1.000 0.571 N 1.168 8 residues pruned to eliminate duplicates Z: 21 40.114 2.347 1.118 0.607 1.000 0.750 CB 1.630 21 residues pruned to eliminate duplicates Z: 10 11.951 1.750 0.705 0.502 1.000 0.556 CA 1.333 10 residues pruned to eliminate duplicates Z: 42 32.025 2.075 0.757 0.489 0.902 0.537 CB 1.537 42 residues pruned to eliminate duplicates Z: 7 2.665 1.341 0.036 0.351 0.833 0.333 O 1.104 Z: 10 10.707 1.865 0.973 0.883 1.000 0.667 CB 0.701 10 residues pruned to eliminate duplicates Z: 9 11.742 2.142 1.045 0.485 0.750 0.500 CB 1.283 9 residues pruned to eliminate duplicates Z: 9 8.120 1.692 0.452 0.547 0.875 0.375 N 1.275 Z: 15 36.156 2.293 1.143 0.708 1.000 0.714 CB 1.628 15 residues pruned to eliminate duplicates Z: 19 7.500 1.802 0.787 0.294 0.778 0.556 CB 0.889 19 residues pruned to eliminate duplicates Z: 12 15.598 2.097 0.457 0.498 1.000 0.727 CB 1.542 12 residues pruned to eliminate duplicates Z: 51 43.584 2.190 0.979 0.543 0.900 0.580 CB 1.515 51 residues pruned to eliminate duplicates Z: 54 43.553 2.107 0.795 0.672 0.906 0.736 CB 1.491 54 residues pruned to eliminate duplicates Z: 11 11.376 1.792 0.412 0.763 0.900 0.700 CA 1.251 11 residues pruned to eliminate duplicates Z: 12 7.164 1.804 0.342 0.453 0.818 0.545 CB 1.145 12 residues pruned to eliminate duplicates Z: 28 21.739 2.029 0.633 0.456 0.889 0.704 CB 1.486 28 residues pruned to eliminate duplicates Z: 45 47.494 2.292 0.784 0.600 0.955 0.750 CB 1.668 45 residues pruned to eliminate duplicates Z: 20 17.892 1.855 0.747 0.581 0.947 0.684 CB 1.237 20 residues pruned to eliminate duplicates Z: 6 3.702 1.422 0.600 0.480 0.800 0.800 CB 0.928 Z: 26 27.859 2.158 0.654 0.585 0.880 0.680 CB 1.635 26 residues pruned to eliminate duplicates Z: 9 16.491 2.053 0.584 0.864 1.000 0.500 CB 1.314 9 residues pruned to eliminate duplicates Z: 21 10.280 1.725 0.557 0.525 0.850 0.700 CB 0.982 21 residues pruned to eliminate duplicates Z: 16 11.212 2.062 0.620 0.407 0.867 0.333 CB 1.102 16 residues pruned to eliminate duplicates Z: 10 5.225 1.818 0.928 0.472 0.778 0.444 CB 0.657 Z: 16 28.607 2.019 0.824 0.948 1.000 0.667 CB 1.385 16 residues pruned to eliminate duplicates Z: 14 18.248 1.969 0.278 0.944 1.000 0.923 CB 1.393 14 residues pruned to eliminate duplicates Z: 20 15.076 2.263 0.590 0.293 0.737 0.316 CB 1.645 20 residues pruned to eliminate duplicates Z: 17 21.678 1.995 0.727 0.586 0.938 0.688 CA 1.545 17 residues pruned to eliminate duplicates Z: 81 53.712 2.189 0.959 0.563 0.900 0.575 CB 1.464 81 residues pruned to eliminate duplicates Z: 15 14.438 1.852 0.655 0.403 1.000 0.643 CB 1.394 15 residues pruned to eliminate duplicates Z: 36 31.268 2.214 0.866 0.454 0.857 0.600 CB 1.564 36 residues pruned to eliminate duplicates Z: 6 4.577 1.488 0.929 0.293 0.800 0.600 CB 1.124 Z: 17 27.874 1.986 0.835 0.917 1.000 0.625 CB 1.349 17 residues pruned to eliminate duplicates Z: 45 23.320 2.040 0.676 0.363 0.773 0.545 CA 1.542 45 residues pruned to eliminate duplicates Z: 19 22.669 1.907 0.910 0.567 1.000 0.667 CB 1.375 19 residues pruned to eliminate duplicates Z: 6 2.543 1.394 0.419 0.297 0.800 0.600 N 0.902 7 1.996 1.263 0.478 0.248 0.833 0.333 N 0.700 ? Z: 6 11.322 1.963 0.936 0.678 1.000 0.400 CB 1.131 6 residues pruned to eliminate duplicates Z: 15 30.798 2.301 0.904 0.870 0.929 0.929 CB 1.477 15 residues pruned to eliminate duplicates Z: 30 16.203 1.764 0.728 0.541 0.862 0.621 CB 1.101 30 residues pruned to eliminate duplicates Z: 7 2.765 1.346 0.310 0.414 0.833 0.833 CB 0.840 Z: 45 34.090 2.184 0.877 0.551 0.886 0.591 CB 1.346 45 residues pruned to eliminate duplicates Z: 32 29.599 2.060 0.632 0.592 1.000 0.710 CB 1.447 32 residues pruned to eliminate duplicates Z: 21 26.218 2.219 1.041 0.458 0.850 0.400 CB 1.590 21 residues pruned to eliminate duplicates Z: 28 22.634 2.063 0.556 0.597 0.852 0.667 CB 1.453 28 residues pruned to eliminate duplicates Z: 7 3.020 1.585 0.618 0.210 0.667 0.333 C 1.016 7 residues pruned to eliminate duplicates Z: 13 17.887 1.920 0.994 0.555 0.917 0.750 CB 1.395 19 residues pruned to eliminate duplicates Z: 6 11.467 1.799 0.778 0.832 1.000 0.800 CB 1.204 Z: 8 7.529 2.128 0.387 0.226 0.857 0.571 CB 1.549 8 residues pruned to eliminate duplicates Z: 19 19.621 2.102 0.777 0.449 0.944 0.556 CB 1.382 19 residues pruned to eliminate duplicates Z: 54 42.761 2.172 0.894 0.536 0.887 0.717 CB 1.555 54 residues pruned to eliminate duplicates Z: 11 7.578 1.791 0.343 0.359 0.800 0.500 CB 1.448 11 residues pruned to eliminate duplicates 736 residues left after pruning, divided into chains as follows: A: 16 B: 153 C: 16 D: 17 E: 18 F: 15 G: 37 H: 102 I: 16 J: 177 K: 18 L: 151 CC for partial structure against native data = 42.83 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.491, Connect. = 0.762 for dens.mod. cycle 1 = 0.300, Contrast = 0.567, Connect. = 0.788 for dens.mod. cycle 2 = 0.300, Contrast = 0.680, Connect. = 0.811 for dens.mod. cycle 3 = 0.300, Contrast = 0.697, Connect. = 0.813 for dens.mod. cycle 4 = 0.300, Contrast = 0.711, Connect. = 0.815 for dens.mod. cycle 5 = 0.300, Contrast = 0.718, Connect. = 0.816 for dens.mod. cycle 6 = 0.300, Contrast = 0.725, Connect. = 0.817 for dens.mod. cycle 7 = 0.300, Contrast = 0.728, Connect. = 0.818 for dens.mod. cycle 8 = 0.300, Contrast = 0.731, Connect. = 0.819 for dens.mod. cycle 9 = 0.300, Contrast = 0.732, Connect. = 0.819 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4177 peaks > 0.5 sigma used to seed fragment search Space for about 1045 unique residues taking solvent into account 1016 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 29 35.262 2.445 1.116 0.392 0.821 0.393 CB 1.758 B: 14 27.295 2.326 0.683 0.788 0.923 0.615 CA 1.628 C: 15 37.592 2.297 0.943 0.929 1.000 0.643 CB 1.575 D: 15 27.371 2.312 0.919 0.659 0.857 0.571 CB 1.661 15 residues pruned to eliminate duplicates E: 16 42.743 2.172 1.413 0.868 0.933 0.733 CB 1.649 F: 15 31.828 2.308 0.650 0.932 1.000 0.857 CB 1.559 15 residues pruned to eliminate duplicates G: 15 49.856 2.360 1.296 0.911 1.000 0.857 CB 1.742 14 residues pruned to eliminate duplicates H: 21 62.934 2.428 1.197 0.934 1.000 0.750 CB 1.839 I: 15 32.419 2.254 0.780 0.906 1.000 0.857 CB 1.536 15 residues pruned to eliminate duplicates J: 16 47.405 2.312 1.200 0.937 0.933 0.800 CA 1.794 17 residues pruned to eliminate duplicates K: 15 31.909 2.322 0.885 0.771 0.929 0.643 CB 1.651 13 residues pruned to eliminate duplicates L: 37 50.780 2.368 0.712 0.880 0.944 0.750 CB 1.602 20 residues pruned to eliminate duplicates M: 21 37.484 2.282 0.678 0.902 1.000 0.700 CB 1.561 N: 21 41.858 2.354 0.858 0.911 0.950 0.800 CA 1.596 21 residues pruned to eliminate duplicates O: 11 16.453 2.183 1.144 0.447 0.900 0.500 CB 1.304 P: 16 28.660 2.120 0.914 0.799 0.933 0.733 CB 1.504 Q: 14 45.198 2.527 0.881 0.939 1.000 0.923 CA 1.832 R: 33 39.081 2.340 0.837 0.576 0.938 0.781 CB 1.594 16 residues pruned to eliminate duplicates S: 15 29.067 2.204 1.031 0.609 0.929 0.643 CA 1.685 5 residues pruned to eliminate duplicates T: 39 30.535 2.144 0.742 0.632 0.842 0.658 CB 1.392 11 residues pruned to eliminate duplicates U: 15 17.358 2.157 0.747 0.349 0.929 0.643 CB 1.561 V: 15 36.556 2.330 0.834 0.943 1.000 1.000 CB 1.584 15 residues pruned to eliminate duplicates W: 15 39.558 2.392 1.123 0.880 0.929 0.571 CB 1.624 15 residues pruned to eliminate duplicates X: 14 47.182 2.451 1.178 0.875 1.000 0.923 CB 1.782 14 residues pruned to eliminate duplicates Y: 36 28.626 2.135 0.553 0.624 0.914 0.771 CB 1.420 36 residues pruned to eliminate duplicates Z: 13 34.195 2.302 0.804 0.859 1.000 0.750 CB 1.749 Z: 25 37.461 2.359 0.767 0.816 0.875 0.667 CB 1.593 25 residues pruned to eliminate duplicates Z: 15 53.257 2.437 1.330 0.952 1.000 0.929 CB 1.726 16 residues pruned to eliminate duplicates Z: 38 42.660 2.277 0.791 0.867 0.811 0.676 CB 1.552 38 residues pruned to eliminate duplicates Z: 14 39.389 2.279 1.131 0.932 1.000 1.000 CB 1.571 14 residues pruned to eliminate duplicates Z: 24 40.081 2.243 0.818 0.840 1.000 0.739 CB 1.530 21 residues pruned to eliminate duplicates Z: 20 17.641 2.147 0.728 0.415 0.842 0.526 CB 1.416 Z: 17 34.056 2.189 0.837 0.794 1.000 0.688 CB 1.636 16 residues pruned to eliminate duplicates Z: 15 51.314 2.411 1.225 0.928 1.000 0.714 CB 1.791 15 residues pruned to eliminate duplicates Z: 29 40.341 2.302 0.828 0.588 0.964 0.750 CB 1.727 18 residues pruned to eliminate duplicates Z: 9 17.574 1.991 1.048 0.650 0.875 0.750 N 1.515 Z: 18 26.431 2.039 0.797 0.743 0.941 0.588 CA 1.495 18 residues pruned to eliminate duplicates Z: 16 25.881 2.246 0.708 0.753 0.933 0.667 CB 1.490 16 residues pruned to eliminate duplicates Z: 18 15.195 2.128 0.609 0.494 0.882 0.471 CB 1.228 Z: 16 41.631 2.262 1.065 0.911 0.933 0.933 CA 1.746 16 residues pruned to eliminate duplicates Z: 11 24.934 2.532 0.551 0.812 0.900 0.300 CB 1.700 11 residues pruned to eliminate duplicates Z: 16 52.463 2.328 1.340 0.890 1.000 0.800 CB 1.789 16 residues pruned to eliminate duplicates Z: 30 38.908 2.355 0.694 0.531 0.966 0.690 CA 1.818 13 residues pruned to eliminate duplicates Z: 16 26.284 2.257 0.549 0.878 0.933 0.933 CB 1.509 16 residues pruned to eliminate duplicates Z: 17 35.898 2.200 1.082 0.763 1.000 0.688 CA 1.551 17 residues pruned to eliminate duplicates Z: 16 49.064 2.341 1.334 0.884 0.933 0.867 CB 1.795 16 residues pruned to eliminate duplicates Z: 15 48.011 2.403 1.212 0.880 1.000 0.929 CB 1.749 15 residues pruned to eliminate duplicates Z: 15 38.143 2.313 0.964 0.937 1.000 0.786 CB 1.563 15 residues pruned to eliminate duplicates Z: 23 34.705 2.238 1.011 0.501 0.955 0.545 CB 1.720 9 residues pruned to eliminate duplicates Z: 14 21.898 2.083 0.907 0.762 0.846 0.692 CB 1.432 Z: 39 48.874 2.248 0.823 0.877 0.895 0.737 CB 1.569 39 residues pruned to eliminate duplicates Z: 14 19.143 2.264 0.796 0.493 0.846 0.615 CB 1.555 14 residues pruned to eliminate duplicates Z: 21 41.479 2.247 0.933 0.931 0.950 0.750 CB 1.570 24 residues pruned to eliminate duplicates Z: 56 41.482 2.079 0.848 0.632 0.891 0.618 CB 1.444 15 residues pruned to eliminate duplicates Z: 16 12.831 2.068 0.760 0.484 0.867 0.533 CB 1.068 Z: 30 37.303 2.460 0.786 0.546 0.931 0.621 CB 1.619 30 residues pruned to eliminate duplicates Z: 15 49.559 2.439 1.160 0.899 1.000 0.857 CA 1.797 15 residues pruned to eliminate duplicates Z: 12 24.566 2.248 0.784 0.804 0.909 0.727 CB 1.558 Z: 15 38.034 2.410 0.840 0.876 1.000 0.857 CB 1.667 15 residues pruned to eliminate duplicates Z: 38 30.084 2.154 0.650 0.614 0.865 0.649 CB 1.444 38 residues pruned to eliminate duplicates Z: 6 7.645 1.927 0.235 0.632 0.800 0.800 CA 1.587 6 residues pruned to eliminate duplicates Z: 11 20.873 2.164 0.484 0.889 1.000 0.800 CB 1.480 11 residues pruned to eliminate duplicates Z: 20 30.983 2.361 0.923 0.486 0.895 0.526 CB 1.775 20 residues pruned to eliminate duplicates Z: 21 24.058 2.427 0.497 0.394 0.950 0.350 CB 1.744 26 residues pruned to eliminate duplicates Z: 14 23.119 2.250 0.499 0.814 0.923 0.769 CA 1.567 Z: 21 46.219 2.261 1.047 0.914 0.950 0.800 CA 1.661 21 residues pruned to eliminate duplicates Z: 11 21.762 2.225 0.675 0.784 0.900 0.800 CB 1.598 11 residues pruned to eliminate duplicates Z: 17 34.845 2.228 0.897 0.851 1.000 0.688 CB 1.525 17 residues pruned to eliminate duplicates Z: 13 15.798 2.166 0.633 0.371 0.917 0.750 CB 1.615 15 residues pruned to eliminate duplicates Z: 59 39.442 2.258 0.678 0.558 0.897 0.638 CB 1.441 51 residues pruned to eliminate duplicates Z: 15 26.373 2.052 0.525 0.921 1.000 0.786 CB 1.586 Z: 20 47.769 2.439 0.845 0.904 0.947 0.842 CB 1.831 20 residues pruned to eliminate duplicates Z: 82 51.042 2.228 0.882 0.561 0.877 0.593 CB 1.454 43 residues pruned to eliminate duplicates Z: 16 22.851 2.049 0.271 0.940 1.000 0.933 CB 1.574 14 residues pruned to eliminate duplicates Z: 69 55.699 2.222 0.999 0.620 0.926 0.618 CB 1.466 69 residues pruned to eliminate duplicates Z: 17 19.341 2.238 0.659 0.517 0.875 0.500 CB 1.464 17 residues pruned to eliminate duplicates Z: 71 63.479 2.234 0.931 0.662 0.943 0.657 CB 1.605 71 residues pruned to eliminate duplicates Z: 14 22.365 2.270 0.446 0.852 0.923 0.538 CB 1.514 14 residues pruned to eliminate duplicates Z: 16 38.446 2.317 1.082 0.854 0.867 0.733 CB 1.753 16 residues pruned to eliminate duplicates Z: 37 36.739 2.276 0.702 0.559 0.889 0.639 CB 1.678 26 residues pruned to eliminate duplicates Z: 13 29.602 2.363 0.653 0.847 1.000 0.750 CA 1.624 13 residues pruned to eliminate duplicates Z: 11 26.638 2.128 1.065 0.815 0.900 0.800 CB 1.620 11 residues pruned to eliminate duplicates Z: 15 40.786 2.303 1.122 0.947 1.000 0.929 CB 1.542 15 residues pruned to eliminate duplicates Z: 16 40.442 2.335 0.897 0.824 1.000 0.600 CB 1.781 17 residues pruned to eliminate duplicates Z: 21 32.333 2.409 0.916 0.476 0.900 0.650 CB 1.784 21 residues pruned to eliminate duplicates Z: 46 30.214 2.201 0.805 0.376 0.844 0.489 CB 1.533 46 residues pruned to eliminate duplicates Z: 53 50.246 2.227 0.913 0.626 0.923 0.750 CB 1.575 53 residues pruned to eliminate duplicates Z: 14 19.096 2.319 0.687 0.479 0.846 0.462 CB 1.634 14 residues pruned to eliminate duplicates Z: 15 46.237 2.422 0.988 0.935 1.000 0.857 CB 1.788 15 residues pruned to eliminate duplicates Z: 13 27.486 2.199 0.620 0.879 1.000 0.750 CA 1.615 13 residues pruned to eliminate duplicates Z: 15 31.000 2.266 0.850 0.808 0.929 0.643 CB 1.627 15 residues pruned to eliminate duplicates Z: 44 30.053 2.314 0.766 0.414 0.837 0.465 CB 1.466 52 residues pruned to eliminate duplicates Z: 16 42.503 2.347 1.096 0.837 1.000 0.467 CA 1.668 14 residues pruned to eliminate duplicates Z: 32 39.239 2.399 0.805 0.526 0.935 0.710 CB 1.695 32 residues pruned to eliminate duplicates Z: 6 6.139 1.746 0.475 0.663 0.600 0.600 O 1.528 6 residues pruned to eliminate duplicates Z: 15 26.746 2.026 0.546 0.911 1.000 0.786 CA 1.617 15 residues pruned to eliminate duplicates Z: 11 11.400 2.215 0.289 0.433 0.800 0.500 CA 1.691 11 residues pruned to eliminate duplicates Z: 19 27.341 2.448 0.837 0.501 0.833 0.611 CA 1.719 19 residues pruned to eliminate duplicates Z: 38 47.161 2.346 0.607 0.865 0.919 0.730 CB 1.639 38 residues pruned to eliminate duplicates Z: 15 19.359 2.083 0.736 0.423 1.000 0.786 CB 1.551 15 residues pruned to eliminate duplicates Z: 25 32.740 2.341 0.764 0.584 0.917 0.667 CB 1.628 25 residues pruned to eliminate duplicates Z: 8 12.749 2.188 0.908 0.363 0.857 0.286 CA 1.561 8 residues pruned to eliminate duplicates Z: 13 32.263 2.144 1.308 0.838 1.000 0.833 CB 1.407 13 residues pruned to eliminate duplicates Z: 63 53.891 2.354 0.705 0.576 0.919 0.677 CB 1.725 57 residues pruned to eliminate duplicates Z: 17 30.251 2.110 0.828 0.814 0.938 0.688 CA 1.592 17 residues pruned to eliminate duplicates Z: 20 42.677 2.294 0.853 0.912 0.947 0.789 CA 1.722 20 residues pruned to eliminate duplicates Z: 99 62.222 2.234 0.995 0.558 0.888 0.622 CB 1.502 71 residues pruned to eliminate duplicates Z: 13 20.669 2.335 0.586 0.752 0.917 0.583 CB 1.403 13 residues pruned to eliminate duplicates Z: 16 34.598 2.274 1.144 0.817 0.867 0.467 CB 1.605 16 residues pruned to eliminate duplicates Z: 21 48.117 2.384 0.816 0.929 1.000 0.900 CA 1.739 21 residues pruned to eliminate duplicates Z: 16 40.953 2.328 1.144 0.819 1.000 0.800 CB 1.606 16 residues pruned to eliminate duplicates Z: 13 30.997 2.382 0.729 0.845 0.917 0.750 CB 1.763 13 residues pruned to eliminate duplicates Z: 11 26.009 2.243 0.652 0.852 1.000 0.900 CB 1.641 11 residues pruned to eliminate duplicates Z: 47 36.317 2.238 0.734 0.520 0.870 0.587 CB 1.556 47 residues pruned to eliminate duplicates Z: 17 33.838 2.238 1.034 0.819 0.938 0.625 CB 1.502 17 residues pruned to eliminate duplicates Z: 20 41.952 2.289 1.047 0.912 0.947 0.684 CB 1.536 20 residues pruned to eliminate duplicates Z: 18 28.844 1.960 0.837 0.923 0.941 0.765 CA 1.451 18 residues pruned to eliminate duplicates Z: 26 37.001 2.438 0.854 0.500 0.920 0.560 CB 1.781 26 residues pruned to eliminate duplicates Z: 14 26.775 2.300 0.605 0.813 0.923 0.769 CB 1.660 14 residues pruned to eliminate duplicates Z: 16 25.389 1.996 0.606 0.946 1.000 0.933 CB 1.414 Z: 12 31.569 2.361 0.874 0.817 1.000 0.636 CB 1.633 12 residues pruned to eliminate duplicates Z: 17 40.849 2.172 1.214 0.870 1.000 0.812 CB 1.550 17 residues pruned to eliminate duplicates Z: 9 13.343 1.992 0.788 0.490 0.875 0.625 CB 1.528 Z: 34 32.382 2.132 0.529 0.858 0.909 0.758 CB 1.401 34 residues pruned to eliminate duplicates Z: 16 31.333 2.203 0.747 0.834 0.933 0.800 CA 1.688 16 residues pruned to eliminate duplicates Z: 17 18.509 2.136 0.853 0.407 0.875 0.625 CB 1.472 17 residues pruned to eliminate duplicates Z: 15 17.419 2.032 0.598 0.433 1.000 0.857 CB 1.537 13 residues pruned to eliminate duplicates Z: 43 38.124 2.368 0.818 0.418 0.905 0.429 CB 1.646 43 residues pruned to eliminate duplicates Z: 16 30.787 2.244 0.796 0.793 0.933 0.533 CA 1.635 16 residues pruned to eliminate duplicates Z: 34 35.710 2.343 0.927 0.472 0.879 0.515 CB 1.612 34 residues pruned to eliminate duplicates Z: 14 32.605 2.330 0.733 0.799 1.000 0.769 CB 1.723 14 residues pruned to eliminate duplicates Z: 61 44.082 2.166 0.882 0.586 0.917 0.583 CB 1.402 61 residues pruned to eliminate duplicates Z: 119 57.542 2.170 0.825 0.522 0.898 0.559 CB 1.457 60 residues pruned to eliminate duplicates Z: 16 30.824 1.961 0.753 0.946 1.000 0.467 CB 1.601 16 residues pruned to eliminate duplicates Z: 38 45.230 2.330 0.508 0.856 0.973 0.757 CB 1.604 38 residues pruned to eliminate duplicates Z: 112 66.122 2.306 0.751 0.573 0.946 0.595 CB 1.532 112 residues pruned to eliminate duplicates Z: 12 15.271 2.076 0.633 0.524 0.909 0.727 CA 1.459 12 residues pruned to eliminate duplicates Z: 15 14.199 1.769 1.100 0.673 0.786 0.500 CB 1.108 15 residues pruned to eliminate duplicates Z: 13 10.019 1.954 0.015 0.892 1.000 0.917 CB 1.048 Z: 18 19.039 2.110 0.930 0.387 0.824 0.471 CA 1.553 16 residues pruned to eliminate duplicates Z: 27 20.109 2.177 0.797 0.396 0.769 0.500 CB 1.463 27 residues pruned to eliminate duplicates Z: 16 23.162 1.993 0.549 0.937 1.000 0.933 CB 1.348 16 residues pruned to eliminate duplicates Z: 12 31.224 2.426 0.632 0.904 1.000 0.727 CA 1.694 12 residues pruned to eliminate duplicates Z: 47 37.821 2.150 0.699 0.696 0.913 0.587 CB 1.397 34 residues pruned to eliminate duplicates Z: 21 46.457 2.414 0.814 0.897 0.950 0.750 CB 1.788 21 residues pruned to eliminate duplicates Z: 20 43.503 2.484 0.627 0.919 0.947 0.842 CB 1.837 20 residues pruned to eliminate duplicates Z: 27 24.026 2.085 0.800 0.509 0.885 0.577 CB 1.407 27 residues pruned to eliminate duplicates Z: 15 27.687 2.020 1.077 0.818 0.929 0.643 CB 1.441 15 residues pruned to eliminate duplicates Z: 33 32.825 2.318 0.606 0.535 0.906 0.688 CB 1.663 33 residues pruned to eliminate duplicates Z: 16 19.711 2.080 0.850 0.556 0.867 0.667 CB 1.445 16 residues pruned to eliminate duplicates Z: 17 28.444 2.088 0.757 0.842 0.938 0.750 CB 1.540 17 residues pruned to eliminate duplicates Z: 17 39.555 2.201 1.098 0.785 1.000 0.500 CB 1.666 17 residues pruned to eliminate duplicates Z: 16 43.552 2.320 1.027 0.906 0.933 0.800 CB 1.822 16 residues pruned to eliminate duplicates Z: 15 19.898 2.034 0.443 0.879 0.929 0.929 CA 1.416 16 residues pruned to eliminate duplicates Z: 16 23.764 1.992 0.401 0.873 1.000 0.867 CB 1.601 16 residues pruned to eliminate duplicates Z: 21 48.152 2.426 0.990 0.921 0.900 0.650 CB 1.744 21 residues pruned to eliminate duplicates Z: 16 27.182 2.151 0.692 0.847 1.000 0.667 CB 1.432 16 residues pruned to eliminate duplicates Z: 17 29.627 2.317 0.983 0.466 0.875 0.500 CA 1.908 17 residues pruned to eliminate duplicates Z: 15 36.150 2.286 0.903 0.855 1.000 0.857 CB 1.639 15 residues pruned to eliminate duplicates Z: 14 44.232 2.420 1.303 0.897 0.923 0.846 CB 1.707 14 residues pruned to eliminate duplicates Z: 16 27.143 2.180 0.554 0.826 0.933 0.733 CA 1.671 16 residues pruned to eliminate duplicates Z: 21 15.416 2.013 0.637 0.418 0.850 0.600 CB 1.340 21 residues pruned to eliminate duplicates Z: 17 13.742 1.919 0.416 0.811 1.000 0.812 CB 0.964 17 residues pruned to eliminate duplicates Z: 15 29.078 2.192 0.764 0.774 0.929 0.786 CA 1.699 15 residues pruned to eliminate duplicates Z: 7 6.893 2.168 0.225 0.564 0.667 0.667 CB 1.494 7 residues pruned to eliminate duplicates Z: 25 32.714 2.341 0.673 0.641 0.958 0.750 CB 1.558 25 residues pruned to eliminate duplicates Z: 17 26.766 2.044 0.701 0.834 0.938 0.812 CB 1.538 17 residues pruned to eliminate duplicates Z: 20 26.170 2.276 1.008 0.451 0.842 0.316 CB 1.639 20 residues pruned to eliminate duplicates Z: 29 36.520 2.428 0.796 0.531 0.893 0.536 CB 1.720 29 residues pruned to eliminate duplicates Z: 18 32.162 1.995 1.143 0.908 0.941 0.529 CB 1.377 18 residues pruned to eliminate duplicates Z: 14 19.116 2.145 0.786 0.456 0.923 0.923 CB 1.568 14 residues pruned to eliminate duplicates Z: 33 37.195 2.207 0.605 0.841 0.969 0.656 CB 1.429 33 residues pruned to eliminate duplicates Z: 12 35.674 2.528 0.734 0.879 1.000 0.727 CB 1.779 12 residues pruned to eliminate duplicates Z: 28 22.749 2.022 0.779 0.445 0.926 0.593 CB 1.391 28 residues pruned to eliminate duplicates Z: 17 30.744 2.176 0.835 0.820 0.938 0.562 CA 1.556 17 residues pruned to eliminate duplicates Z: 76 48.389 2.213 0.744 0.564 0.920 0.613 CB 1.480 76 residues pruned to eliminate duplicates Z: 18 23.239 2.235 0.529 0.838 0.882 0.647 CB 1.397 18 residues pruned to eliminate duplicates Z: 16 21.964 1.979 0.336 0.906 1.000 0.933 CB 1.525 16 residues pruned to eliminate duplicates Z: 17 19.018 1.954 0.255 0.898 1.000 0.750 CB 1.387 17 residues pruned to eliminate duplicates Z: 15 14.643 1.990 0.807 0.484 0.857 0.500 CB 1.290 15 residues pruned to eliminate duplicates Z: 12 8.729 2.064 0.516 0.282 0.818 0.273 CB 1.314 7 residues pruned to eliminate duplicates Z: 19 26.194 2.279 0.713 0.594 0.889 0.667 CB 1.627 19 residues pruned to eliminate duplicates Z: 28 30.726 2.334 0.747 0.488 0.852 0.481 CB 1.724 28 residues pruned to eliminate duplicates Z: 25 31.690 2.347 0.859 0.436 0.875 0.458 CB 1.811 25 residues pruned to eliminate duplicates Z: 6 8.888 1.724 0.543 0.728 1.000 0.600 N 1.217 6 residues pruned to eliminate duplicates Z: 26 22.080 2.266 0.947 0.464 0.800 0.480 CB 1.298 26 residues pruned to eliminate duplicates Z: 10 17.980 1.930 0.735 0.834 1.000 0.889 CB 1.342 10 residues pruned to eliminate duplicates Z: 7 4.826 1.722 0.582 0.412 0.667 0.667 CA 1.190 7 residues pruned to eliminate duplicates Z: 17 18.315 2.015 0.817 0.419 0.875 0.500 CB 1.555 Z: 17 19.075 2.095 0.690 0.565 0.812 0.688 CB 1.557 17 residues pruned to eliminate duplicates Z: 17 24.796 1.994 0.492 0.935 1.000 1.000 CB 1.452 17 residues pruned to eliminate duplicates Z: 21 25.078 1.992 0.723 0.583 1.000 0.800 CB 1.509 Z: 19 28.850 2.164 0.667 0.870 0.944 0.667 CB 1.456 19 residues pruned to eliminate duplicates Z: 12 21.594 2.131 0.558 0.882 1.000 0.636 CB 1.419 12 residues pruned to eliminate duplicates Z: 16 25.291 1.999 0.710 0.908 1.000 0.867 CB 1.356 17 residues pruned to eliminate duplicates Z: 16 34.930 2.164 0.954 0.893 1.000 0.867 CA 1.531 16 residues pruned to eliminate duplicates Z: 15 12.878 2.065 0.661 0.399 0.929 0.429 CB 1.202 15 residues pruned to eliminate duplicates Z: 67 48.123 2.323 0.701 0.558 0.848 0.591 CB 1.669 67 residues pruned to eliminate duplicates Z: 17 28.655 2.072 1.050 0.738 0.875 0.500 CA 1.556 17 residues pruned to eliminate duplicates Z: 17 29.921 1.940 0.745 0.948 1.000 0.875 CB 1.526 17 residues pruned to eliminate duplicates Z: 19 13.219 1.779 0.660 0.443 0.889 0.611 CB 1.259 19 residues pruned to eliminate duplicates Z: 58 38.373 2.136 0.814 0.546 0.895 0.667 CB 1.401 58 residues pruned to eliminate duplicates Z: 12 29.134 2.227 0.848 0.906 1.000 0.636 CB 1.518 12 residues pruned to eliminate duplicates Z: 16 23.447 1.997 0.516 0.918 1.000 0.933 CB 1.411 16 residues pruned to eliminate duplicates Z: 19 15.220 2.015 0.561 0.424 0.889 0.667 CB 1.388 19 residues pruned to eliminate duplicates Z: 59 49.882 2.214 0.981 0.620 0.897 0.655 CB 1.487 59 residues pruned to eliminate duplicates Z: 110 56.320 2.188 0.817 0.543 0.908 0.569 CB 1.433 110 residues pruned to eliminate duplicates Z: 21 47.550 2.251 1.007 0.930 1.000 0.800 CB 1.646 21 residues pruned to eliminate duplicates Z: 31 35.395 2.273 0.832 0.538 0.900 0.667 CB 1.662 31 residues pruned to eliminate duplicates Z: 15 30.634 2.115 0.749 0.948 1.000 0.714 CB 1.528 14 residues pruned to eliminate duplicates Z: 18 12.207 2.037 0.638 0.323 0.941 0.471 CB 1.145 18 residues pruned to eliminate duplicates Z: 59 39.698 2.304 0.492 0.608 0.931 0.638 CB 1.470 59 residues pruned to eliminate duplicates Z: 21 42.797 2.402 0.991 0.858 0.900 0.650 CB 1.637 21 residues pruned to eliminate duplicates Z: 13 24.129 2.186 0.587 0.872 0.917 0.667 CB 1.597 13 residues pruned to eliminate duplicates Z: 30 22.480 2.210 0.761 0.408 0.759 0.448 CB 1.557 30 residues pruned to eliminate duplicates Z: 23 39.893 2.426 0.725 0.649 0.955 0.727 CB 1.853 23 residues pruned to eliminate duplicates Z: 14 26.992 2.178 0.724 0.793 0.923 0.769 CA 1.670 14 residues pruned to eliminate duplicates Z: 33 44.082 2.293 0.950 0.660 1.000 0.625 CB 1.502 33 residues pruned to eliminate duplicates Z: 19 26.061 1.946 0.571 0.931 1.000 0.944 CB 1.404 19 residues pruned to eliminate duplicates Z: 8 27.816 2.530 0.820 0.886 1.000 0.714 CB 1.647 8 residues pruned to eliminate duplicates Z: 15 27.527 2.076 0.677 0.908 1.000 0.857 CB 1.501 15 residues pruned to eliminate duplicates Z: 15 17.830 2.153 0.710 0.473 0.857 0.571 CB 1.552 15 residues pruned to eliminate duplicates Z: 46 41.127 2.281 0.600 0.597 0.956 0.622 CB 1.603 57 residues pruned to eliminate duplicates Z: 16 18.166 2.059 0.322 0.911 1.000 0.800 CB 1.221 16 residues pruned to eliminate duplicates Z: 17 25.501 1.982 0.697 0.927 0.938 0.625 CB 1.417 17 residues pruned to eliminate duplicates Z: 14 13.350 2.171 0.448 0.446 0.923 0.385 CB 1.349 14 residues pruned to eliminate duplicates Z: 21 26.129 2.228 0.786 0.473 0.900 0.500 CB 1.676 36 residues pruned to eliminate duplicates Z: 11 20.439 1.986 0.610 0.862 1.000 0.700 CB 1.484 11 residues pruned to eliminate duplicates Z: 16 32.004 2.208 0.877 0.834 1.000 0.867 CB 1.495 16 residues pruned to eliminate duplicates Z: 12 6.643 1.683 0.290 0.475 0.727 0.545 CB 1.301 11 residues pruned to eliminate duplicates Z: 34 26.463 2.014 0.762 0.660 0.848 0.758 CB 1.318 34 residues pruned to eliminate duplicates Z: 25 25.144 2.238 1.011 0.475 0.750 0.458 CB 1.560 25 residues pruned to eliminate duplicates Z: 7 17.106 2.366 0.659 0.833 1.000 1.000 CB 1.335 7 residues pruned to eliminate duplicates Z: 26 40.822 2.386 0.871 0.632 0.880 0.680 CB 1.836 26 residues pruned to eliminate duplicates Z: 100 52.524 2.145 0.620 0.676 0.919 0.707 CB 1.405 104 residues pruned to eliminate duplicates Z: 16 31.164 2.001 0.934 0.937 1.000 0.800 CB 1.447 16 residues pruned to eliminate duplicates Z: 13 23.664 2.194 0.531 0.861 1.000 0.833 CB 1.494 13 residues pruned to eliminate duplicates Z: 15 19.382 1.958 0.864 0.481 1.000 0.571 CB 1.447 Z: 107 58.701 2.160 0.738 0.644 0.925 0.651 CB 1.436 107 residues pruned to eliminate duplicates Z: 17 23.046 1.980 0.424 0.944 1.000 1.000 CB 1.416 17 residues pruned to eliminate duplicates Z: 27 29.392 2.360 0.724 0.434 0.885 0.462 CB 1.715 27 residues pruned to eliminate duplicates Z: 20 38.866 2.384 1.059 0.541 0.947 0.632 CA 1.842 21 residues pruned to eliminate duplicates Z: 10 8.059 1.688 1.006 0.364 0.889 0.444 CB 1.034 10 residues pruned to eliminate duplicates Z: 15 55.269 2.359 1.570 0.934 0.929 0.643 CB 1.830 15 residues pruned to eliminate duplicates Z: 27 27.234 2.076 0.959 0.533 0.923 0.731 CB 1.377 27 residues pruned to eliminate duplicates Z: 10 16.323 1.943 0.990 0.450 0.889 0.778 CA 1.667 10 residues pruned to eliminate duplicates Z: 34 37.069 2.166 0.630 0.844 0.970 0.697 CB 1.402 34 residues pruned to eliminate duplicates Z: 16 18.279 1.978 0.269 0.929 1.000 0.933 CB 1.316 16 residues pruned to eliminate duplicates Z: 23 34.108 2.249 0.840 0.659 0.955 0.636 CB 1.588 23 residues pruned to eliminate duplicates Z: 17 25.460 2.041 0.788 0.817 0.938 0.562 CB 1.412 17 residues pruned to eliminate duplicates Z: 19 25.176 2.261 0.555 0.797 0.889 0.667 CB 1.463 19 residues pruned to eliminate duplicates Z: 12 25.886 2.306 0.677 0.833 0.909 0.818 CB 1.666 12 residues pruned to eliminate duplicates Z: 12 23.231 2.247 0.795 0.797 0.818 0.636 CB 1.636 12 residues pruned to eliminate duplicates Z: 12 27.139 2.342 0.946 0.839 0.909 0.545 CA 1.475 12 residues pruned to eliminate duplicates Z: 20 45.122 2.375 0.722 0.906 1.000 0.632 CA 1.800 20 residues pruned to eliminate duplicates Z: 38 48.073 2.340 0.680 0.863 0.919 0.784 CB 1.604 38 residues pruned to eliminate duplicates Z: 10 14.524 1.872 0.617 0.788 1.000 0.556 CB 1.241 10 residues pruned to eliminate duplicates Z: 13 29.333 2.176 0.906 0.891 1.000 0.667 CB 1.468 13 residues pruned to eliminate duplicates Z: 15 41.046 2.333 0.984 0.885 1.000 0.786 CB 1.711 15 residues pruned to eliminate duplicates Z: 11 16.309 2.130 0.917 0.426 0.900 0.700 CB 1.515 11 residues pruned to eliminate duplicates Z: 12 11.829 2.042 0.363 0.497 0.909 0.727 CB 1.414 Z: 29 30.188 2.366 0.726 0.428 0.857 0.429 CB 1.756 29 residues pruned to eliminate duplicates Z: 9 26.108 2.313 1.200 0.836 0.875 0.875 CB 1.551 9 residues pruned to eliminate duplicates Z: 13 14.599 2.007 0.897 0.894 0.917 0.583 CB 0.866 13 residues pruned to eliminate duplicates Z: 18 23.795 2.033 0.346 0.915 1.000 0.882 CA 1.490 18 residues pruned to eliminate duplicates Z: 19 42.150 2.296 0.985 0.930 1.000 0.889 CB 1.524 19 residues pruned to eliminate duplicates Z: 25 25.778 2.154 0.878 0.563 0.875 0.542 CB 1.399 25 residues pruned to eliminate duplicates Z: 16 31.905 2.148 0.815 0.856 1.000 0.667 CB 1.558 16 residues pruned to eliminate duplicates Z: 9 23.612 2.310 0.754 0.903 0.875 0.875 CB 1.678 9 residues pruned to eliminate duplicates Z: 99 65.143 2.255 0.964 0.561 0.918 0.663 CB 1.525 99 residues pruned to eliminate duplicates Z: 17 21.542 1.937 0.287 0.923 1.000 0.812 CB 1.518 17 residues pruned to eliminate duplicates Z: 81 52.065 2.175 0.826 0.563 0.925 0.562 CB 1.491 81 residues pruned to eliminate duplicates Z: 17 24.362 1.999 0.446 0.917 1.000 0.938 CB 1.487 17 residues pruned to eliminate duplicates Z: 7 4.591 1.756 0.618 0.244 0.667 0.500 C 1.330 7 residues pruned to eliminate duplicates Z: 32 35.677 2.300 0.641 0.603 0.935 0.645 CA 1.645 32 residues pruned to eliminate duplicates Z: 11 11.711 1.935 0.716 0.567 0.800 0.700 CB 1.306 11 residues pruned to eliminate duplicates Z: 13 25.238 2.440 0.889 0.477 0.917 0.583 CA 1.765 13 residues pruned to eliminate duplicates Z: 39 31.507 2.300 0.755 0.420 0.789 0.368 CB 1.742 39 residues pruned to eliminate duplicates Z: 30 41.680 2.305 0.820 0.570 1.000 0.655 CB 1.724 30 residues pruned to eliminate duplicates Z: 25 30.164 2.260 0.652 0.650 0.958 0.625 CB 1.496 25 residues pruned to eliminate duplicates Z: 93 57.575 2.298 0.723 0.566 0.924 0.641 CB 1.540 93 residues pruned to eliminate duplicates Z: 19 37.828 2.305 0.676 0.941 1.000 0.889 CB 1.602 19 residues pruned to eliminate duplicates Z: 21 17.346 2.127 0.816 0.432 0.850 0.550 CB 1.268 21 residues pruned to eliminate duplicates Z: 19 20.157 1.867 0.757 0.558 1.000 0.667 CB 1.369 15 residues pruned to eliminate duplicates Z: 11 14.345 2.075 0.680 0.882 0.700 0.200 CB 1.346 11 residues pruned to eliminate duplicates Z: 8 31.707 2.632 0.767 0.864 1.000 0.571 CB 1.889 8 residues pruned to eliminate duplicates Z: 28 24.487 2.262 0.502 0.602 0.815 0.667 CB 1.545 28 residues pruned to eliminate duplicates Z: 16 19.715 2.195 0.693 0.462 0.933 0.600 CB 1.526 Z: 18 29.555 1.963 0.734 0.935 0.941 0.706 CB 1.559 18 residues pruned to eliminate duplicates Z: 38 54.416 2.350 0.779 0.858 0.973 0.757 CB 1.619 38 residues pruned to eliminate duplicates Z: 13 19.619 2.239 1.190 0.528 0.750 0.583 CB 1.498 13 residues pruned to eliminate duplicates Z: 20 16.950 1.928 0.457 0.789 0.895 0.579 CB 1.199 20 residues pruned to eliminate duplicates Z: 42 36.740 2.232 0.760 0.538 0.902 0.683 CB 1.558 42 residues pruned to eliminate duplicates Z: 15 25.191 2.278 0.399 0.913 1.000 0.929 CB 1.494 15 residues pruned to eliminate duplicates Z: 9 14.758 2.082 0.446 0.745 1.000 0.625 CB 1.392 9 residues pruned to eliminate duplicates Z: 17 23.092 1.991 0.353 0.925 1.000 1.000 CB 1.504 17 residues pruned to eliminate duplicates Z: 14 26.664 2.318 0.427 0.925 1.000 1.000 CB 1.569 14 residues pruned to eliminate duplicates Z: 30 33.200 2.165 0.852 0.645 0.897 0.655 CB 1.497 30 residues pruned to eliminate duplicates Z: 84 44.762 2.146 0.606 0.584 0.928 0.578 CB 1.417 72 residues pruned to eliminate duplicates Z: 26 14.449 2.140 0.817 0.315 0.760 0.520 CB 1.200 26 residues pruned to eliminate duplicates Z: 113 52.796 2.137 0.787 0.544 0.902 0.509 CB 1.387 113 residues pruned to eliminate duplicates Z: 32 26.765 2.105 0.673 0.591 0.871 0.774 CB 1.437 32 residues pruned to eliminate duplicates Z: 11 12.560 1.784 0.590 0.541 0.900 0.900 CB 1.493 12 residues pruned to eliminate duplicates Z: 18 30.066 2.089 0.581 0.937 1.000 0.941 CB 1.536 18 residues pruned to eliminate duplicates Z: 17 32.678 2.011 0.924 0.946 1.000 0.750 CB 1.460 17 residues pruned to eliminate duplicates Z: 31 32.866 2.179 0.660 0.634 0.900 0.700 CB 1.626 31 residues pruned to eliminate duplicates Z: 16 25.288 2.043 0.470 0.942 1.000 0.867 CB 1.508 16 residues pruned to eliminate duplicates Z: 16 25.695 2.151 0.778 0.800 0.867 0.733 CB 1.541 16 residues pruned to eliminate duplicates Z: 27 35.603 2.391 0.954 0.470 0.885 0.500 CB 1.742 27 residues pruned to eliminate duplicates Z: 10 11.516 1.809 0.641 0.637 0.889 0.778 CA 1.279 8 residues pruned to eliminate duplicates Z: 13 23.739 2.174 0.564 0.798 1.000 0.833 CB 1.553 13 residues pruned to eliminate duplicates Z: 14 29.464 2.199 0.680 0.936 1.000 0.846 CB 1.540 14 residues pruned to eliminate duplicates Z: 17 30.472 2.000 0.811 0.910 1.000 0.812 CB 1.492 17 residues pruned to eliminate duplicates Z: 18 30.929 1.963 0.870 0.919 1.000 0.882 CB 1.440 18 residues pruned to eliminate duplicates Z: 17 22.501 1.968 0.699 0.881 0.938 0.500 CB 1.299 17 residues pruned to eliminate duplicates Z: 37 33.974 2.252 0.632 0.482 0.917 0.639 CB 1.713 37 residues pruned to eliminate duplicates Z: 6 7.311 1.878 -0.128 0.761 1.000 1.000 C 1.583 Z: 25 27.030 2.087 0.883 0.563 0.917 0.750 CB 1.441 25 residues pruned to eliminate duplicates Z: 18 33.153 1.978 0.861 0.940 1.000 0.765 CB 1.516 18 residues pruned to eliminate duplicates Z: 32 36.918 2.334 0.711 0.549 0.935 0.645 CB 1.692 32 residues pruned to eliminate duplicates Z: 12 18.137 2.113 0.699 0.555 0.818 0.455 CB 1.764 Z: 36 32.254 2.246 0.717 0.448 0.914 0.657 CB 1.631 36 residues pruned to eliminate duplicates Z: 35 28.985 2.113 0.658 0.608 0.853 0.559 CB 1.501 51 residues pruned to eliminate duplicates Z: 21 25.940 2.214 0.519 0.797 0.950 0.650 CB 1.400 21 residues pruned to eliminate duplicates Z: 18 18.103 2.079 1.005 0.427 0.824 0.647 CB 1.379 18 residues pruned to eliminate duplicates Z: 16 16.469 2.302 0.660 0.441 0.733 0.400 CB 1.612 16 residues pruned to eliminate duplicates Z: 56 34.918 2.184 0.806 0.499 0.891 0.636 CB 1.342 56 residues pruned to eliminate duplicates Z: 61 45.739 2.166 0.852 0.609 0.917 0.567 CB 1.448 61 residues pruned to eliminate duplicates Z: 14 33.337 2.278 0.981 0.796 1.000 0.615 CB 1.581 14 residues pruned to eliminate duplicates Z: 18 20.908 2.241 0.930 0.353 0.941 0.647 CB 1.461 18 residues pruned to eliminate duplicates Z: 100 60.549 2.232 0.938 0.549 0.909 0.606 CB 1.475 100 residues pruned to eliminate duplicates Z: 14 14.373 2.086 0.531 0.394 0.923 0.538 CA 1.512 14 residues pruned to eliminate duplicates Z: 50 40.533 2.262 0.844 0.549 0.837 0.490 CB 1.582 50 residues pruned to eliminate duplicates Z: 21 33.360 2.211 0.643 0.919 0.950 0.850 CB 1.523 21 residues pruned to eliminate duplicates Z: 16 29.516 2.039 0.797 0.825 1.000 0.600 CB 1.570 16 residues pruned to eliminate duplicates Z: 20 20.325 2.026 0.698 0.487 0.895 0.737 CB 1.535 20 residues pruned to eliminate duplicates Z: 15 19.238 2.118 0.544 0.586 0.929 0.786 CB 1.558 15 residues pruned to eliminate duplicates Z: 16 37.528 2.228 1.072 0.822 1.000 0.600 CB 1.587 16 residues pruned to eliminate duplicates Z: 19 28.187 1.980 0.642 0.928 1.000 0.944 CA 1.431 19 residues pruned to eliminate duplicates Z: 17 12.935 1.846 0.500 0.606 0.875 0.688 CB 1.207 17 residues pruned to eliminate duplicates Z: 28 23.822 2.049 0.828 0.526 0.889 0.667 CB 1.342 28 residues pruned to eliminate duplicates Z: 26 26.181 2.072 0.929 0.573 0.880 0.680 CB 1.387 26 residues pruned to eliminate duplicates Z: 19 19.613 2.110 0.867 0.347 0.833 0.389 CB 1.663 19 residues pruned to eliminate duplicates Z: 13 28.649 2.345 0.490 0.923 1.000 1.000 CB 1.664 13 residues pruned to eliminate duplicates Z: 15 24.777 2.101 0.454 0.931 1.000 0.786 CB 1.514 15 residues pruned to eliminate duplicates Z: 24 34.337 2.349 0.860 0.561 0.913 0.609 CA 1.691 24 residues pruned to eliminate duplicates Z: 12 11.837 1.872 0.191 0.928 1.000 0.909 CB 1.121 Z: 13 22.534 2.237 0.868 0.463 1.000 0.750 CB 1.616 12 residues pruned to eliminate duplicates Z: 20 31.457 2.315 0.862 0.499 0.947 0.474 CB 1.770 20 residues pruned to eliminate duplicates Z: 100 52.705 2.118 0.757 0.564 0.939 0.646 CB 1.424 99 residues pruned to eliminate duplicates Z: 13 27.078 2.223 0.553 0.906 1.000 0.833 CA 1.611 13 residues pruned to eliminate duplicates Z: 17 22.955 1.970 0.452 0.905 1.000 0.875 CB 1.428 17 residues pruned to eliminate duplicates Z: 61 51.036 2.366 0.611 0.569 0.933 0.667 CB 1.733 61 residues pruned to eliminate duplicates Z: 19 32.447 1.951 0.891 0.911 1.000 0.889 CB 1.469 19 residues pruned to eliminate duplicates Z: 40 43.551 2.255 0.880 0.640 0.923 0.667 CB 1.563 40 residues pruned to eliminate duplicates Z: 14 9.021 1.776 0.616 0.412 0.692 0.462 CB 1.382 14 residues pruned to eliminate duplicates Z: 13 4.837 1.583 0.838 0.337 0.750 0.417 CB 0.764 Z: 37 19.662 2.010 0.746 0.454 0.833 0.444 CB 1.174 37 residues pruned to eliminate duplicates Z: 18 29.033 2.028 0.647 0.951 1.000 0.941 CA 1.453 18 residues pruned to eliminate duplicates Z: 7 10.512 1.765 0.680 0.856 1.000 0.667 CB 1.067 7 residues pruned to eliminate duplicates Z: 11 6.765 1.687 0.141 0.535 1.000 0.500 CB 1.074 Z: 14 19.738 2.082 0.672 0.797 0.846 0.615 CB 1.433 14 residues pruned to eliminate duplicates Z: 29 30.170 2.185 0.626 0.610 0.929 0.750 CB 1.556 29 residues pruned to eliminate duplicates Z: 17 30.559 2.021 0.749 0.946 1.000 0.938 CB 1.496 17 residues pruned to eliminate duplicates Z: 33 36.498 2.356 0.812 0.511 0.906 0.719 CB 1.649 33 residues pruned to eliminate duplicates Z: 45 47.352 2.321 0.973 0.574 0.909 0.591 CB 1.597 45 residues pruned to eliminate duplicates Z: 7 5.095 2.062 0.045 0.147 0.833 0.500 CA 1.789 7 residues pruned to eliminate duplicates Z: 9 16.460 2.257 0.845 0.363 1.000 0.625 CA 1.619 9 residues pruned to eliminate duplicates Z: 14 36.093 2.268 1.038 0.842 1.000 0.615 CB 1.614 14 residues pruned to eliminate duplicates Z: 14 13.923 1.913 0.433 0.644 0.846 0.462 CB 1.455 14 residues pruned to eliminate duplicates Z: 13 26.617 2.086 0.963 0.877 0.917 0.667 CB 1.487 13 residues pruned to eliminate duplicates Z: 12 33.456 2.156 1.312 0.862 1.000 0.909 CA 1.485 12 residues pruned to eliminate duplicates Z: 8 3.483 1.633 0.109 0.212 0.857 0.429 CB 1.191 Z: 11 24.182 2.236 0.880 0.747 0.900 0.700 CB 1.620 11 residues pruned to eliminate duplicates Z: 21 40.858 2.227 0.946 0.913 0.950 0.700 CB 1.570 21 residues pruned to eliminate duplicates Z: 18 30.231 1.965 0.849 0.912 1.000 0.765 CB 1.429 18 residues pruned to eliminate duplicates Z: 7 7.142 2.051 0.365 0.585 0.667 0.667 CB 1.440 7 residues pruned to eliminate duplicates Z: 13 15.415 1.925 0.891 0.866 1.000 0.667 CB 0.895 13 residues pruned to eliminate duplicates Z: 101 61.592 2.220 0.957 0.554 0.890 0.590 CB 1.511 101 residues pruned to eliminate duplicates Z: 14 12.443 1.846 0.220 0.908 1.000 0.769 CB 1.088 14 residues pruned to eliminate duplicates Z: 23 27.779 2.310 0.460 0.672 0.955 0.727 CB 1.570 23 residues pruned to eliminate duplicates Z: 31 37.833 2.370 0.824 0.484 0.933 0.533 CB 1.740 31 residues pruned to eliminate duplicates Z: 42 40.999 2.244 0.796 0.595 0.927 0.634 CB 1.566 42 residues pruned to eliminate duplicates Z: 17 25.259 1.961 0.548 0.914 1.000 0.625 CB 1.471 17 residues pruned to eliminate duplicates Z: 6 7.673 1.857 0.918 0.667 0.800 0.600 CB 1.032 6 residues pruned to eliminate duplicates Z: 41 29.946 2.330 0.610 0.376 0.900 0.350 CB 1.601 41 residues pruned to eliminate duplicates Z: 50 30.605 2.157 0.701 0.517 0.878 0.510 CB 1.336 50 residues pruned to eliminate duplicates Z: 44 40.519 2.261 0.946 0.587 0.884 0.419 CB 1.462 44 residues pruned to eliminate duplicates Z: 7 6.033 1.741 0.105 0.685 1.000 0.833 CB 1.080 Z: 18 16.343 2.138 0.702 0.572 0.824 0.471 CB 1.234 Z: 21 36.795 2.193 0.798 0.929 1.000 0.850 CB 1.460 21 residues pruned to eliminate duplicates Z: 16 20.307 2.054 0.303 0.931 1.000 0.800 CA 1.369 16 residues pruned to eliminate duplicates Z: 8 6.270 1.858 0.122 0.624 1.000 0.714 CB 1.011 Z: 20 28.538 2.253 0.669 0.807 0.947 0.632 CB 1.407 20 residues pruned to eliminate duplicates Z: 20 34.101 2.240 0.651 0.899 0.947 0.789 CB 1.596 20 residues pruned to eliminate duplicates Z: 45 32.748 2.302 0.769 0.426 0.886 0.568 CB 1.478 45 residues pruned to eliminate duplicates Z: 20 37.482 2.234 0.758 0.924 1.000 0.737 CB 1.537 20 residues pruned to eliminate duplicates Z: 29 19.713 1.981 0.692 0.472 0.857 0.643 CB 1.334 29 residues pruned to eliminate duplicates Z: 31 34.079 2.249 0.812 0.593 0.867 0.567 CB 1.611 31 residues pruned to eliminate duplicates Z: 42 38.694 2.166 0.782 0.602 0.951 0.585 CB 1.494 42 residues pruned to eliminate duplicates Z: 13 22.277 2.083 0.468 0.879 1.000 0.750 CB 1.525 13 residues pruned to eliminate duplicates Z: 23 15.818 1.959 0.496 0.499 0.864 0.545 CB 1.335 23 residues pruned to eliminate duplicates Z: 6 6.535 1.658 0.409 0.790 0.800 0.800 O 1.212 6 residues pruned to eliminate duplicates Z: 6 7.231 1.861 0.032 0.684 1.000 0.800 CB 1.421 6 residues pruned to eliminate duplicates Z: 14 32.016 2.134 0.753 0.928 1.000 0.692 CB 1.662 14 residues pruned to eliminate duplicates Z: 44 36.880 2.097 0.907 0.671 0.907 0.721 CB 1.324 44 residues pruned to eliminate duplicates Z: 7 8.735 1.577 0.501 0.825 1.000 0.833 CA 1.137 7 residues pruned to eliminate duplicates Z: 15 25.672 2.259 0.545 0.828 0.929 0.571 CB 1.594 15 residues pruned to eliminate duplicates Z: 33 33.187 2.152 0.646 0.821 0.906 0.750 CB 1.383 33 residues pruned to eliminate duplicates Z: 9 15.539 2.266 0.749 0.575 1.000 0.875 CB 1.290 9 residues pruned to eliminate duplicates Z: 7 10.936 1.846 0.447 0.887 1.000 0.667 CA 1.205 7 residues pruned to eliminate duplicates Z: 21 33.956 2.230 0.806 0.843 0.950 0.800 CB 1.478 21 residues pruned to eliminate duplicates Z: 34 28.910 2.119 0.834 0.511 0.909 0.545 CB 1.408 34 residues pruned to eliminate duplicates Z: 27 25.570 2.071 0.861 0.521 0.923 0.769 CB 1.381 27 residues pruned to eliminate duplicates Z: 9 8.607 1.562 0.368 0.870 1.000 0.625 CB 1.039 9 residues pruned to eliminate duplicates Z: 9 5.438 2.036 0.422 0.431 0.750 0.375 CB 0.951 9 residues pruned to eliminate duplicates Z: 16 26.425 2.042 0.507 0.945 1.000 0.867 CB 1.535 16 residues pruned to eliminate duplicates Z: 11 6.045 1.740 0.575 0.268 0.700 0.500 CA 1.297 11 residues pruned to eliminate duplicates Z: 10 26.589 2.536 0.783 0.848 0.889 0.667 CA 1.636 10 residues pruned to eliminate duplicates Z: 81 54.754 2.208 0.899 0.570 0.925 0.575 CB 1.475 81 residues pruned to eliminate duplicates Z: 24 35.637 2.336 0.791 0.604 0.957 0.609 CB 1.682 24 residues pruned to eliminate duplicates Z: 14 22.347 2.200 0.810 0.523 1.000 0.769 CB 1.521 14 residues pruned to eliminate duplicates Z: 13 18.402 2.076 0.457 0.598 1.000 0.750 CB 1.600 13 residues pruned to eliminate duplicates Z: 15 29.334 2.176 0.624 0.829 1.000 0.857 CB 1.669 15 residues pruned to eliminate duplicates Z: 16 23.857 1.966 0.795 0.871 1.000 0.800 CB 1.273 16 residues pruned to eliminate duplicates Z: 17 24.162 1.944 0.918 0.837 0.938 0.625 CB 1.293 17 residues pruned to eliminate duplicates Z: 28 29.192 2.325 0.711 0.474 0.852 0.630 CB 1.702 28 residues pruned to eliminate duplicates Z: 56 43.838 2.099 1.010 0.673 0.909 0.545 CB 1.313 56 residues pruned to eliminate duplicates Z: 36 39.878 2.237 1.025 0.589 0.914 0.600 CB 1.495 36 residues pruned to eliminate duplicates Z: 26 22.016 1.888 0.922 0.576 0.880 0.240 CB 1.282 26 residues pruned to eliminate duplicates Z: 10 10.629 1.996 0.736 0.889 1.000 0.889 CB 0.736 10 residues pruned to eliminate duplicates Z: 36 24.608 1.920 0.713 0.579 0.886 0.657 CB 1.324 36 residues pruned to eliminate duplicates Z: 8 4.271 1.332 0.601 0.557 0.714 0.571 C 1.003 8 residues pruned to eliminate duplicates Z: 15 31.260 2.254 0.614 0.914 1.000 1.000 CA 1.624 15 residues pruned to eliminate duplicates Z: 36 34.832 2.146 0.959 0.457 0.914 0.571 CB 1.601 36 residues pruned to eliminate duplicates Z: 9 2.744 1.548 0.056 0.321 0.875 0.375 N 0.826 Z: 6 4.319 1.643 0.614 0.483 0.600 0.600 O 1.236 6 residues pruned to eliminate duplicates Z: 6 4.692 1.595 0.915 0.503 0.600 0.600 C 1.141 6 residues pruned to eliminate duplicates Z: 11 12.467 1.838 0.314 0.786 1.000 0.500 CA 1.269 11 residues pruned to eliminate duplicates Z: 11 7.642 1.887 0.583 0.369 0.800 0.700 CB 1.164 8 residues pruned to eliminate duplicates Z: 8 4.340 1.786 -0.192 0.567 1.000 0.714 CB 1.065 Z: 24 33.744 2.183 0.664 0.841 1.000 0.783 CB 1.444 24 residues pruned to eliminate duplicates Z: 8 8.987 1.651 0.321 0.896 1.000 1.000 CA 1.115 8 residues pruned to eliminate duplicates Z: 38 48.168 2.342 0.577 0.878 0.973 0.784 CB 1.599 38 residues pruned to eliminate duplicates Z: 23 16.069 2.207 0.501 0.319 0.818 0.500 CB 1.544 23 residues pruned to eliminate duplicates Z: 24 35.342 2.229 0.700 0.869 0.913 0.783 CB 1.555 24 residues pruned to eliminate duplicates Z: 10 11.090 1.924 0.353 0.498 1.000 0.667 CB 1.424 10 residues pruned to eliminate duplicates Z: 36 38.847 2.115 0.672 0.837 1.000 0.714 CB 1.389 36 residues pruned to eliminate duplicates Z: 15 21.557 1.976 1.424 0.547 0.786 0.714 CB 1.463 15 residues pruned to eliminate duplicates Z: 13 26.638 2.171 0.680 0.941 1.000 0.333 CB 1.463 13 residues pruned to eliminate duplicates Z: 73 55.803 2.241 0.932 0.595 0.917 0.625 CB 1.513 73 residues pruned to eliminate duplicates Z: 19 15.645 2.064 0.746 0.484 0.833 0.444 CB 1.248 19 residues pruned to eliminate duplicates Z: 13 14.716 2.024 0.677 0.899 0.917 0.667 CB 0.976 13 residues pruned to eliminate duplicates Z: 16 23.928 2.035 0.437 0.917 1.000 0.867 CB 1.491 16 residues pruned to eliminate duplicates Z: 60 32.066 2.022 0.691 0.574 0.847 0.610 CB 1.341 60 residues pruned to eliminate duplicates Z: 18 31.861 1.979 0.879 0.929 1.000 0.941 CB 1.454 18 residues pruned to eliminate duplicates Z: 14 27.474 2.240 1.239 0.603 0.923 0.692 CB 1.492 14 residues pruned to eliminate duplicates Z: 21 22.555 2.097 0.688 0.527 0.850 0.500 CB 1.633 21 residues pruned to eliminate duplicates Z: 107 55.192 2.129 0.807 0.556 0.925 0.585 CB 1.428 108 residues pruned to eliminate duplicates Z: 13 29.694 2.280 0.649 0.920 1.000 1.000 CB 1.606 13 residues pruned to eliminate duplicates Z: 12 9.683 1.690 0.463 0.744 0.818 0.727 CB 1.160 12 residues pruned to eliminate duplicates Z: 20 31.390 2.275 0.736 0.869 0.895 0.737 CB 1.489 20 residues pruned to eliminate duplicates Z: 88 51.613 2.124 0.884 0.560 0.920 0.494 CB 1.418 88 residues pruned to eliminate duplicates Z: 63 45.289 2.182 0.912 0.573 0.871 0.677 CB 1.475 63 residues pruned to eliminate duplicates Z: 17 29.687 2.101 0.672 0.950 1.000 0.812 CB 1.457 17 residues pruned to eliminate duplicates Z: 20 19.581 1.976 0.972 0.439 0.842 0.526 CB 1.458 20 residues pruned to eliminate duplicates Z: 52 33.461 2.150 0.894 0.484 0.902 0.529 CB 1.297 52 residues pruned to eliminate duplicates Z: 19 29.910 2.207 0.915 0.569 0.889 0.667 CA 1.755 19 residues pruned to eliminate duplicates Z: 96 50.731 2.108 0.793 0.561 0.916 0.600 CB 1.417 96 residues pruned to eliminate duplicates Z: 85 58.473 2.301 0.865 0.588 0.905 0.726 CB 1.511 85 residues pruned to eliminate duplicates Z: 8 8.461 1.837 0.857 0.347 0.714 0.571 CA 1.550 8 residues pruned to eliminate duplicates Z: 33 35.780 2.307 0.698 0.554 0.906 0.750 CB 1.690 33 residues pruned to eliminate duplicates Z: 10 8.268 1.681 0.681 0.519 1.000 0.556 CB 0.957 10 residues pruned to eliminate duplicates Z: 34 34.447 2.221 0.750 0.633 0.909 0.545 CB 1.498 34 residues pruned to eliminate duplicates Z: 11 11.926 1.808 0.457 0.786 1.000 0.500 CB 1.113 11 residues pruned to eliminate duplicates Z: 51 39.182 2.147 0.922 0.581 0.920 0.580 CB 1.350 51 residues pruned to eliminate duplicates Z: 14 33.259 2.316 0.863 0.823 1.000 0.769 CB 1.616 14 residues pruned to eliminate duplicates Z: 34 27.002 2.089 0.591 0.533 0.939 0.667 CB 1.457 34 residues pruned to eliminate duplicates Z: 36 38.294 2.147 0.647 0.858 0.971 0.714 CB 1.388 36 residues pruned to eliminate duplicates Z: 135 62.456 2.182 0.694 0.595 0.910 0.642 CB 1.464 135 residues pruned to eliminate duplicates Z: 15 28.648 2.113 0.619 0.925 1.000 0.929 CB 1.570 15 residues pruned to eliminate duplicates Z: 7 4.886 1.476 0.841 0.671 0.667 0.500 CA 0.940 Z: 101 64.929 2.225 0.924 0.564 0.940 0.580 CB 1.516 101 residues pruned to eliminate duplicates Z: 19 7.311 1.845 0.467 0.287 0.722 0.389 CB 1.120 19 residues pruned to eliminate duplicates Z: 19 13.529 1.908 0.469 0.747 0.944 0.667 CB 0.966 19 residues pruned to eliminate duplicates Z: 14 32.221 2.270 0.831 0.818 1.000 0.615 CB 1.631 14 residues pruned to eliminate duplicates Z: 6 4.596 1.850 -0.176 0.485 1.000 0.600 N 1.370 6 residues pruned to eliminate duplicates Z: 24 17.844 1.972 0.703 0.386 0.870 0.609 CB 1.438 24 residues pruned to eliminate duplicates Z: 18 14.462 1.741 0.709 0.581 0.824 0.647 CB 1.324 18 residues pruned to eliminate duplicates Z: 27 41.720 2.431 0.709 0.696 0.923 0.615 CB 1.784 27 residues pruned to eliminate duplicates Z: 12 33.068 2.227 1.095 0.913 0.909 0.727 CB 1.663 12 residues pruned to eliminate duplicates Z: 22 40.684 2.376 0.916 0.671 0.905 0.619 CB 1.840 22 residues pruned to eliminate duplicates Z: 17 10.168 1.784 0.703 0.373 0.750 0.688 CB 1.278 12 residues pruned to eliminate duplicates Z: 30 30.899 2.302 0.787 0.634 0.897 0.655 CB 1.372 30 residues pruned to eliminate duplicates Z: 16 16.915 1.803 0.476 0.931 1.000 0.867 CB 1.147 12 residues pruned to eliminate duplicates Z: 6 3.772 1.592 0.369 0.611 1.000 0.600 CB 0.696 Z: 17 27.256 1.982 0.661 0.936 1.000 0.562 CB 1.442 17 residues pruned to eliminate duplicates Z: 10 8.909 1.912 0.716 0.449 0.889 0.333 CB 1.074 10 residues pruned to eliminate duplicates Z: 14 35.020 2.230 1.073 0.909 1.000 0.538 CB 1.492 14 residues pruned to eliminate duplicates Z: 8 18.675 2.233 0.678 0.719 1.000 0.571 CA 1.545 8 residues pruned to eliminate duplicates Z: 12 44.442 2.450 1.314 0.940 1.000 0.545 CB 1.642 12 residues pruned to eliminate duplicates Z: 13 18.067 2.161 0.564 0.440 0.917 0.500 CA 1.792 13 residues pruned to eliminate duplicates Z: 15 28.744 2.248 0.638 0.856 1.000 0.857 CB 1.539 15 residues pruned to eliminate duplicates Z: 56 47.584 2.331 0.685 0.652 0.927 0.673 CB 1.529 56 residues pruned to eliminate duplicates Z: 23 20.186 2.158 1.014 0.461 0.864 0.545 CB 1.193 23 residues pruned to eliminate duplicates Z: 6 6.777 1.565 0.546 0.806 0.800 0.600 CB 1.199 6 residues pruned to eliminate duplicates Z: 12 24.626 2.397 0.739 0.541 1.000 0.727 CA 1.711 12 residues pruned to eliminate duplicates Z: 31 30.907 2.281 0.817 0.452 0.867 0.633 CB 1.651 31 residues pruned to eliminate duplicates Z: 37 27.625 2.238 0.566 0.495 0.889 0.611 CB 1.485 37 residues pruned to eliminate duplicates Z: 23 33.774 2.320 0.998 0.492 0.864 0.500 CB 1.814 23 residues pruned to eliminate duplicates Z: 61 46.346 2.151 0.989 0.603 0.933 0.583 CB 1.359 61 residues pruned to eliminate duplicates Z: 15 15.049 1.962 0.814 0.460 0.857 0.643 CB 1.373 Z: 20 40.042 2.247 0.884 0.907 1.000 0.789 CB 1.542 20 residues pruned to eliminate duplicates Z: 16 24.559 2.151 0.768 0.668 0.933 0.667 CB 1.530 16 residues pruned to eliminate duplicates Z: 16 17.562 1.999 0.123 0.935 0.933 0.933 CB 1.508 16 residues pruned to eliminate duplicates Z: 24 25.518 2.250 0.536 0.508 0.957 0.565 CA 1.597 24 residues pruned to eliminate duplicates Z: 16 24.749 1.994 0.479 0.912 1.000 0.867 CB 1.535 16 residues pruned to eliminate duplicates Z: 17 31.588 2.041 1.094 0.903 1.000 0.562 CB 1.317 17 residues pruned to eliminate duplicates Z: 16 12.863 1.772 0.122 0.917 1.000 0.867 CB 1.179 16 residues pruned to eliminate duplicates Z: 54 45.673 2.300 0.796 0.517 0.943 0.623 CB 1.583 54 residues pruned to eliminate duplicates Z: 27 17.108 1.861 0.601 0.506 0.885 0.654 CB 1.265 27 residues pruned to eliminate duplicates Z: 16 26.736 1.954 0.749 0.918 0.933 0.467 CB 1.526 16 residues pruned to eliminate duplicates Z: 17 28.040 2.059 0.594 0.933 1.000 0.938 CB 1.490 17 residues pruned to eliminate duplicates Z: 37 29.732 2.109 0.773 0.467 0.889 0.611 CB 1.542 37 residues pruned to eliminate duplicates Z: 15 4.099 1.589 -0.090 0.422 0.857 0.500 CB 0.959 10 residues pruned to eliminate duplicates Z: 13 17.800 2.018 0.729 0.847 0.917 0.583 CB 1.192 13 residues pruned to eliminate duplicates Z: 16 50.562 2.193 1.537 0.913 1.000 0.533 CB 1.660 16 residues pruned to eliminate duplicates Z: 6 12.584 2.087 0.711 0.770 0.800 0.800 CB 1.551 6 residues pruned to eliminate duplicates Z: 37 45.235 2.312 0.678 0.867 0.917 0.667 CB 1.551 37 residues pruned to eliminate duplicates Z: 71 50.150 2.256 0.950 0.533 0.914 0.429 CB 1.443 71 residues pruned to eliminate duplicates Z: 13 14.638 2.039 0.666 0.905 0.917 0.750 CB 0.966 13 residues pruned to eliminate duplicates Z: 15 15.663 1.851 0.308 0.928 1.000 0.929 CB 1.212 15 residues pruned to eliminate duplicates Z: 14 29.213 2.354 0.721 0.689 0.923 0.846 CB 1.821 14 residues pruned to eliminate duplicates Z: 55 46.146 2.181 0.874 0.648 0.870 0.667 CB 1.537 33 residues pruned to eliminate duplicates Z: 59 31.100 1.952 0.756 0.505 0.845 0.672 CB 1.403 59 residues pruned to eliminate duplicates Z: 14 15.900 2.117 0.478 0.548 0.923 0.692 CB 1.457 32 residues pruned to eliminate duplicates Z: 12 22.733 2.178 0.683 0.800 0.909 0.818 CB 1.581 12 residues pruned to eliminate duplicates Z: 60 41.535 2.128 0.908 0.594 0.915 0.441 CB 1.329 60 residues pruned to eliminate duplicates Z: 8 5.102 1.726 0.354 0.212 0.857 0.571 CB 1.352 8 residues pruned to eliminate duplicates Z: 28 38.616 2.433 1.004 0.481 0.926 0.593 CB 1.678 28 residues pruned to eliminate duplicates Z: 6 8.708 1.825 0.445 0.759 1.000 0.600 CA 1.173 Z: 10 17.006 2.032 0.829 0.510 0.889 0.667 CA 1.699 10 residues pruned to eliminate duplicates Z: 14 24.549 2.235 0.552 0.754 0.923 0.692 CB 1.697 14 residues pruned to eliminate duplicates Z: 25 21.113 1.925 0.623 0.547 0.917 0.667 CB 1.437 25 residues pruned to eliminate duplicates Z: 21 7.109 1.803 0.471 0.241 0.600 0.300 CB 1.349 21 residues pruned to eliminate duplicates Z: 10 14.323 1.876 0.503 0.780 1.000 0.556 CB 1.322 10 residues pruned to eliminate duplicates 7 1.691 1.228 0.412 0.370 0.667 0.500 CB 0.687 ? Z: 17 11.127 1.772 0.469 0.455 0.875 0.625 CB 1.279 17 residues pruned to eliminate duplicates Z: 16 29.478 2.147 0.906 0.849 0.933 0.600 CB 1.477 16 residues pruned to eliminate duplicates Z: 20 26.256 2.112 0.643 0.672 0.947 0.632 CA 1.563 20 residues pruned to eliminate duplicates Z: 7 5.982 1.726 0.272 0.543 0.833 0.667 CB 1.281 5 residues pruned to eliminate duplicates Z: 84 49.898 2.149 0.739 0.668 0.916 0.663 CB 1.370 84 residues pruned to eliminate duplicates Z: 7 9.936 1.914 0.607 0.396 1.000 0.667 CA 1.471 7 residues pruned to eliminate duplicates Z: 38 37.889 2.138 0.789 0.660 0.946 0.649 CB 1.485 38 residues pruned to eliminate duplicates Z: 19 50.608 2.419 1.128 0.915 0.944 0.722 CB 1.733 19 residues pruned to eliminate duplicates Z: 16 13.725 1.808 0.696 0.417 0.933 0.467 CB 1.350 17 residues pruned to eliminate duplicates Z: 29 46.739 2.476 0.993 0.581 1.000 0.821 CB 1.656 29 residues pruned to eliminate duplicates Z: 37 37.166 2.273 0.797 0.543 0.917 0.611 CB 1.586 37 residues pruned to eliminate duplicates Z: 34 31.480 2.166 0.740 0.640 0.909 0.667 CB 1.403 34 residues pruned to eliminate duplicates Z: 38 53.144 2.319 0.884 0.858 0.892 0.703 CB 1.651 38 residues pruned to eliminate duplicates Z: 21 46.058 2.408 0.733 0.903 1.000 0.800 CA 1.760 21 residues pruned to eliminate duplicates Z: 33 28.981 2.212 0.521 0.530 0.906 0.594 CB 1.631 33 residues pruned to eliminate duplicates Z: 9 13.455 2.136 0.769 0.447 0.875 0.500 CB 1.519 9 residues pruned to eliminate duplicates Z: 58 45.602 2.153 0.848 0.584 0.912 0.702 CB 1.535 58 residues pruned to eliminate duplicates Z: 19 21.274 1.899 0.977 0.530 0.944 0.667 CB 1.373 19 residues pruned to eliminate duplicates Z: 21 24.545 2.249 0.687 0.499 0.900 0.750 CA 1.610 21 residues pruned to eliminate duplicates Z: 27 30.366 2.386 0.775 0.400 0.923 0.462 CB 1.692 27 residues pruned to eliminate duplicates Z: 9 17.490 1.940 0.717 0.804 1.000 0.875 CA 1.424 9 residues pruned to eliminate duplicates Z: 14 37.538 2.277 1.049 0.824 1.000 0.615 CB 1.685 14 residues pruned to eliminate duplicates Z: 17 31.625 2.114 0.814 0.933 1.000 0.812 CB 1.439 17 residues pruned to eliminate duplicates Z: 78 49.415 2.182 0.833 0.586 0.883 0.558 CB 1.468 78 residues pruned to eliminate duplicates Z: 11 15.140 1.908 0.394 0.670 1.000 0.800 CB 1.539 11 residues pruned to eliminate duplicates Z: 13 12.625 1.904 0.417 0.935 0.917 0.750 CB 1.027 13 residues pruned to eliminate duplicates 7 1.254 1.507 0.220 0.190 0.500 0.333 CB 0.807 ? Z: 83 54.725 2.258 0.882 0.550 0.915 0.573 CB 1.481 83 residues pruned to eliminate duplicates Z: 7 4.477 1.630 0.223 0.249 1.000 0.833 CB 1.224 7 residues pruned to eliminate duplicates Z: 18 24.764 2.021 0.480 0.932 1.000 0.941 CB 1.402 18 residues pruned to eliminate duplicates Z: 10 8.166 1.692 0.447 0.535 0.889 0.667 CB 1.208 10 residues pruned to eliminate duplicates Z: 12 14.366 2.083 0.425 0.915 1.000 0.727 CB 1.031 12 residues pruned to eliminate duplicates Z: 11 23.750 2.254 1.065 0.602 0.900 0.700 CB 1.627 13 residues pruned to eliminate duplicates Z: 14 18.934 1.902 1.022 0.568 0.923 0.615 CB 1.385 14 residues pruned to eliminate duplicates Z: 17 14.114 1.826 0.786 0.538 0.750 0.750 CB 1.390 17 residues pruned to eliminate duplicates Z: 19 21.985 2.082 0.583 0.482 1.000 0.778 CB 1.602 19 residues pruned to eliminate duplicates Z: 9 9.978 2.143 0.339 0.624 0.750 0.250 CA 1.457 9 residues pruned to eliminate duplicates Z: 9 3.924 1.717 -0.124 0.686 1.000 1.000 CB 0.778 Z: 7 5.933 1.832 -0.114 0.901 1.000 0.833 CB 1.065 7 residues pruned to eliminate duplicates Z: 6 6.117 1.661 0.359 0.467 1.000 0.800 CB 1.253 Z: 12 15.239 1.909 0.709 0.474 0.909 0.636 CB 1.591 12 residues pruned to eliminate duplicates Z: 13 13.556 1.995 0.564 0.451 1.000 0.750 CB 1.320 13 residues pruned to eliminate duplicates Z: 15 28.993 2.042 0.673 0.939 1.000 0.786 CB 1.576 15 residues pruned to eliminate duplicates Z: 16 24.148 2.096 0.504 0.923 0.933 0.867 CA 1.488 16 residues pruned to eliminate duplicates Z: 6 5.686 1.907 -0.170 0.794 1.000 0.800 CB 1.242 4 residues pruned to eliminate duplicates Z: 16 9.777 1.721 -0.053 0.933 1.000 0.933 CB 1.081 16 residues pruned to eliminate duplicates Z: 14 18.568 2.122 0.676 0.481 0.923 0.846 CB 1.600 14 residues pruned to eliminate duplicates Z: 35 29.343 2.070 0.673 0.811 0.941 0.735 CB 1.178 35 residues pruned to eliminate duplicates Z: 8 2.760 1.347 0.195 0.437 0.857 0.286 C 0.807 Z: 17 16.950 1.897 0.657 0.546 0.938 0.688 CB 1.374 17 residues pruned to eliminate duplicates Z: 12 13.185 1.994 0.908 0.455 0.818 0.636 CB 1.338 12 residues pruned to eliminate duplicates Z: 96 51.003 2.129 0.728 0.590 0.937 0.642 CB 1.393 96 residues pruned to eliminate duplicates Z: 14 25.785 2.090 0.616 0.928 1.000 1.000 CB 1.483 14 residues pruned to eliminate duplicates Z: 46 41.106 2.174 0.742 0.629 0.889 0.644 CB 1.612 46 residues pruned to eliminate duplicates Z: 18 32.214 2.032 0.879 0.929 1.000 0.765 CB 1.432 18 residues pruned to eliminate duplicates Z: 17 8.405 1.955 0.491 0.372 0.812 0.438 CB 1.017 17 residues pruned to eliminate duplicates Z: 10 11.204 1.944 0.254 0.911 1.000 0.889 CB 1.086 10 residues pruned to eliminate duplicates Z: 8 8.248 1.736 0.197 0.886 1.000 0.857 CA 1.082 8 residues pruned to eliminate duplicates Z: 14 20.485 2.041 0.522 0.847 0.923 0.385 CA 1.470 14 residues pruned to eliminate duplicates Z: 17 15.065 1.826 0.623 0.485 0.875 0.562 CB 1.474 20 residues pruned to eliminate duplicates Z: 55 39.504 2.245 0.566 0.572 0.944 0.648 CB 1.511 55 residues pruned to eliminate duplicates Z: 54 47.273 2.243 0.762 0.638 0.943 0.604 CB 1.531 54 residues pruned to eliminate duplicates Z: 37 47.283 2.323 0.625 0.849 1.000 0.639 CB 1.548 37 residues pruned to eliminate duplicates Z: 16 24.017 2.126 0.515 0.821 1.000 0.667 CB 1.457 16 residues pruned to eliminate duplicates Z: 16 22.241 2.023 0.352 0.928 1.000 0.600 CB 1.470 16 residues pruned to eliminate duplicates Z: 14 8.509 2.017 0.400 0.394 0.769 0.385 CB 1.216 14 residues pruned to eliminate duplicates Z: 17 14.429 1.974 0.860 0.516 0.750 0.500 CB 1.289 17 residues pruned to eliminate duplicates Z: 6 8.047 1.915 0.569 0.806 1.000 1.000 CB 0.917 7 residues pruned to eliminate duplicates Z: 14 15.534 1.965 0.552 0.561 0.923 0.692 CB 1.443 14 residues pruned to eliminate duplicates Z: 28 28.590 2.266 0.764 0.429 0.889 0.370 CB 1.668 28 residues pruned to eliminate duplicates Z: 13 25.830 2.230 0.806 0.645 0.917 0.833 CB 1.764 13 residues pruned to eliminate duplicates Z: 17 12.454 1.703 0.191 0.908 1.000 0.875 CB 1.091 16 residues pruned to eliminate duplicates Z: 9 8.009 1.977 -0.099 0.834 1.000 0.750 CB 1.192 9 residues pruned to eliminate duplicates Z: 14 18.846 1.911 0.976 0.565 0.923 0.692 CB 1.408 14 residues pruned to eliminate duplicates Z: 9 10.461 1.825 0.709 0.641 0.875 0.500 CB 1.188 Z: 14 35.638 2.303 0.930 0.941 1.000 1.000 CB 1.543 14 residues pruned to eliminate duplicates Z: 85 54.104 2.167 0.942 0.519 0.905 0.560 CB 1.522 85 residues pruned to eliminate duplicates Z: 12 7.651 1.936 0.368 0.343 0.727 0.545 CB 1.420 12 residues pruned to eliminate duplicates Z: 11 18.663 2.210 1.366 0.505 0.800 0.600 CB 1.404 11 residues pruned to eliminate duplicates Z: 11 12.138 1.724 0.574 0.851 1.000 0.800 CB 1.047 11 residues pruned to eliminate duplicates Z: 62 51.379 2.266 0.851 0.564 0.951 0.557 CB 1.550 62 residues pruned to eliminate duplicates Z: 73 51.645 2.219 0.887 0.584 0.903 0.569 CB 1.486 73 residues pruned to eliminate duplicates Z: 12 7.156 2.067 0.099 0.168 0.818 0.455 CA 1.738 12 residues pruned to eliminate duplicates Z: 31 31.441 2.183 0.594 0.565 1.000 0.700 CB 1.548 33 residues pruned to eliminate duplicates Z: 49 26.641 1.889 0.715 0.539 0.917 0.667 CB 1.246 49 residues pruned to eliminate duplicates Z: 11 12.355 2.007 0.475 0.916 1.000 1.000 CB 0.932 11 residues pruned to eliminate duplicates Z: 26 22.888 2.048 0.729 0.540 0.920 0.640 CB 1.351 26 residues pruned to eliminate duplicates Z: 15 8.794 1.729 0.326 0.735 0.857 0.786 CB 0.968 15 residues pruned to eliminate duplicates Z: 7 4.621 1.454 0.332 0.501 0.833 0.333 C 1.167 Z: 18 28.046 2.005 0.580 0.936 1.000 0.882 CA 1.496 18 residues pruned to eliminate duplicates Z: 13 25.316 2.205 1.216 0.717 0.917 0.833 CB 1.340 13 residues pruned to eliminate duplicates Z: 54 30.189 2.114 0.598 0.539 0.887 0.585 CB 1.332 54 residues pruned to eliminate duplicates Z: 10 15.886 1.838 0.470 0.840 1.000 0.556 CB 1.463 10 residues pruned to eliminate duplicates 6 1.570 1.424 0.495 0.497 0.800 0.600 CB 0.414 ? Z: 14 14.438 1.755 0.466 0.938 0.923 0.692 CB 1.173 14 residues pruned to eliminate duplicates Z: 7 3.586 1.739 -0.060 0.423 0.833 0.500 N 1.165 5 residues pruned to eliminate duplicates Z: 29 44.852 2.351 0.868 0.641 0.964 0.714 CB 1.754 29 residues pruned to eliminate duplicates Z: 35 38.019 2.169 0.715 0.863 0.941 0.735 CB 1.366 35 residues pruned to eliminate duplicates Z: 25 18.892 1.847 0.673 0.578 0.917 0.750 CB 1.262 25 residues pruned to eliminate duplicates Z: 8 4.177 2.091 0.574 0.319 0.571 0.429 CB 1.025 8 residues pruned to eliminate duplicates Z: 32 39.037 2.306 0.784 0.608 0.968 0.710 CB 1.590 32 residues pruned to eliminate duplicates Z: 46 21.146 1.998 0.566 0.469 0.778 0.489 CB 1.336 46 residues pruned to eliminate duplicates Z: 30 41.338 2.296 0.854 0.631 0.966 0.724 CB 1.651 30 residues pruned to eliminate duplicates Z: 31 27.025 2.118 0.830 0.509 0.800 0.600 CB 1.577 31 residues pruned to eliminate duplicates Z: 6 5.405 1.711 0.553 0.685 0.600 0.600 CB 1.279 6 residues pruned to eliminate duplicates Z: 8 6.012 1.636 0.673 0.607 0.857 0.143 CB 0.874 8 residues pruned to eliminate duplicates Z: 11 7.547 1.713 0.679 0.439 0.800 0.600 N 1.104 Z: 17 32.259 2.013 0.890 0.953 1.000 0.688 CB 1.459 17 residues pruned to eliminate duplicates Z: 12 15.021 1.957 0.634 0.871 0.909 0.909 CB 1.137 12 residues pruned to eliminate duplicates Z: 76 51.666 2.212 0.859 0.584 0.907 0.560 CB 1.476 76 residues pruned to eliminate duplicates Z: 6 4.616 1.869 -0.096 0.615 1.000 0.600 CB 1.095 Z: 10 7.687 1.745 0.873 0.376 0.889 0.444 N 1.006 Z: 20 13.990 1.941 0.371 0.644 0.895 0.579 CB 1.179 20 residues pruned to eliminate duplicates Z: 8 4.651 1.449 0.136 0.607 1.000 0.571 CB 0.964 Z: 14 12.134 1.842 0.506 0.910 0.923 0.462 CB 0.932 14 residues pruned to eliminate duplicates Z: 17 35.138 2.015 1.083 0.946 1.000 0.625 CB 1.447 17 residues pruned to eliminate duplicates Z: 55 37.921 2.112 0.835 0.519 0.907 0.611 CB 1.441 55 residues pruned to eliminate duplicates Z: 13 18.313 2.110 0.540 0.544 0.917 0.833 CA 1.700 13 residues pruned to eliminate duplicates Z: 58 35.007 2.000 0.834 0.591 0.877 0.509 CB 1.320 58 residues pruned to eliminate duplicates Z: 6 5.502 1.660 -0.059 0.634 1.000 0.800 N 1.390 Z: 11 26.106 2.464 0.438 0.830 1.000 0.900 CA 1.752 11 residues pruned to eliminate duplicates Z: 44 28.418 1.984 0.814 0.529 0.884 0.442 CB 1.324 44 residues pruned to eliminate duplicates Z: 12 18.916 2.060 0.545 0.811 1.000 0.545 CB 1.367 12 residues pruned to eliminate duplicates Z: 6 3.551 1.604 -0.090 0.487 1.000 0.400 CB 1.103 Z: 34 18.695 1.886 0.548 0.463 0.879 0.576 CB 1.317 34 residues pruned to eliminate duplicates Z: 21 32.998 2.396 0.671 0.593 0.950 0.700 CA 1.774 21 residues pruned to eliminate duplicates Z: 6 2.847 1.628 0.194 0.367 1.000 0.600 CB 0.755 6 residues pruned to eliminate duplicates 6 0.751 1.378 0.016 0.591 0.400 0.400 CB 0.550 ? Z: 15 19.104 2.004 0.130 0.933 1.000 1.000 CB 1.573 15 residues pruned to eliminate duplicates Z: 13 16.907 2.012 0.781 0.475 0.917 0.583 CA 1.524 13 residues pruned to eliminate duplicates Z: 14 11.800 1.953 0.260 0.838 0.923 0.692 CB 1.077 14 residues pruned to eliminate duplicates Z: 7 2.631 1.566 0.519 0.261 0.833 0.667 CB 0.712 Z: 31 22.073 2.175 0.601 0.398 0.833 0.333 CB 1.547 31 residues pruned to eliminate duplicates Z: 6 4.454 1.658 0.691 0.291 0.800 0.600 CB 1.122 Z: 6 3.017 1.444 0.423 0.333 0.800 0.600 CB 0.986 Z: 7 3.250 1.656 0.037 0.470 1.000 0.667 CB 0.796 7 residues pruned to eliminate duplicates Z: 14 9.359 2.146 0.483 0.358 0.692 0.385 CB 1.372 14 residues pruned to eliminate duplicates Z: 15 35.427 2.273 0.924 0.920 1.000 0.929 CB 1.525 15 residues pruned to eliminate duplicates Z: 6 18.818 2.538 0.578 0.686 1.000 0.800 CA 1.772 6 residues pruned to eliminate duplicates Z: 19 19.212 2.212 0.530 0.554 1.000 0.667 CB 1.270 19 residues pruned to eliminate duplicates Z: 21 34.570 2.442 0.835 0.571 0.900 0.750 CB 1.789 21 residues pruned to eliminate duplicates Z: 19 10.500 1.937 0.436 0.400 0.833 0.667 CB 1.186 19 residues pruned to eliminate duplicates Z: 15 12.846 1.822 0.160 0.911 1.000 0.929 CB 1.152 15 residues pruned to eliminate duplicates Z: 11 16.432 2.150 0.426 0.534 1.000 0.800 CA 1.639 Z: 9 6.157 2.012 0.348 0.225 0.750 0.250 CA 1.477 9 residues pruned to eliminate duplicates Z: 36 20.401 2.083 1.023 0.329 0.771 0.400 CB 1.279 36 residues pruned to eliminate duplicates Z: 17 22.328 1.943 0.651 0.914 1.000 0.875 CB 1.231 17 residues pruned to eliminate duplicates Z: 7 5.573 1.864 0.585 0.402 0.667 0.333 CB 1.281 5 residues pruned to eliminate duplicates Z: 39 30.165 2.183 0.726 0.433 0.895 0.474 CB 1.556 39 residues pruned to eliminate duplicates Z: 16 15.044 2.102 0.524 0.369 0.867 0.600 CB 1.609 16 residues pruned to eliminate duplicates Z: 6 4.731 1.575 0.505 0.697 0.600 0.600 O 1.244 6 residues pruned to eliminate duplicates Z: 15 11.568 1.807 0.008 0.916 1.000 0.929 CB 1.199 15 residues pruned to eliminate duplicates Z: 37 41.751 2.194 0.938 0.618 0.944 0.500 CB 1.551 37 residues pruned to eliminate duplicates Z: 23 24.279 2.257 0.847 0.358 0.818 0.409 CB 1.769 23 residues pruned to eliminate duplicates Z: 15 17.162 1.862 0.459 0.914 1.000 0.786 CB 1.194 16 residues pruned to eliminate duplicates Z: 36 38.271 2.143 0.732 0.851 0.943 0.657 CB 1.368 36 residues pruned to eliminate duplicates Z: 9 5.128 1.514 0.094 0.483 0.875 0.500 N 1.273 9 residues pruned to eliminate duplicates Z: 28 45.252 2.384 0.808 0.650 0.963 0.815 CB 1.825 28 residues pruned to eliminate duplicates Z: 6 12.631 1.836 1.681 0.723 1.000 1.000 N 0.938 13 residues pruned to eliminate duplicates Z: 101 51.210 2.135 0.848 0.558 0.870 0.520 CB 1.410 101 residues pruned to eliminate duplicates Z: 26 15.569 1.787 0.503 0.544 0.880 0.640 CB 1.262 26 residues pruned to eliminate duplicates Z: 30 21.240 2.131 0.461 0.502 0.931 0.724 CB 1.358 30 residues pruned to eliminate duplicates Z: 20 28.147 2.332 0.628 0.699 0.895 0.789 CB 1.586 20 residues pruned to eliminate duplicates Z: 7 8.929 1.714 0.530 0.658 1.000 0.500 CB 1.200 Z: 18 24.363 2.040 0.979 0.644 0.882 0.706 CB 1.450 18 residues pruned to eliminate duplicates Z: 19 16.391 1.813 0.753 0.422 1.000 0.667 CB 1.319 19 residues pruned to eliminate duplicates Z: 9 2.863 1.672 0.219 0.305 0.750 0.375 CB 0.823 9 residues pruned to eliminate duplicates Z: 32 28.006 2.117 0.790 0.613 0.806 0.516 CB 1.479 32 residues pruned to eliminate duplicates Z: 15 8.766 1.819 0.201 0.422 1.000 0.714 CB 1.163 15 residues pruned to eliminate duplicates Z: 8 7.808 1.851 0.400 0.635 0.857 0.714 CA 1.171 8 residues pruned to eliminate duplicates Z: 14 15.284 1.925 0.763 0.477 0.923 0.538 CB 1.386 14 residues pruned to eliminate duplicates Z: 12 6.171 1.756 -0.010 0.532 0.909 0.545 CB 1.140 6 residues pruned to eliminate duplicates Z: 17 33.505 1.989 1.135 0.937 1.000 0.500 CB 1.373 17 residues pruned to eliminate duplicates Z: 8 4.064 1.742 -0.070 0.207 1.000 0.714 CA 1.342 8 residues pruned to eliminate duplicates Z: 18 26.918 2.002 0.664 0.933 0.941 0.882 CB 1.453 18 residues pruned to eliminate duplicates Z: 14 10.442 2.056 0.454 0.381 0.769 0.308 CB 1.431 14 residues pruned to eliminate duplicates Z: 16 13.059 1.992 0.655 0.355 0.800 0.600 CB 1.495 16 residues pruned to eliminate duplicates Z: 74 45.223 2.194 0.760 0.550 0.877 0.575 CB 1.490 74 residues pruned to eliminate duplicates Z: 12 6.247 1.757 0.237 0.570 0.727 0.636 CB 1.114 21 residues pruned to eliminate duplicates Z: 15 11.349 1.807 -0.014 0.918 1.000 0.857 CB 1.201 15 residues pruned to eliminate duplicates Z: 11 20.611 2.248 0.713 0.596 1.000 0.800 CB 1.545 12 residues pruned to eliminate duplicates Z: 38 44.980 2.285 0.718 0.856 0.892 0.676 CB 1.557 38 residues pruned to eliminate duplicates Z: 10 12.044 1.750 0.900 0.679 0.889 0.778 CB 1.153 Z: 37 36.616 2.139 0.981 0.626 0.944 0.583 CB 1.355 37 residues pruned to eliminate duplicates Z: 17 24.891 1.975 0.503 0.941 0.938 0.750 CB 1.552 17 residues pruned to eliminate duplicates Z: 48 34.719 2.173 0.624 0.550 0.915 0.617 CB 1.493 58 residues pruned to eliminate duplicates Z: 37 44.012 2.330 0.464 0.866 0.972 0.750 CB 1.619 37 residues pruned to eliminate duplicates Z: 10 3.191 1.592 0.232 0.219 0.778 0.444 CB 0.970 10 residues pruned to eliminate duplicates Z: 84 58.497 2.277 0.856 0.552 0.952 0.542 CB 1.518 84 residues pruned to eliminate duplicates Z: 16 18.679 1.975 0.458 0.860 0.933 0.933 CB 1.319 16 residues pruned to eliminate duplicates Z: 46 44.621 2.379 0.768 0.590 0.867 0.556 CB 1.673 46 residues pruned to eliminate duplicates Z: 12 23.862 2.101 0.974 0.603 1.000 0.818 CB 1.572 12 residues pruned to eliminate duplicates Z: 19 23.820 2.064 0.767 0.715 0.944 0.333 CB 1.341 19 residues pruned to eliminate duplicates Z: 26 38.889 2.329 0.743 0.794 0.920 0.640 CB 1.610 26 residues pruned to eliminate duplicates Z: 19 23.254 1.953 0.492 0.912 0.944 0.833 CA 1.410 19 residues pruned to eliminate duplicates Z: 14 4.895 1.721 0.275 0.279 0.846 0.462 CB 0.938 14 residues pruned to eliminate duplicates Z: 13 15.463 1.936 1.007 0.290 1.000 0.583 CA 1.454 13 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 16 25.028 2.018 0.431 0.914 1.000 1.000 CA 1.583 16 residues pruned to eliminate duplicates Z: 17 23.934 2.015 0.514 0.872 0.938 0.688 CB 1.525 17 residues pruned to eliminate duplicates Z: 15 27.797 2.083 0.484 0.935 1.000 1.000 CB 1.674 15 residues pruned to eliminate duplicates Z: 18 28.186 1.944 0.749 0.881 1.000 0.765 CB 1.456 18 residues pruned to eliminate duplicates Z: 17 29.603 2.013 0.671 0.932 1.000 1.000 CB 1.537 17 residues pruned to eliminate duplicates Z: 16 29.782 2.063 0.662 0.944 1.000 1.000 CB 1.554 16 residues pruned to eliminate duplicates Z: 16 29.990 2.032 0.653 0.920 1.000 0.933 CB 1.623 16 residues pruned to eliminate duplicates Z: 16 29.355 2.023 0.689 0.909 1.000 0.933 CB 1.574 16 residues pruned to eliminate duplicates Z: 17 25.863 2.019 0.676 0.891 0.938 0.750 CB 1.466 17 residues pruned to eliminate duplicates Z: 15 27.817 2.086 0.565 0.944 1.000 0.857 CB 1.577 15 residues pruned to eliminate duplicates Z: 16 28.375 1.988 0.797 0.922 1.000 0.733 CB 1.442 16 residues pruned to eliminate duplicates Z: 16 30.592 1.984 0.885 0.933 1.000 0.533 CB 1.474 16 residues pruned to eliminate duplicates Z: 17 27.732 1.944 0.821 0.899 1.000 0.375 CB 1.399 17 residues pruned to eliminate duplicates Z: 17 25.785 1.946 0.823 0.912 0.875 0.312 CB 1.471 17 residues pruned to eliminate duplicates Z: 11 13.063 2.098 0.811 0.752 0.900 0.700 CB 0.965 Z: 6 3.193 1.341 1.082 0.262 0.800 0.400 CB 0.839 Z: 6 4.110 1.732 0.335 0.284 0.800 0.600 CA 1.268 3 residues pruned to eliminate duplicates Z: 6 3.627 1.543 0.176 0.430 0.800 0.400 C 1.200 Z: 39 50.047 2.338 0.730 0.821 0.947 0.816 CB 1.604 39 residues pruned to eliminate duplicates Z: 33 35.407 2.307 0.695 0.556 0.938 0.688 CB 1.618 48 residues pruned to eliminate duplicates Z: 29 42.427 2.365 0.904 0.615 0.964 0.750 CB 1.656 29 residues pruned to eliminate duplicates Z: 39 40.749 2.295 0.801 0.617 0.947 0.711 CB 1.512 50 residues pruned to eliminate duplicates Z: 30 36.058 2.264 0.773 0.621 0.931 0.690 CB 1.598 30 residues pruned to eliminate duplicates Z: 114 62.112 2.233 0.677 0.608 0.920 0.655 CB 1.530 114 residues pruned to eliminate duplicates Z: 80 58.180 2.316 0.719 0.613 0.924 0.557 CB 1.598 80 residues pruned to eliminate duplicates Z: 56 49.930 2.325 0.685 0.635 0.945 0.691 CB 1.602 56 residues pruned to eliminate duplicates Z: 39 37.960 2.312 0.714 0.607 0.947 0.763 CB 1.481 39 residues pruned to eliminate duplicates Z: 21 41.702 2.395 0.862 0.836 0.950 0.850 CB 1.647 21 residues pruned to eliminate duplicates Z: 31 36.385 2.332 0.685 0.598 0.900 0.633 CB 1.711 31 residues pruned to eliminate duplicates Z: 21 41.460 2.330 0.917 0.777 0.900 0.850 CB 1.805 21 residues pruned to eliminate duplicates Z: 145 64.575 2.214 0.658 0.590 0.903 0.653 CB 1.489 145 residues pruned to eliminate duplicates Z: 59 47.567 2.310 0.738 0.586 0.931 0.621 CB 1.538 59 residues pruned to eliminate duplicates Z: 30 43.069 2.363 0.813 0.594 0.966 0.690 CB 1.767 30 residues pruned to eliminate duplicates Z: 35 35.768 2.222 0.677 0.550 0.941 0.588 CB 1.667 35 residues pruned to eliminate duplicates Z: 120 60.213 2.226 0.618 0.636 0.933 0.664 CB 1.446 132 residues pruned to eliminate duplicates Z: 56 48.708 2.303 0.654 0.630 0.964 0.655 CB 1.584 56 residues pruned to eliminate duplicates Z: 96 57.372 2.294 0.669 0.579 0.926 0.621 CB 1.538 96 residues pruned to eliminate duplicates Z: 58 48.678 2.301 0.700 0.609 0.965 0.667 CB 1.540 31 residues pruned to eliminate duplicates Z: 26 42.151 2.330 0.734 0.851 1.000 0.800 CB 1.544 26 residues pruned to eliminate duplicates Z: 52 44.905 2.277 0.678 0.692 0.922 0.608 CB 1.499 52 residues pruned to eliminate duplicates Z: 31 29.381 2.280 0.593 0.613 0.933 0.667 CB 1.422 31 residues pruned to eliminate duplicates Z: 119 66.730 2.245 0.693 0.655 0.949 0.669 CB 1.475 109 residues pruned to eliminate duplicates Z: 21 25.790 2.212 0.567 0.801 0.950 0.650 CB 1.346 21 residues pruned to eliminate duplicates Z: 80 57.689 2.346 0.615 0.637 0.949 0.709 CB 1.587 80 residues pruned to eliminate duplicates Z: 68 42.815 2.177 0.741 0.566 0.925 0.612 CB 1.398 68 residues pruned to eliminate duplicates Z: 85 47.583 2.209 0.591 0.594 0.917 0.714 CB 1.473 85 residues pruned to eliminate duplicates Z: 30 28.664 2.220 0.609 0.642 0.966 0.690 CB 1.351 30 residues pruned to eliminate duplicates Z: 81 57.159 2.316 0.704 0.599 0.925 0.625 CB 1.593 81 residues pruned to eliminate duplicates Z: 115 65.125 2.224 0.714 0.616 0.939 0.632 CB 1.527 115 residues pruned to eliminate duplicates Z: 91 49.083 2.261 0.552 0.600 0.922 0.600 CB 1.454 91 residues pruned to eliminate duplicates Z: 29 26.339 2.288 0.487 0.602 0.964 0.643 CB 1.376 29 residues pruned to eliminate duplicates Z: 88 51.410 2.240 0.635 0.578 0.920 0.621 CB 1.518 88 residues pruned to eliminate duplicates Z: 57 48.256 2.312 0.632 0.614 0.982 0.571 CB 1.562 57 residues pruned to eliminate duplicates Z: 56 46.102 2.331 0.505 0.639 0.982 0.709 CB 1.585 56 residues pruned to eliminate duplicates Z: 29 29.597 2.303 0.598 0.631 0.929 0.643 CB 1.447 29 residues pruned to eliminate duplicates Z: 61 37.736 2.263 0.633 0.517 0.883 0.567 CB 1.468 61 residues pruned to eliminate duplicates Z: 56 49.468 2.325 0.629 0.637 0.982 0.709 CB 1.577 56 residues pruned to eliminate duplicates Z: 57 48.030 2.306 0.629 0.618 0.946 0.661 CB 1.614 57 residues pruned to eliminate duplicates Z: 48 47.506 2.352 0.670 0.710 0.936 0.787 CB 1.557 48 residues pruned to eliminate duplicates Z: 45 36.779 2.217 0.604 0.599 0.955 0.682 CB 1.486 45 residues pruned to eliminate duplicates Z: 88 48.705 2.182 0.633 0.604 0.931 0.690 CB 1.425 88 residues pruned to eliminate duplicates Z: 71 43.809 2.216 0.584 0.578 0.943 0.629 CB 1.467 71 residues pruned to eliminate duplicates Z: 88 54.411 2.193 0.759 0.619 0.943 0.690 CB 1.433 88 residues pruned to eliminate duplicates Z: 83 57.041 2.321 0.699 0.605 0.951 0.707 CB 1.519 83 residues pruned to eliminate duplicates Z: 114 63.865 2.244 0.706 0.603 0.947 0.646 CB 1.502 114 residues pruned to eliminate duplicates Z: 84 54.591 2.245 0.693 0.636 0.940 0.675 CB 1.476 84 residues pruned to eliminate duplicates Z: 25 32.884 2.377 0.673 0.653 0.917 0.708 CB 1.597 25 residues pruned to eliminate duplicates Z: 28 25.347 2.227 0.562 0.566 0.889 0.630 CB 1.480 28 residues pruned to eliminate duplicates Z: 80 57.661 2.320 0.630 0.620 0.962 0.658 CB 1.592 80 residues pruned to eliminate duplicates Z: 25 33.317 2.346 0.734 0.638 0.917 0.667 CB 1.602 25 residues pruned to eliminate duplicates Z: 59 44.763 2.132 0.734 0.622 0.931 0.638 CB 1.522 59 residues pruned to eliminate duplicates Z: 91 55.330 2.314 0.653 0.621 0.911 0.678 CB 1.494 91 residues pruned to eliminate duplicates Z: 28 32.079 2.258 0.619 0.619 0.926 0.704 CB 1.631 28 residues pruned to eliminate duplicates Z: 24 35.945 2.367 0.708 0.659 0.957 0.739 CB 1.673 24 residues pruned to eliminate duplicates Z: 100 70.849 2.275 0.857 0.668 0.929 0.677 CB 1.552 100 residues pruned to eliminate duplicates Z: 116 59.663 2.226 0.660 0.608 0.913 0.661 CB 1.488 116 residues pruned to eliminate duplicates Z: 23 29.744 2.295 0.753 0.659 0.864 0.682 CB 1.575 23 residues pruned to eliminate duplicates Z: 81 57.911 2.316 0.660 0.627 0.975 0.663 CB 1.534 81 residues pruned to eliminate duplicates Z: 116 63.073 2.253 0.672 0.636 0.930 0.713 CB 1.477 116 residues pruned to eliminate duplicates Z: 80 57.362 2.316 0.662 0.628 0.949 0.633 CB 1.566 80 residues pruned to eliminate duplicates Z: 55 47.649 2.316 0.744 0.637 0.944 0.741 CB 1.495 55 residues pruned to eliminate duplicates Z: 83 56.580 2.319 0.710 0.612 0.939 0.646 CB 1.509 83 residues pruned to eliminate duplicates Z: 22 33.184 2.302 0.898 0.693 0.857 0.619 CB 1.621 22 residues pruned to eliminate duplicates Z: 89 62.485 2.318 0.816 0.632 0.943 0.705 CB 1.482 89 residues pruned to eliminate duplicates Z: 54 42.926 2.303 0.767 0.610 0.925 0.642 CB 1.412 54 residues pruned to eliminate duplicates Z: 60 43.346 2.133 0.858 0.591 0.898 0.610 CB 1.453 60 residues pruned to eliminate duplicates Z: 114 62.767 2.236 0.721 0.623 0.920 0.655 CB 1.484 114 residues pruned to eliminate duplicates Z: 113 67.057 2.243 0.797 0.626 0.929 0.607 CB 1.503 113 residues pruned to eliminate duplicates Z: 86 63.845 2.306 0.844 0.620 0.941 0.588 CB 1.545 86 residues pruned to eliminate duplicates Z: 45 21.736 1.915 0.632 0.512 0.841 0.591 CB 1.232 45 residues pruned to eliminate duplicates Z: 55 39.962 2.148 0.690 0.604 0.907 0.685 CB 1.495 55 residues pruned to eliminate duplicates Z: 99 70.824 2.275 0.833 0.690 0.929 0.694 CB 1.552 99 residues pruned to eliminate duplicates Z: 18 17.379 1.966 0.994 0.448 0.882 0.647 CB 1.285 18 residues pruned to eliminate duplicates Z: 119 62.407 2.263 0.763 0.544 0.898 0.619 CB 1.535 119 residues pruned to eliminate duplicates Z: 113 67.862 2.303 0.858 0.599 0.884 0.625 CB 1.543 113 residues pruned to eliminate duplicates Z: 87 53.283 2.277 0.798 0.543 0.919 0.628 CB 1.466 87 residues pruned to eliminate duplicates Z: 31 29.592 2.417 0.680 0.465 0.800 0.500 CB 1.725 31 residues pruned to eliminate duplicates Z: 33 35.485 2.380 0.784 0.491 0.906 0.562 CB 1.646 33 residues pruned to eliminate duplicates Z: 29 31.916 2.411 0.688 0.463 0.929 0.429 CB 1.657 29 residues pruned to eliminate duplicates Z: 43 34.294 2.220 0.843 0.453 0.881 0.548 CB 1.542 43 residues pruned to eliminate duplicates Z: 28 34.782 2.446 0.973 0.408 0.889 0.519 CB 1.719 28 residues pruned to eliminate duplicates Z: 36 35.362 2.268 0.775 0.514 0.857 0.514 CB 1.708 36 residues pruned to eliminate duplicates Z: 31 39.340 2.419 0.731 0.562 0.967 0.667 CB 1.670 31 residues pruned to eliminate duplicates Z: 32 40.439 2.399 0.832 0.563 0.968 0.710 CB 1.607 32 residues pruned to eliminate duplicates Z: 31 31.608 2.405 0.795 0.445 0.867 0.700 CB 1.633 31 residues pruned to eliminate duplicates Z: 40 40.927 2.346 0.953 0.492 0.897 0.718 CB 1.607 40 residues pruned to eliminate duplicates Z: 103 65.129 2.297 0.797 0.597 0.922 0.647 CB 1.546 103 residues pruned to eliminate duplicates Z: 55 51.609 2.291 0.969 0.580 0.907 0.648 CB 1.590 55 residues pruned to eliminate duplicates Z: 29 36.114 2.460 0.849 0.515 0.857 0.714 CB 1.726 29 residues pruned to eliminate duplicates Z: 38 38.934 2.326 0.730 0.528 0.946 0.649 CB 1.636 38 residues pruned to eliminate duplicates Z: 33 35.680 2.353 0.818 0.464 0.906 0.625 CB 1.689 33 residues pruned to eliminate duplicates Z: 38 40.080 2.350 0.841 0.507 0.946 0.757 CB 1.599 38 residues pruned to eliminate duplicates Z: 30 38.169 2.416 0.877 0.508 0.931 0.690 CB 1.666 30 residues pruned to eliminate duplicates Z: 29 40.624 2.429 0.948 0.544 0.929 0.714 CB 1.673 29 residues pruned to eliminate duplicates Z: 31 37.326 2.351 0.826 0.513 1.000 0.667 CB 1.567 31 residues pruned to eliminate duplicates Z: 30 40.473 2.460 0.838 0.509 0.966 0.586 CB 1.706 30 residues pruned to eliminate duplicates Z: 59 56.359 2.365 0.854 0.566 0.948 0.655 CB 1.669 59 residues pruned to eliminate duplicates Z: 53 54.409 2.300 0.861 0.580 0.942 0.673 CB 1.732 53 residues pruned to eliminate duplicates Z: 29 41.311 2.453 0.887 0.584 0.929 0.786 CB 1.675 29 residues pruned to eliminate duplicates Z: 31 46.945 2.428 0.990 0.555 0.967 0.733 CB 1.739 31 residues pruned to eliminate duplicates Z: 54 47.306 2.215 0.837 0.579 0.943 0.698 CB 1.569 54 residues pruned to eliminate duplicates Z: 39 34.397 2.331 0.847 0.487 0.895 0.605 CB 1.467 39 residues pruned to eliminate duplicates Z: 34 38.558 2.359 0.824 0.505 0.909 0.606 CB 1.708 34 residues pruned to eliminate duplicates Z: 34 38.355 2.258 0.884 0.572 0.909 0.636 CB 1.611 34 residues pruned to eliminate duplicates Z: 16 33.606 2.301 1.122 0.811 0.867 0.667 CB 1.564 16 residues pruned to eliminate duplicates Z: 16 46.388 2.442 1.148 0.798 1.000 0.800 CB 1.760 16 residues pruned to eliminate duplicates Z: 29 35.472 2.254 0.836 0.590 0.929 0.750 CB 1.600 29 residues pruned to eliminate duplicates Z: 19 31.941 2.328 0.835 0.688 0.944 0.722 CB 1.570 19 residues pruned to eliminate duplicates Z: 30 41.314 2.328 0.824 0.642 0.931 0.724 CB 1.699 30 residues pruned to eliminate duplicates Z: 15 48.376 2.380 1.419 0.883 0.929 0.857 CB 1.748 15 residues pruned to eliminate duplicates Z: 19 31.983 2.249 1.033 0.692 0.944 0.833 CB 1.464 19 residues pruned to eliminate duplicates Z: 29 44.114 2.290 0.942 0.647 0.964 0.714 CB 1.694 29 residues pruned to eliminate duplicates Z: 31 47.064 2.294 0.936 0.640 1.000 0.700 CB 1.697 31 residues pruned to eliminate duplicates Z: 15 47.085 2.282 1.170 0.953 1.000 0.857 CB 1.748 15 residues pruned to eliminate duplicates Z: 28 35.087 2.311 0.922 0.606 0.815 0.778 CB 1.688 28 residues pruned to eliminate duplicates Z: 16 38.969 2.395 1.087 0.757 1.000 0.800 CB 1.601 16 residues pruned to eliminate duplicates Z: 29 44.661 2.331 0.936 0.593 0.964 0.714 CB 1.775 29 residues pruned to eliminate duplicates Z: 30 40.183 2.289 0.769 0.605 0.966 0.724 CB 1.728 30 residues pruned to eliminate duplicates Z: 39 31.813 2.140 0.688 0.526 0.895 0.684 CB 1.557 39 residues pruned to eliminate duplicates Z: 27 51.539 2.446 0.926 0.655 1.000 0.769 CB 1.857 27 residues pruned to eliminate duplicates Z: 15 22.855 2.300 0.807 0.475 0.857 0.500 CA 1.760 15 residues pruned to eliminate duplicates Z: 29 42.375 2.337 0.806 0.588 1.000 0.750 CB 1.745 29 residues pruned to eliminate duplicates Z: 27 42.760 2.426 0.840 0.633 0.962 0.692 CB 1.726 27 residues pruned to eliminate duplicates Z: 29 42.418 2.333 0.887 0.584 0.964 0.714 CB 1.743 29 residues pruned to eliminate duplicates Z: 30 39.400 2.312 0.801 0.630 0.931 0.724 CB 1.671 30 residues pruned to eliminate duplicates Z: 16 24.295 2.214 0.667 0.504 0.933 0.667 CB 1.813 16 residues pruned to eliminate duplicates Z: 30 43.210 2.315 0.910 0.637 0.966 0.690 CB 1.653 30 residues pruned to eliminate duplicates Z: 28 25.178 2.110 0.776 0.391 0.889 0.556 CB 1.633 28 residues pruned to eliminate duplicates Z: 19 20.039 1.861 0.943 0.523 0.944 0.611 CB 1.351 19 residues pruned to eliminate duplicates Z: 7 12.612 1.899 0.509 0.839 1.000 0.667 CA 1.343 8 residues pruned to eliminate duplicates Z: 8 10.055 1.692 0.689 0.743 0.857 0.571 CB 1.248 8 residues pruned to eliminate duplicates Z: 8 13.542 1.814 0.681 0.878 1.000 1.000 CA 1.218 8 residues pruned to eliminate duplicates Z: 19 22.561 1.892 0.924 0.525 1.000 0.722 CB 1.425 18 residues pruned to eliminate duplicates Z: 9 10.078 1.775 0.767 0.762 0.875 0.500 CB 1.029 9 residues pruned to eliminate duplicates Z: 11 17.078 1.858 1.014 0.664 1.000 0.800 CA 1.240 11 residues pruned to eliminate duplicates Z: 20 18.478 1.808 0.867 0.541 0.947 0.579 CB 1.274 20 residues pruned to eliminate duplicates Z: 19 23.672 1.903 0.960 0.553 1.000 0.667 CB 1.420 18 residues pruned to eliminate duplicates Z: 10 11.315 1.752 0.596 0.521 0.889 0.333 O 1.487 10 residues pruned to eliminate duplicates Z: 17 17.037 1.960 0.705 0.450 0.938 0.562 CB 1.430 17 residues pruned to eliminate duplicates Z: 17 16.963 1.943 0.774 0.432 0.938 0.562 CB 1.409 17 residues pruned to eliminate duplicates Z: 20 20.747 1.834 0.865 0.530 1.000 0.684 CB 1.351 20 residues pruned to eliminate duplicates Z: 24 19.047 1.924 0.745 0.381 0.913 0.565 CB 1.471 24 residues pruned to eliminate duplicates Z: 21 22.666 1.985 0.728 0.510 0.950 0.700 CB 1.540 21 residues pruned to eliminate duplicates Z: 20 21.308 2.091 0.748 0.391 0.947 0.684 CB 1.584 20 residues pruned to eliminate duplicates Z: 22 21.275 2.052 0.791 0.398 0.952 0.667 CB 1.476 19 residues pruned to eliminate duplicates Z: 9 13.375 2.070 0.315 0.784 1.000 0.625 CB 1.352 9 residues pruned to eliminate duplicates Z: 22 22.252 2.094 0.793 0.402 0.952 0.619 CB 1.507 23 residues pruned to eliminate duplicates Z: 9 16.505 2.091 0.563 0.740 1.000 0.750 CB 1.440 9 residues pruned to eliminate duplicates Z: 14 15.368 1.839 0.597 0.638 1.000 0.692 CA 1.275 12 residues pruned to eliminate duplicates Z: 12 16.241 1.975 0.797 0.593 0.909 0.636 CA 1.389 12 residues pruned to eliminate duplicates Z: 20 22.961 2.039 0.707 0.490 1.000 0.737 CB 1.529 20 residues pruned to eliminate duplicates Z: 18 22.870 2.170 0.849 0.439 0.941 0.588 CB 1.564 18 residues pruned to eliminate duplicates Z: 22 21.006 2.072 0.689 0.405 0.952 0.619 CB 1.519 22 residues pruned to eliminate duplicates Z: 22 18.645 2.020 0.802 0.358 0.857 0.619 CB 1.520 22 residues pruned to eliminate duplicates Z: 23 21.191 2.040 0.791 0.404 0.909 0.682 CB 1.505 22 residues pruned to eliminate duplicates Z: 6 7.826 1.786 0.780 0.407 1.000 0.800 CA 1.214 6 residues pruned to eliminate duplicates Z: 19 17.445 1.919 0.729 0.474 0.889 0.444 CB 1.432 19 residues pruned to eliminate duplicates Z: 6 5.105 1.667 0.314 0.454 1.000 0.400 CA 1.093 6 residues pruned to eliminate duplicates Z: 18 14.092 1.875 0.688 0.390 0.882 0.471 CB 1.376 18 residues pruned to eliminate duplicates Z: 12 15.201 2.059 0.733 0.430 0.909 0.545 CA 1.518 12 residues pruned to eliminate duplicates Z: 22 22.732 2.073 0.625 0.530 0.952 0.619 CB 1.502 22 residues pruned to eliminate duplicates Z: 34 36.652 2.152 0.806 0.654 0.909 0.727 CB 1.565 34 residues pruned to eliminate duplicates Z: 19 17.365 1.890 0.764 0.410 0.944 0.556 CA 1.428 19 residues pruned to eliminate duplicates Z: 18 15.937 1.955 0.643 0.428 0.882 0.353 CB 1.470 18 residues pruned to eliminate duplicates Z: 6 3.898 1.517 0.491 0.455 1.000 1.000 CB 0.807 6 residues pruned to eliminate duplicates Z: 18 16.860 2.024 0.712 0.401 0.882 0.529 CB 1.484 18 residues pruned to eliminate duplicates Z: 57 34.859 2.086 0.792 0.486 0.893 0.536 CB 1.415 57 residues pruned to eliminate duplicates Z: 22 8.512 1.804 0.290 0.279 0.810 0.333 CB 1.266 22 residues pruned to eliminate duplicates Z: 15 12.879 1.825 0.220 0.909 1.000 0.714 CB 1.097 15 residues pruned to eliminate duplicates Z: 15 12.008 1.801 0.204 0.885 0.929 0.786 CB 1.151 15 residues pruned to eliminate duplicates Z: 16 14.863 1.807 0.283 0.925 1.000 0.800 CB 1.162 16 residues pruned to eliminate duplicates Z: 15 15.077 1.828 0.421 0.939 1.000 0.714 CB 1.078 15 residues pruned to eliminate duplicates Z: 16 16.290 1.799 0.464 0.938 1.000 0.867 CB 1.111 16 residues pruned to eliminate duplicates Z: 16 16.847 1.803 0.441 0.942 1.000 0.800 CB 1.160 16 residues pruned to eliminate duplicates Z: 17 15.161 1.724 0.420 0.927 1.000 0.938 CB 1.085 17 residues pruned to eliminate duplicates Z: 15 16.200 1.816 0.461 0.911 1.000 0.786 CB 1.156 15 residues pruned to eliminate duplicates Z: 16 18.074 1.813 0.604 0.914 1.000 0.733 CB 1.135 16 residues pruned to eliminate duplicates Z: 15 17.696 1.852 0.496 0.926 1.000 0.714 CB 1.197 15 residues pruned to eliminate duplicates Z: 16 16.817 1.808 0.476 0.920 1.000 0.800 CB 1.146 16 residues pruned to eliminate duplicates Z: 16 17.084 1.821 0.486 0.909 1.000 0.800 CB 1.157 16 residues pruned to eliminate duplicates Z: 17 14.559 1.741 0.441 0.883 1.000 0.875 CB 1.049 17 residues pruned to eliminate duplicates Z: 14 12.643 1.936 0.509 0.440 1.000 0.692 CB 1.278 14 residues pruned to eliminate duplicates Z: 14 12.910 1.905 0.680 0.427 0.923 0.615 CB 1.307 14 residues pruned to eliminate duplicates Z: 13 13.965 2.035 0.536 0.442 1.000 0.667 CB 1.370 13 residues pruned to eliminate duplicates Z: 14 15.018 1.972 0.549 0.474 1.000 0.615 CB 1.401 14 residues pruned to eliminate duplicates Z: 13 13.607 1.970 0.636 0.433 1.000 0.667 CB 1.307 13 residues pruned to eliminate duplicates Z: 13 13.347 2.048 0.506 0.434 1.000 0.833 CB 1.338 13 residues pruned to eliminate duplicates Z: 13 14.971 2.026 0.622 0.473 1.000 0.500 CB 1.352 13 residues pruned to eliminate duplicates Z: 12 13.746 1.975 0.603 0.570 0.909 0.636 CB 1.346 12 residues pruned to eliminate duplicates Z: 11 13.706 2.080 0.508 0.603 0.900 0.700 CB 1.391 11 residues pruned to eliminate duplicates Z: 20 11.135 1.815 0.572 0.298 0.789 0.421 CB 1.420 20 residues pruned to eliminate duplicates Z: 12 16.545 2.000 0.760 0.538 1.000 0.545 CB 1.366 12 residues pruned to eliminate duplicates Z: 10 8.021 1.864 0.180 0.498 1.000 0.444 CB 1.218 10 residues pruned to eliminate duplicates Z: 15 21.668 2.309 0.570 0.493 0.929 0.500 CA 1.732 15 residues pruned to eliminate duplicates Z: 26 31.363 2.410 0.586 0.480 0.960 0.440 CB 1.745 26 residues pruned to eliminate duplicates Z: 21 27.824 2.334 0.654 0.452 0.950 0.400 CB 1.782 21 residues pruned to eliminate duplicates Z: 28 34.418 2.446 0.938 0.430 0.852 0.407 CB 1.764 28 residues pruned to eliminate duplicates Z: 9 15.032 2.257 0.771 0.593 0.750 0.625 CB 1.621 9 residues pruned to eliminate duplicates Z: 24 31.277 2.458 0.621 0.440 0.913 0.391 CB 1.908 24 residues pruned to eliminate duplicates Z: 25 24.182 2.399 0.619 0.414 0.792 0.292 CB 1.756 25 residues pruned to eliminate duplicates Z: 19 28.354 2.435 0.703 0.468 0.889 0.333 CB 1.872 19 residues pruned to eliminate duplicates Z: 26 38.839 2.387 0.997 0.462 0.920 0.480 CB 1.841 26 residues pruned to eliminate duplicates Z: 31 33.888 2.404 0.878 0.478 0.833 0.400 CB 1.682 31 residues pruned to eliminate duplicates Z: 22 24.926 2.331 0.750 0.379 0.857 0.333 CA 1.769 22 residues pruned to eliminate duplicates Z: 21 31.123 2.369 0.787 0.453 0.950 0.550 CA 1.816 21 residues pruned to eliminate duplicates Z: 25 37.424 2.417 1.007 0.443 0.917 0.500 CB 1.821 25 residues pruned to eliminate duplicates Z: 26 33.068 2.413 0.913 0.477 0.880 0.400 CB 1.667 26 residues pruned to eliminate duplicates Z: 21 32.600 2.394 0.848 0.464 0.950 0.600 CB 1.799 21 residues pruned to eliminate duplicates Z: 48 34.987 2.215 0.698 0.414 0.915 0.447 CB 1.623 48 residues pruned to eliminate duplicates Z: 21 24.688 2.237 0.824 0.417 0.850 0.500 CA 1.735 21 residues pruned to eliminate duplicates Z: 25 27.322 2.367 0.777 0.351 0.875 0.333 CB 1.781 25 residues pruned to eliminate duplicates Z: 30 33.480 2.394 0.841 0.407 0.931 0.448 CB 1.670 30 residues pruned to eliminate duplicates Z: 24 40.404 2.480 0.991 0.488 0.913 0.435 CB 1.890 24 residues pruned to eliminate duplicates Z: 25 27.779 2.248 0.799 0.378 0.958 0.333 CB 1.667 25 residues pruned to eliminate duplicates Z: 26 34.138 2.407 0.726 0.466 0.960 0.400 CB 1.772 26 residues pruned to eliminate duplicates Z: 8 8.266 2.128 0.551 0.375 0.714 0.143 CA 1.513 8 residues pruned to eliminate duplicates Z: 16 10.236 2.097 0.678 0.285 0.800 0.400 CB 1.196 16 residues pruned to eliminate duplicates Z: 14 15.207 2.173 0.777 0.435 0.923 0.462 CB 1.265 14 residues pruned to eliminate duplicates Z: 44 33.994 2.271 0.807 0.462 0.860 0.488 CB 1.526 44 residues pruned to eliminate duplicates Z: 41 29.906 2.324 0.781 0.389 0.825 0.425 CB 1.558 41 residues pruned to eliminate duplicates Z: 15 13.740 2.117 0.771 0.474 0.786 0.571 CB 1.279 15 residues pruned to eliminate duplicates Z: 14 16.563 2.259 0.745 0.508 0.846 0.615 CB 1.367 14 residues pruned to eliminate duplicates Z: 109 60.782 2.242 0.888 0.530 0.907 0.620 CB 1.478 109 residues pruned to eliminate duplicates Z: 74 54.752 2.294 0.932 0.542 0.877 0.562 CB 1.583 74 residues pruned to eliminate duplicates Z: 76 59.920 2.278 0.909 0.583 0.933 0.627 CB 1.574 76 residues pruned to eliminate duplicates Z: 73 56.900 2.306 0.947 0.555 0.931 0.542 CB 1.522 73 residues pruned to eliminate duplicates Z: 75 58.662 2.290 0.973 0.554 0.892 0.541 CB 1.606 75 residues pruned to eliminate duplicates Z: 72 55.564 2.301 0.884 0.562 0.901 0.521 CB 1.590 72 residues pruned to eliminate duplicates Z: 18 26.221 2.219 0.723 0.698 0.882 0.588 CB 1.573 18 residues pruned to eliminate duplicates Z: 70 53.885 2.280 0.943 0.557 0.899 0.580 CB 1.542 70 residues pruned to eliminate duplicates Z: 66 51.822 2.279 0.894 0.538 0.954 0.554 CB 1.504 66 residues pruned to eliminate duplicates Z: 73 54.105 2.273 0.888 0.555 0.903 0.569 CB 1.559 73 residues pruned to eliminate duplicates Z: 66 59.693 2.322 0.968 0.586 0.938 0.631 CB 1.590 66 residues pruned to eliminate duplicates Z: 81 56.618 2.242 0.878 0.569 0.913 0.663 CB 1.540 81 residues pruned to eliminate duplicates Z: 65 42.256 2.194 0.847 0.497 0.906 0.531 CB 1.443 65 residues pruned to eliminate duplicates Z: 48 40.780 2.304 0.904 0.500 0.872 0.489 CB 1.554 48 residues pruned to eliminate duplicates Z: 73 54.067 2.277 0.849 0.559 0.931 0.583 CB 1.536 73 residues pruned to eliminate duplicates Z: 73 54.027 2.319 0.925 0.560 0.861 0.597 CB 1.563 73 residues pruned to eliminate duplicates Z: 69 58.449 2.292 0.954 0.594 0.912 0.500 CB 1.586 69 residues pruned to eliminate duplicates Z: 99 58.874 2.254 0.872 0.561 0.878 0.602 CB 1.514 99 residues pruned to eliminate duplicates Z: 75 56.376 2.313 0.924 0.559 0.892 0.568 CB 1.559 75 residues pruned to eliminate duplicates Z: 82 55.212 2.233 0.845 0.566 0.926 0.593 CB 1.509 82 residues pruned to eliminate duplicates Z: 84 54.229 2.247 0.814 0.557 0.916 0.578 CB 1.510 84 residues pruned to eliminate duplicates Z: 74 58.162 2.299 0.858 0.565 0.959 0.575 CB 1.560 74 residues pruned to eliminate duplicates Z: 50 47.497 2.287 1.004 0.562 0.898 0.510 CB 1.552 50 residues pruned to eliminate duplicates Z: 74 59.686 2.294 0.925 0.589 0.918 0.616 CB 1.583 74 residues pruned to eliminate duplicates Z: 100 60.696 2.242 0.873 0.556 0.909 0.586 CB 1.512 100 residues pruned to eliminate duplicates Z: 91 56.000 2.226 0.951 0.538 0.878 0.578 CB 1.492 91 residues pruned to eliminate duplicates Z: 70 59.157 2.298 0.940 0.573 0.957 0.522 CB 1.557 70 residues pruned to eliminate duplicates Z: 73 63.512 2.318 0.935 0.593 0.958 0.611 CB 1.593 73 residues pruned to eliminate duplicates Z: 94 57.146 2.261 0.903 0.523 0.892 0.495 CB 1.509 94 residues pruned to eliminate duplicates Z: 73 55.767 2.303 0.961 0.555 0.903 0.611 CB 1.528 73 residues pruned to eliminate duplicates Z: 74 61.116 2.320 0.956 0.582 0.918 0.603 CB 1.587 74 residues pruned to eliminate duplicates Z: 45 39.350 2.203 0.928 0.515 0.909 0.545 CB 1.514 45 residues pruned to eliminate duplicates Z: 86 64.286 2.294 1.013 0.563 0.953 0.576 CB 1.490 86 residues pruned to eliminate duplicates Z: 74 59.605 2.317 0.943 0.575 0.932 0.575 CB 1.548 74 residues pruned to eliminate duplicates Z: 68 61.049 2.319 0.954 0.587 0.970 0.612 CB 1.560 68 residues pruned to eliminate duplicates Z: 99 61.882 2.224 0.915 0.561 0.929 0.602 CB 1.489 99 residues pruned to eliminate duplicates Z: 74 59.626 2.276 0.934 0.583 0.932 0.603 CB 1.571 74 residues pruned to eliminate duplicates Z: 69 55.885 2.294 0.904 0.575 0.926 0.588 CB 1.558 69 residues pruned to eliminate duplicates Z: 73 55.686 2.308 0.838 0.567 0.944 0.500 CB 1.535 73 residues pruned to eliminate duplicates Z: 37 30.956 2.162 0.758 0.575 0.861 0.583 CB 1.466 37 residues pruned to eliminate duplicates Z: 74 53.883 2.275 0.841 0.567 0.904 0.575 CB 1.562 74 residues pruned to eliminate duplicates Z: 37 37.307 2.274 0.860 0.620 0.944 0.611 CB 1.390 37 residues pruned to eliminate duplicates Z: 85 60.785 2.279 0.947 0.576 0.917 0.571 CB 1.515 85 residues pruned to eliminate duplicates Z: 73 57.581 2.308 0.903 0.582 0.917 0.597 CB 1.557 73 residues pruned to eliminate duplicates Z: 69 61.004 2.297 1.001 0.583 0.956 0.647 CB 1.555 69 residues pruned to eliminate duplicates Z: 86 57.465 2.262 0.929 0.556 0.906 0.588 CB 1.493 86 residues pruned to eliminate duplicates Z: 76 54.852 2.275 0.908 0.564 0.907 0.587 CB 1.512 76 residues pruned to eliminate duplicates Z: 97 52.882 2.184 0.820 0.535 0.896 0.594 CB 1.465 97 residues pruned to eliminate duplicates Z: 95 56.475 2.237 0.855 0.556 0.894 0.553 CB 1.488 95 residues pruned to eliminate duplicates Z: 75 57.248 2.281 0.916 0.571 0.932 0.595 CB 1.525 75 residues pruned to eliminate duplicates Z: 65 61.019 2.315 0.967 0.609 0.953 0.625 CB 1.585 65 residues pruned to eliminate duplicates Z: 48 35.102 2.146 0.765 0.535 0.915 0.681 CB 1.428 48 residues pruned to eliminate duplicates Z: 35 41.813 2.289 1.015 0.638 0.941 0.559 CB 1.452 35 residues pruned to eliminate duplicates Z: 61 44.342 2.164 0.900 0.575 0.917 0.617 CB 1.413 61 residues pruned to eliminate duplicates Z: 81 58.580 2.279 1.008 0.550 0.887 0.500 CB 1.535 81 residues pruned to eliminate duplicates Z: 35 39.235 2.275 0.878 0.627 0.941 0.618 CB 1.484 35 residues pruned to eliminate duplicates Z: 74 53.951 2.276 0.915 0.583 0.877 0.562 CB 1.526 74 residues pruned to eliminate duplicates Z: 27 23.637 2.134 0.798 0.554 0.846 0.577 CB 1.355 27 residues pruned to eliminate duplicates Z: 70 59.772 2.301 0.963 0.581 0.928 0.536 CB 1.589 70 residues pruned to eliminate duplicates Z: 34 45.491 2.296 0.995 0.671 0.970 0.606 CB 1.523 34 residues pruned to eliminate duplicates Z: 39 37.645 2.192 0.894 0.547 0.947 0.447 CB 1.483 39 residues pruned to eliminate duplicates Z: 34 34.266 2.209 0.855 0.640 0.818 0.424 CB 1.561 34 residues pruned to eliminate duplicates Z: 84 59.483 2.301 0.882 0.569 0.952 0.542 CB 1.481 84 residues pruned to eliminate duplicates Z: 34 44.978 2.272 1.025 0.620 1.000 0.545 CB 1.520 34 residues pruned to eliminate duplicates Z: 6 4.781 1.769 0.664 0.456 0.800 0.800 CB 0.950 6 residues pruned to eliminate duplicates Z: 34 41.933 2.274 0.987 0.632 0.970 0.485 CB 1.472 34 residues pruned to eliminate duplicates Z: 66 61.245 2.304 1.017 0.596 0.954 0.631 CB 1.563 66 residues pruned to eliminate duplicates Z: 74 58.814 2.302 0.979 0.571 0.932 0.493 CB 1.515 74 residues pruned to eliminate duplicates Z: 85 61.635 2.294 1.022 0.572 0.929 0.548 CB 1.456 85 residues pruned to eliminate duplicates Z: 26 25.900 2.083 0.889 0.568 0.880 0.680 CB 1.400 26 residues pruned to eliminate duplicates Z: 17 11.238 1.905 0.505 0.469 0.812 0.625 CB 1.245 17 residues pruned to eliminate duplicates Z: 26 11.839 1.901 0.487 0.398 0.840 0.600 CB 1.110 26 residues pruned to eliminate duplicates Z: 117 62.876 2.232 0.877 0.535 0.897 0.543 CB 1.503 117 residues pruned to eliminate duplicates Z: 33 23.204 2.000 0.840 0.480 0.844 0.625 CB 1.348 33 residues pruned to eliminate duplicates Z: 18 13.230 1.927 0.526 0.444 0.882 0.647 CB 1.311 18 residues pruned to eliminate duplicates Z: 17 16.039 1.971 0.804 0.487 0.875 0.688 CB 1.305 17 residues pruned to eliminate duplicates Z: 29 27.768 2.040 0.992 0.531 0.893 0.714 CB 1.404 29 residues pruned to eliminate duplicates Z: 90 65.004 2.245 1.003 0.594 0.910 0.629 CB 1.539 90 residues pruned to eliminate duplicates Z: 108 62.172 2.221 0.892 0.578 0.897 0.542 CB 1.479 108 residues pruned to eliminate duplicates Z: 32 22.351 2.032 0.869 0.510 0.839 0.613 CB 1.247 32 residues pruned to eliminate duplicates Z: 136 64.448 2.268 0.879 0.517 0.859 0.570 CB 1.490 136 residues pruned to eliminate duplicates Z: 27 26.252 2.043 0.786 0.547 0.962 0.654 CB 1.401 27 residues pruned to eliminate duplicates Z: 30 23.194 2.066 0.859 0.491 0.862 0.586 CB 1.313 30 residues pruned to eliminate duplicates Z: 61 46.329 2.170 0.854 0.624 0.933 0.617 CB 1.418 61 residues pruned to eliminate duplicates Z: 133 67.570 2.245 0.961 0.515 0.902 0.591 CB 1.461 133 residues pruned to eliminate duplicates Z: 28 23.534 2.053 0.880 0.524 0.852 0.630 CB 1.345 28 residues pruned to eliminate duplicates Z: 26 25.263 2.095 0.875 0.547 0.880 0.720 CB 1.395 26 residues pruned to eliminate duplicates Z: 26 22.145 2.062 0.837 0.503 0.840 0.600 CB 1.387 26 residues pruned to eliminate duplicates Z: 61 44.947 2.177 0.862 0.588 0.933 0.550 CB 1.410 61 residues pruned to eliminate duplicates Z: 30 24.159 2.077 0.798 0.517 0.897 0.586 CB 1.317 30 residues pruned to eliminate duplicates Z: 28 23.589 2.079 0.857 0.515 0.889 0.630 CB 1.303 28 residues pruned to eliminate duplicates Z: 28 26.042 2.041 0.884 0.507 0.926 0.667 CB 1.398 28 residues pruned to eliminate duplicates Z: 26 26.806 2.087 0.983 0.560 0.880 0.640 CB 1.390 26 residues pruned to eliminate duplicates Z: 7 3.049 1.333 0.420 0.403 0.833 0.333 CB 0.873 5 residues pruned to eliminate duplicates Z: 6 5.380 1.726 0.001 0.718 1.000 0.600 CA 1.143 Z: 6 6.429 1.976 0.318 0.476 1.000 0.600 CA 1.131 6 residues pruned to eliminate duplicates Z: 6 2.258 1.488 0.731 0.286 0.800 0.400 CA 0.623 Z: 7 6.929 1.601 1.407 0.409 1.000 0.667 CA 0.808 6 residues pruned to eliminate duplicates Z: 6 7.989 1.613 0.718 0.417 1.000 0.800 CA 1.406 Z: 7 4.653 1.588 0.711 0.239 1.000 0.500 CA 0.946 5 residues pruned to eliminate duplicates Z: 7 3.515 1.671 -0.093 0.494 1.000 0.500 CA 0.952 7 residues pruned to eliminate duplicates Z: 43 35.786 2.147 0.784 0.634 0.857 0.643 CB 1.483 48 residues pruned to eliminate duplicates Z: 24 34.116 2.213 0.704 0.819 0.913 0.696 CB 1.566 24 residues pruned to eliminate duplicates Z: 44 32.048 2.178 0.453 0.662 0.884 0.605 CB 1.503 44 residues pruned to eliminate duplicates Z: 33 30.250 2.162 0.654 0.580 0.906 0.594 CB 1.528 33 residues pruned to eliminate duplicates Z: 31 35.352 2.238 0.661 0.588 0.967 0.633 CB 1.651 31 residues pruned to eliminate duplicates Z: 34 30.463 2.121 0.639 0.539 0.909 0.667 CB 1.615 34 residues pruned to eliminate duplicates Z: 42 35.910 2.149 0.680 0.605 0.927 0.634 CB 1.517 42 residues pruned to eliminate duplicates Z: 41 40.420 2.190 0.758 0.652 0.950 0.700 CB 1.517 40 residues pruned to eliminate duplicates Z: 22 30.812 2.252 0.775 0.893 0.810 0.714 CB 1.492 22 residues pruned to eliminate duplicates Z: 23 42.975 2.261 0.871 0.800 1.000 0.818 CB 1.666 23 residues pruned to eliminate duplicates Z: 31 36.091 2.240 0.622 0.602 0.967 0.633 CB 1.703 31 residues pruned to eliminate duplicates Z: 39 29.635 2.024 0.727 0.572 0.895 0.632 CB 1.433 39 residues pruned to eliminate duplicates Z: 36 35.887 2.165 0.604 0.802 0.943 0.686 CB 1.423 36 residues pruned to eliminate duplicates Z: 30 34.880 2.266 0.600 0.598 0.966 0.690 CB 1.685 30 residues pruned to eliminate duplicates Z: 30 38.200 2.239 0.676 0.633 1.000 0.621 CB 1.668 30 residues pruned to eliminate duplicates Z: 23 40.376 2.275 0.791 0.793 1.000 0.727 CB 1.634 23 residues pruned to eliminate duplicates Z: 21 40.694 2.271 0.837 0.837 1.000 0.900 CB 1.631 21 residues pruned to eliminate duplicates Z: 37 33.044 2.140 0.532 0.760 0.944 0.667 CB 1.412 37 residues pruned to eliminate duplicates Z: 29 32.285 2.252 0.556 0.637 0.929 0.643 CB 1.649 29 residues pruned to eliminate duplicates Z: 31 31.444 2.171 0.494 0.611 0.967 0.633 CB 1.648 31 residues pruned to eliminate duplicates Z: 36 38.702 2.185 0.574 0.803 1.000 0.771 CB 1.460 36 residues pruned to eliminate duplicates Z: 38 32.690 2.156 0.556 0.732 0.919 0.676 CB 1.415 38 residues pruned to eliminate duplicates Z: 51 29.060 2.103 0.612 0.556 0.880 0.600 CB 1.305 51 residues pruned to eliminate duplicates Z: 44 38.206 2.178 0.607 0.660 0.953 0.558 CB 1.504 44 residues pruned to eliminate duplicates Z: 46 35.252 2.168 0.558 0.671 0.933 0.556 CB 1.424 46 residues pruned to eliminate duplicates Z: 43 38.133 2.220 0.559 0.676 0.952 0.643 CB 1.518 43 residues pruned to eliminate duplicates Z: 18 17.561 2.043 0.516 0.660 0.882 0.588 CB 1.344 18 residues pruned to eliminate duplicates Z: 42 40.149 2.234 0.627 0.706 0.951 0.683 CB 1.504 42 residues pruned to eliminate duplicates Z: 43 23.876 2.049 0.491 0.503 0.810 0.524 CB 1.485 43 residues pruned to eliminate duplicates Z: 19 21.438 2.106 0.493 0.733 0.944 0.611 CB 1.380 19 residues pruned to eliminate duplicates Z: 20 26.663 2.185 0.710 0.792 0.895 0.684 CB 1.416 20 residues pruned to eliminate duplicates Z: 34 37.813 2.209 0.639 0.821 0.970 0.788 CB 1.419 34 residues pruned to eliminate duplicates Z: 36 41.100 2.207 0.703 0.812 0.971 0.714 CB 1.450 36 residues pruned to eliminate duplicates Z: 18 20.190 2.097 0.626 0.733 0.882 0.588 CB 1.320 18 residues pruned to eliminate duplicates Z: 90 49.939 2.180 0.686 0.587 0.899 0.629 CB 1.475 90 residues pruned to eliminate duplicates Z: 72 42.632 2.175 0.488 0.670 0.930 0.690 CB 1.437 72 residues pruned to eliminate duplicates Z: 91 46.766 2.140 0.641 0.611 0.922 0.622 CB 1.370 91 residues pruned to eliminate duplicates Z: 6 3.202 1.726 0.419 0.232 0.600 0.400 CB 1.330 6 residues pruned to eliminate duplicates Z: 52 32.873 2.106 0.658 0.598 0.902 0.647 CB 1.331 52 residues pruned to eliminate duplicates Z: 62 38.038 2.151 0.558 0.575 0.934 0.590 CB 1.446 62 residues pruned to eliminate duplicates Z: 79 45.640 2.168 0.540 0.611 0.949 0.641 CB 1.468 79 residues pruned to eliminate duplicates Z: 22 17.162 2.091 0.623 0.378 0.905 0.571 CB 1.388 22 residues pruned to eliminate duplicates Z: 96 49.311 2.163 0.676 0.575 0.884 0.663 CB 1.468 96 residues pruned to eliminate duplicates Z: 80 43.317 2.165 0.504 0.610 0.924 0.684 CB 1.460 80 residues pruned to eliminate duplicates Z: 37 26.422 2.115 0.592 0.611 0.889 0.556 CB 1.325 37 residues pruned to eliminate duplicates Z: 24 25.659 2.170 0.601 0.664 0.913 0.739 CB 1.449 24 residues pruned to eliminate duplicates Z: 89 49.548 2.162 0.620 0.633 0.932 0.682 CB 1.428 89 residues pruned to eliminate duplicates Z: 25 24.010 2.103 0.616 0.648 0.917 0.625 CB 1.371 25 residues pruned to eliminate duplicates Z: 75 45.622 2.149 0.657 0.655 0.919 0.676 CB 1.404 75 residues pruned to eliminate duplicates Z: 79 43.066 2.153 0.525 0.602 0.936 0.692 CB 1.439 79 residues pruned to eliminate duplicates Z: 98 49.630 2.145 0.659 0.616 0.918 0.670 CB 1.383 98 residues pruned to eliminate duplicates Z: 57 38.087 2.171 0.657 0.625 0.893 0.679 CB 1.409 57 residues pruned to eliminate duplicates Z: 25 20.976 2.110 0.439 0.658 0.917 0.625 CB 1.328 25 residues pruned to eliminate duplicates Z: 30 22.397 2.031 0.549 0.554 0.897 0.655 CB 1.399 30 residues pruned to eliminate duplicates Z: 25 25.305 2.078 0.800 0.651 0.917 0.708 CB 1.309 25 residues pruned to eliminate duplicates Z: 24 25.283 2.142 0.641 0.657 0.957 0.783 CB 1.355 24 residues pruned to eliminate duplicates Z: 38 24.168 2.090 0.487 0.532 0.892 0.676 CB 1.389 38 residues pruned to eliminate duplicates Z: 22 19.223 1.984 0.700 0.613 0.762 0.571 CB 1.467 22 residues pruned to eliminate duplicates Z: 24 29.831 2.175 0.749 0.666 1.000 0.652 CB 1.402 24 residues pruned to eliminate duplicates Z: 43 24.725 2.087 0.669 0.483 0.857 0.619 CB 1.300 43 residues pruned to eliminate duplicates Z: 25 25.369 2.189 0.634 0.620 0.917 0.667 CB 1.410 25 residues pruned to eliminate duplicates Z: 55 37.892 2.163 0.658 0.636 0.907 0.611 CB 1.395 55 residues pruned to eliminate duplicates Z: 26 27.405 2.108 0.684 0.633 0.960 0.640 CB 1.419 26 residues pruned to eliminate duplicates Z: 51 40.698 2.177 0.697 0.688 0.940 0.680 CB 1.396 51 residues pruned to eliminate duplicates Z: 105 55.853 2.145 0.702 0.664 0.913 0.663 CB 1.411 105 residues pruned to eliminate duplicates Z: 99 48.414 2.139 0.662 0.582 0.908 0.663 CB 1.401 99 residues pruned to eliminate duplicates Z: 62 36.787 2.115 0.700 0.591 0.852 0.639 CB 1.408 62 residues pruned to eliminate duplicates Z: 58 42.977 2.173 0.786 0.653 0.895 0.702 CB 1.422 58 residues pruned to eliminate duplicates Z: 37 32.728 2.127 0.764 0.647 0.889 0.694 CB 1.425 37 residues pruned to eliminate duplicates Z: 39 30.402 2.151 0.760 0.621 0.842 0.737 CB 1.380 39 residues pruned to eliminate duplicates Z: 11 18.628 2.270 1.228 0.482 0.700 0.700 CB 1.694 11 residues pruned to eliminate duplicates Z: 39 32.580 2.154 0.729 0.613 0.895 0.658 CB 1.425 39 residues pruned to eliminate duplicates Z: 37 31.376 2.134 0.648 0.632 0.889 0.694 CB 1.478 37 residues pruned to eliminate duplicates Z: 14 23.565 2.140 0.979 0.519 1.000 0.769 CB 1.514 14 residues pruned to eliminate duplicates Z: 11 25.223 2.337 1.111 0.599 0.900 0.700 CB 1.635 11 residues pruned to eliminate duplicates Z: 37 32.219 2.139 0.729 0.589 0.889 0.694 CB 1.500 37 residues pruned to eliminate duplicates Z: 33 33.615 2.175 0.732 0.651 0.938 0.719 CB 1.463 33 residues pruned to eliminate duplicates Z: 105 59.938 2.172 0.787 0.654 0.923 0.692 CB 1.422 105 residues pruned to eliminate duplicates Z: 39 32.872 2.159 0.754 0.628 0.868 0.763 CB 1.437 39 residues pruned to eliminate duplicates Z: 39 35.564 2.108 0.917 0.614 0.868 0.711 CB 1.475 39 residues pruned to eliminate duplicates Z: 36 32.483 2.118 0.795 0.623 0.914 0.600 CB 1.407 36 residues pruned to eliminate duplicates Z: 28 28.418 2.098 0.717 0.651 0.889 0.704 CB 1.483 28 residues pruned to eliminate duplicates Z: 37 34.240 2.192 0.854 0.630 0.889 0.667 CB 1.397 37 residues pruned to eliminate duplicates Z: 39 25.783 2.053 0.766 0.577 0.842 0.526 CB 1.272 39 residues pruned to eliminate duplicates Z: 38 32.861 2.134 0.880 0.641 0.838 0.622 CB 1.409 38 residues pruned to eliminate duplicates Z: 36 32.009 2.121 0.886 0.662 0.857 0.743 CB 1.358 36 residues pruned to eliminate duplicates Z: 22 27.252 2.114 0.749 0.738 0.905 0.810 CB 1.436 22 residues pruned to eliminate duplicates Z: 38 33.218 2.163 0.891 0.623 0.865 0.649 CB 1.375 38 residues pruned to eliminate duplicates Z: 87 49.077 2.131 0.833 0.624 0.895 0.605 CB 1.346 87 residues pruned to eliminate duplicates Z: 60 50.538 2.216 0.975 0.623 0.898 0.712 CB 1.490 60 residues pruned to eliminate duplicates Z: 60 50.457 2.214 0.925 0.623 0.949 0.712 CB 1.447 60 residues pruned to eliminate duplicates Z: 23 27.604 2.112 0.885 0.690 0.909 0.727 CB 1.367 23 residues pruned to eliminate duplicates Z: 25 19.923 1.969 0.704 0.646 0.875 0.625 CB 1.209 25 residues pruned to eliminate duplicates Z: 114 60.954 2.169 0.814 0.618 0.920 0.584 CB 1.416 114 residues pruned to eliminate duplicates Z: 27 26.389 2.036 0.981 0.609 0.846 0.615 CB 1.367 27 residues pruned to eliminate duplicates Z: 31 25.749 2.007 1.006 0.536 0.800 0.500 CB 1.409 31 residues pruned to eliminate duplicates Z: 39 37.670 2.143 1.025 0.633 0.895 0.579 CB 1.390 39 residues pruned to eliminate duplicates Z: 35 39.729 2.154 1.145 0.652 0.912 0.559 CB 1.404 35 residues pruned to eliminate duplicates Z: 8 6.151 1.877 0.817 0.201 0.857 0.286 CB 1.134 8 residues pruned to eliminate duplicates Z: 51 46.305 2.307 0.811 0.568 0.920 0.560 CB 1.595 51 residues pruned to eliminate duplicates Z: 58 45.587 2.257 0.852 0.585 0.877 0.526 CB 1.518 58 residues pruned to eliminate duplicates Z: 43 35.746 2.233 0.773 0.600 0.881 0.500 CB 1.438 43 residues pruned to eliminate duplicates Z: 44 35.169 2.095 0.884 0.670 0.884 0.605 CB 1.314 44 residues pruned to eliminate duplicates Z: 29 32.689 2.386 0.640 0.465 0.929 0.536 CB 1.763 29 residues pruned to eliminate duplicates Z: 58 40.498 2.174 0.753 0.556 0.895 0.614 CB 1.490 58 residues pruned to eliminate duplicates Z: 19 30.072 2.416 0.737 0.573 0.889 0.611 CB 1.770 19 residues pruned to eliminate duplicates Z: 86 61.096 2.303 0.864 0.599 0.894 0.659 CB 1.572 86 residues pruned to eliminate duplicates Z: 28 33.668 2.431 0.706 0.454 0.926 0.593 CB 1.769 28 residues pruned to eliminate duplicates Z: 57 44.845 2.176 0.971 0.564 0.911 0.518 CB 1.442 57 residues pruned to eliminate duplicates Z: 32 27.434 2.307 0.505 0.431 0.903 0.581 CB 1.686 32 residues pruned to eliminate duplicates Z: 28 28.327 2.299 0.653 0.456 0.852 0.556 CB 1.762 28 residues pruned to eliminate duplicates Z: 26 24.635 2.368 0.673 0.473 0.760 0.520 CB 1.681 26 residues pruned to eliminate duplicates Z: 39 42.310 2.204 0.948 0.629 0.921 0.526 CB 1.538 39 residues pruned to eliminate duplicates Z: 125 57.352 2.126 0.798 0.580 0.895 0.589 CB 1.394 125 residues pruned to eliminate duplicates Z: 29 35.821 2.322 0.788 0.511 0.929 0.607 CB 1.736 29 residues pruned to eliminate duplicates Z: 30 30.915 2.365 0.520 0.481 0.966 0.621 CB 1.686 30 residues pruned to eliminate duplicates Z: 28 35.893 2.379 0.869 0.471 0.926 0.630 CA 1.727 28 residues pruned to eliminate duplicates Z: 34 36.096 2.267 0.784 0.496 0.939 0.667 CB 1.662 34 residues pruned to eliminate duplicates Z: 28 39.754 2.410 0.821 0.496 0.963 0.630 CB 1.818 28 residues pruned to eliminate duplicates Z: 26 42.188 2.480 0.826 0.550 0.960 0.600 CB 1.848 26 residues pruned to eliminate duplicates Z: 54 40.494 2.159 0.896 0.554 0.887 0.585 CB 1.454 54 residues pruned to eliminate duplicates Z: 62 49.746 2.342 0.757 0.515 0.885 0.705 CB 1.723 62 residues pruned to eliminate duplicates Z: 51 51.215 2.259 0.877 0.623 0.960 0.620 CB 1.584 51 residues pruned to eliminate duplicates Z: 29 42.571 2.423 0.690 0.589 1.000 0.750 CB 1.805 29 residues pruned to eliminate duplicates Z: 83 65.424 2.252 0.909 0.633 0.927 0.695 CB 1.600 83 residues pruned to eliminate duplicates Z: 18 38.780 2.346 0.969 0.768 1.000 0.765 CB 1.605 18 residues pruned to eliminate duplicates Z: 64 51.772 2.329 0.746 0.571 0.889 0.683 CB 1.685 64 residues pruned to eliminate duplicates Z: 29 41.759 2.393 0.633 0.650 0.964 0.750 CB 1.822 29 residues pruned to eliminate duplicates Z: 36 31.808 2.278 0.569 0.590 0.857 0.657 CB 1.611 36 residues pruned to eliminate duplicates Z: 31 33.318 2.276 0.697 0.613 0.833 0.633 CB 1.697 31 residues pruned to eliminate duplicates Z: 32 38.547 2.300 0.708 0.602 0.903 0.677 CA 1.770 32 residues pruned to eliminate duplicates Z: 93 54.343 2.196 0.793 0.602 0.902 0.587 CB 1.447 93 residues pruned to eliminate duplicates Z: 30 42.184 2.375 0.692 0.638 0.966 0.759 CB 1.775 30 residues pruned to eliminate duplicates Z: 62 53.792 2.353 0.723 0.573 0.902 0.689 CB 1.755 62 residues pruned to eliminate duplicates Z: 24 49.319 2.447 0.953 0.670 1.000 0.739 CB 1.839 24 residues pruned to eliminate duplicates Z: 23 50.710 2.525 0.986 0.698 0.955 0.727 CA 1.885 23 residues pruned to eliminate duplicates Z: 24 52.863 2.506 1.048 0.711 0.957 0.739 CB 1.854 24 residues pruned to eliminate duplicates Z: 24 53.140 2.509 1.037 0.717 0.957 0.696 CB 1.863 24 residues pruned to eliminate duplicates Z: 35 36.376 2.367 0.626 0.626 0.853 0.706 CB 1.688 35 residues pruned to eliminate duplicates Z: 35 35.294 2.214 0.691 0.541 0.912 0.618 CA 1.703 35 residues pruned to eliminate duplicates Z: 71 51.374 2.306 0.720 0.528 0.914 0.586 CB 1.648 71 residues pruned to eliminate duplicates Z: 31 37.794 2.330 0.803 0.581 0.867 0.700 CB 1.753 31 residues pruned to eliminate duplicates Z: 36 41.367 2.345 0.686 0.600 0.943 0.714 CB 1.704 36 residues pruned to eliminate duplicates Z: 6 5.347 1.886 0.884 0.205 0.800 0.200 CA 1.193 6 residues pruned to eliminate duplicates Z: 37 37.020 2.290 0.695 0.597 0.889 0.667 CB 1.630 37 residues pruned to eliminate duplicates Z: 25 53.814 2.431 1.082 0.695 1.000 0.708 CB 1.816 25 residues pruned to eliminate duplicates Z: 14 18.070 2.256 0.497 0.465 0.846 0.462 CA 1.818 14 residues pruned to eliminate duplicates Z: 36 39.674 2.321 0.714 0.585 0.914 0.714 CB 1.699 36 residues pruned to eliminate duplicates Z: 36 38.949 2.333 0.665 0.595 0.914 0.629 CB 1.693 36 residues pruned to eliminate duplicates Z: 30 42.167 2.378 0.825 0.597 0.966 0.724 CB 1.704 30 residues pruned to eliminate duplicates Z: 24 22.711 1.888 0.704 0.711 0.913 0.739 CB 1.332 24 residues pruned to eliminate duplicates Z: 36 30.419 2.029 0.728 0.640 0.886 0.743 CB 1.453 36 residues pruned to eliminate duplicates Z: 31 32.536 2.030 0.944 0.700 0.900 0.767 CB 1.393 31 residues pruned to eliminate duplicates Z: 122 61.336 2.186 0.759 0.595 0.909 0.628 CB 1.457 122 residues pruned to eliminate duplicates Z: 30 33.015 2.095 0.894 0.685 0.931 0.759 CB 1.401 30 residues pruned to eliminate duplicates Z: 33 26.696 2.002 0.744 0.609 0.906 0.562 CB 1.344 33 residues pruned to eliminate duplicates Z: 30 30.085 2.029 0.838 0.653 0.897 0.655 CB 1.450 30 residues pruned to eliminate duplicates Z: 113 55.785 2.182 0.707 0.582 0.902 0.625 CB 1.450 113 residues pruned to eliminate duplicates Z: 18 27.576 1.949 0.698 0.885 1.000 0.824 CB 1.459 18 residues pruned to eliminate duplicates Z: 38 29.836 2.019 0.749 0.608 0.892 0.649 CB 1.406 38 residues pruned to eliminate duplicates Z: 119 58.586 2.185 0.734 0.615 0.898 0.627 CB 1.421 119 residues pruned to eliminate duplicates Z: 17 30.237 2.019 0.770 0.870 1.000 0.688 CB 1.544 17 residues pruned to eliminate duplicates Z: 17 29.066 1.950 0.868 0.937 1.000 0.688 CB 1.388 17 residues pruned to eliminate duplicates Z: 38 30.858 1.977 0.909 0.574 0.892 0.405 CB 1.404 38 residues pruned to eliminate duplicates Z: 17 30.861 1.946 1.047 0.949 1.000 0.625 CB 1.336 17 residues pruned to eliminate duplicates Z: 67 46.831 2.176 0.918 0.564 0.879 0.606 CB 1.477 67 residues pruned to eliminate duplicates Z: 15 18.723 2.072 0.905 0.369 1.000 0.643 CB 1.459 15 residues pruned to eliminate duplicates Z: 15 17.724 2.122 0.792 0.370 0.929 0.714 CB 1.542 14 residues pruned to eliminate duplicates Z: 6 3.629 1.838 1.230 0.233 0.600 0.600 CB 0.901 6 residues pruned to eliminate duplicates Z: 15 19.696 2.142 0.919 0.385 0.929 0.571 CB 1.559 15 residues pruned to eliminate duplicates Z: 6 6.900 1.767 1.195 0.273 0.800 0.400 C 1.286 Z: 16 19.022 2.051 0.873 0.402 0.933 0.667 CB 1.519 22 residues pruned to eliminate duplicates Z: 6 4.854 1.713 0.746 0.448 0.600 0.400 CB 1.277 Z: 6 9.022 2.072 0.367 0.461 1.000 0.800 CA 1.483 12 residues pruned to eliminate duplicates Z: 33 32.314 2.356 0.811 0.368 0.875 0.406 CB 1.764 33 residues pruned to eliminate duplicates Z: 27 32.977 2.461 0.791 0.399 0.885 0.500 CB 1.847 27 residues pruned to eliminate duplicates Z: 22 31.975 2.365 1.031 0.487 0.857 0.571 CA 1.717 22 residues pruned to eliminate duplicates Z: 31 39.485 2.470 0.889 0.426 0.933 0.467 CB 1.787 31 residues pruned to eliminate duplicates Z: 6 5.323 1.773 0.504 0.624 0.800 0.600 CA 0.993 6 residues pruned to eliminate duplicates Z: 21 34.231 2.398 0.937 0.445 0.950 0.450 CA 1.835 21 residues pruned to eliminate duplicates Z: 7 7.452 2.106 1.038 0.221 0.667 0.333 CA 1.474 7 residues pruned to eliminate duplicates Z: 22 36.717 2.286 1.119 0.506 0.952 0.524 CA 1.726 22 residues pruned to eliminate duplicates Z: 20 41.235 2.457 1.023 0.526 1.000 0.579 CA 1.854 20 residues pruned to eliminate duplicates Z: 6 3.825 1.539 0.542 0.358 0.800 0.400 CA 1.050 6 residues pruned to eliminate duplicates Z: 32 35.696 2.412 0.726 0.430 0.935 0.452 CB 1.770 32 residues pruned to eliminate duplicates Z: 26 27.575 2.377 0.664 0.409 0.880 0.360 CB 1.743 26 residues pruned to eliminate duplicates Z: 9 11.597 2.266 0.605 0.360 0.875 0.250 CB 1.499 9 residues pruned to eliminate duplicates Z: 27 33.515 2.442 0.973 0.455 0.808 0.462 CA 1.768 27 residues pruned to eliminate duplicates Z: 13 18.184 2.264 1.240 0.347 0.750 0.083 CB 1.630 13 residues pruned to eliminate duplicates Z: 16 12.638 2.101 1.058 0.316 0.667 0.333 CB 1.387 16 residues pruned to eliminate duplicates Z: 28 24.167 2.172 0.855 0.382 0.852 0.444 CB 1.537 28 residues pruned to eliminate duplicates Z: 32 35.423 2.351 1.088 0.453 0.839 0.452 CB 1.622 32 residues pruned to eliminate duplicates Z: 13 17.039 2.320 1.130 0.374 0.750 0.417 CB 1.518 13 residues pruned to eliminate duplicates Z: 38 34.261 2.274 0.733 0.568 0.892 0.541 CB 1.501 38 residues pruned to eliminate duplicates Z: 21 16.295 2.015 0.867 0.407 0.700 0.400 CB 1.526 21 residues pruned to eliminate duplicates Z: 35 17.570 1.991 0.770 0.316 0.824 0.412 CB 1.272 35 residues pruned to eliminate duplicates Z: 18 20.103 2.198 0.704 0.516 0.824 0.588 CB 1.555 18 residues pruned to eliminate duplicates Z: 42 36.489 2.317 0.956 0.464 0.805 0.439 CB 1.620 42 residues pruned to eliminate duplicates Z: 6 2.276 1.668 0.241 0.151 0.600 0.200 CA 1.259 6 residues pruned to eliminate duplicates Z: 14 15.306 2.163 0.554 0.390 0.923 0.462 CB 1.538 14 residues pruned to eliminate duplicates Z: 24 15.010 1.885 0.755 0.347 0.826 0.478 CB 1.352 24 residues pruned to eliminate duplicates Z: 14 12.229 2.131 0.394 0.364 0.846 0.462 CB 1.561 14 residues pruned to eliminate duplicates Z: 25 18.419 2.101 0.642 0.327 0.833 0.333 CB 1.583 25 residues pruned to eliminate duplicates Z: 41 33.925 2.321 0.788 0.423 0.800 0.475 CB 1.751 41 residues pruned to eliminate duplicates Z: 85 52.128 2.236 0.819 0.560 0.893 0.571 CB 1.478 85 residues pruned to eliminate duplicates Z: 19 14.360 1.903 0.911 0.352 0.722 0.444 CB 1.513 19 residues pruned to eliminate duplicates Z: 8 8.755 1.887 0.873 0.402 0.714 0.429 CB 1.452 8 residues pruned to eliminate duplicates Z: 73 54.644 2.252 0.906 0.602 0.875 0.583 CB 1.556 73 residues pruned to eliminate duplicates Z: 40 34.139 2.262 0.782 0.518 0.872 0.615 CB 1.529 40 residues pruned to eliminate duplicates Z: 85 51.624 2.212 0.763 0.576 0.929 0.524 CB 1.445 85 residues pruned to eliminate duplicates Z: 75 47.273 2.230 0.815 0.566 0.878 0.595 CB 1.450 75 residues pruned to eliminate duplicates Z: 107 49.491 2.118 0.694 0.542 0.906 0.547 CB 1.421 107 residues pruned to eliminate duplicates Z: 98 49.074 2.131 0.721 0.560 0.897 0.577 CB 1.430 98 residues pruned to eliminate duplicates Z: 100 49.333 2.133 0.775 0.554 0.869 0.556 CB 1.430 106 residues pruned to eliminate duplicates Z: 100 53.882 2.159 0.765 0.568 0.899 0.556 CB 1.481 100 residues pruned to eliminate duplicates Z: 14 32.872 2.334 0.987 0.812 0.923 0.538 CB 1.623 14 residues pruned to eliminate duplicates Z: 69 49.697 2.244 0.834 0.567 0.912 0.500 CB 1.506 69 residues pruned to eliminate duplicates Z: 119 55.666 2.167 0.791 0.532 0.881 0.559 CB 1.452 119 residues pruned to eliminate duplicates Z: 74 51.034 2.217 0.876 0.567 0.890 0.616 CB 1.511 74 residues pruned to eliminate duplicates Z: 101 51.920 2.145 0.750 0.554 0.900 0.600 CB 1.459 101 residues pruned to eliminate duplicates Z: 85 51.048 2.203 0.788 0.568 0.881 0.583 CB 1.503 85 residues pruned to eliminate duplicates Z: 81 47.267 2.151 0.784 0.519 0.900 0.600 CB 1.502 81 residues pruned to eliminate duplicates Z: 101 50.114 2.127 0.751 0.552 0.880 0.560 CB 1.454 101 residues pruned to eliminate duplicates Z: 76 52.309 2.222 0.875 0.570 0.893 0.640 CB 1.517 76 residues pruned to eliminate duplicates Z: 75 53.375 2.239 0.887 0.583 0.905 0.568 CB 1.498 75 residues pruned to eliminate duplicates Z: 39 33.097 2.207 0.768 0.497 0.895 0.526 CB 1.544 39 residues pruned to eliminate duplicates Z: 74 52.934 2.239 0.868 0.578 0.904 0.616 CB 1.520 74 residues pruned to eliminate duplicates Z: 75 55.724 2.244 0.914 0.581 0.932 0.568 CB 1.496 75 residues pruned to eliminate duplicates Z: 74 51.232 2.210 0.808 0.590 0.932 0.562 CB 1.477 74 residues pruned to eliminate duplicates Z: 81 52.113 2.193 0.791 0.569 0.925 0.575 CB 1.500 81 residues pruned to eliminate duplicates Z: 98 53.795 2.143 0.789 0.553 0.938 0.577 CB 1.442 98 residues pruned to eliminate duplicates Z: 84 52.585 2.215 0.789 0.552 0.916 0.542 CB 1.512 84 residues pruned to eliminate duplicates Z: 94 52.116 2.133 0.832 0.567 0.892 0.602 CB 1.452 94 residues pruned to eliminate duplicates Z: 38 37.903 2.288 0.839 0.520 0.919 0.595 CB 1.579 38 residues pruned to eliminate duplicates Z: 94 54.149 2.149 0.811 0.573 0.935 0.667 CB 1.438 94 residues pruned to eliminate duplicates Z: 8 5.845 1.802 0.640 0.282 0.857 0.571 CA 1.115 8 residues pruned to eliminate duplicates Z: 73 55.408 2.256 0.860 0.603 0.944 0.639 CB 1.494 73 residues pruned to eliminate duplicates Z: 90 51.400 2.142 0.789 0.559 0.910 0.629 CB 1.476 90 residues pruned to eliminate duplicates Z: 69 50.630 2.228 0.810 0.602 0.926 0.603 CB 1.492 69 residues pruned to eliminate duplicates Z: 112 66.513 2.269 0.922 0.531 0.874 0.523 CB 1.607 112 residues pruned to eliminate duplicates Z: 74 56.248 2.253 0.924 0.600 0.904 0.562 CB 1.527 74 residues pruned to eliminate duplicates Z: 99 54.093 2.133 0.835 0.573 0.898 0.612 CB 1.450 99 residues pruned to eliminate duplicates Z: 71 56.885 2.264 0.903 0.617 0.943 0.629 CB 1.499 71 residues pruned to eliminate duplicates Z: 27 24.439 2.234 0.626 0.526 0.808 0.577 CB 1.592 27 residues pruned to eliminate duplicates Z: 113 57.844 2.169 0.788 0.563 0.920 0.643 CB 1.442 113 residues pruned to eliminate duplicates Z: 78 50.392 2.198 0.835 0.562 0.922 0.558 CB 1.453 85 residues pruned to eliminate duplicates Z: 99 58.176 2.158 0.899 0.565 0.908 0.653 CB 1.483 99 residues pruned to eliminate duplicates Z: 59 36.303 2.022 0.743 0.583 0.914 0.672 CB 1.367 60 residues pruned to eliminate duplicates Z: 15 26.644 2.198 0.985 0.746 0.857 0.429 CA 1.528 15 residues pruned to eliminate duplicates Z: 101 54.231 2.137 0.839 0.545 0.910 0.630 CB 1.452 101 residues pruned to eliminate duplicates Z: 83 50.175 2.164 0.824 0.563 0.902 0.634 CB 1.463 83 residues pruned to eliminate duplicates Z: 35 36.630 2.145 0.878 0.671 0.971 0.676 CB 1.372 35 residues pruned to eliminate duplicates Z: 71 57.592 2.273 0.925 0.608 0.943 0.600 CB 1.505 71 residues pruned to eliminate duplicates Z: 73 55.009 2.261 0.866 0.602 0.931 0.583 CB 1.499 73 residues pruned to eliminate duplicates Z: 99 52.164 2.151 0.815 0.563 0.888 0.612 CB 1.431 99 residues pruned to eliminate duplicates Z: 75 53.586 2.240 0.856 0.590 0.919 0.554 CB 1.496 75 residues pruned to eliminate duplicates Z: 61 38.677 2.054 0.734 0.610 0.950 0.650 CB 1.329 61 residues pruned to eliminate duplicates Z: 85 50.911 2.200 0.806 0.558 0.881 0.643 CB 1.500 85 residues pruned to eliminate duplicates Z: 109 58.425 2.174 0.842 0.553 0.907 0.639 CB 1.470 109 residues pruned to eliminate duplicates Z: 28 19.056 1.970 0.721 0.536 0.852 0.667 CB 1.226 28 residues pruned to eliminate duplicates Z: 34 36.364 2.155 0.967 0.677 0.939 0.667 CB 1.351 34 residues pruned to eliminate duplicates Z: 100 55.167 2.131 0.842 0.570 0.909 0.576 CB 1.451 100 residues pruned to eliminate duplicates Z: 82 53.042 2.250 0.810 0.568 0.901 0.568 CB 1.504 82 residues pruned to eliminate duplicates Z: 58 37.897 2.061 0.806 0.598 0.947 0.684 CB 1.296 58 residues pruned to eliminate duplicates Z: 77 51.933 2.192 0.938 0.567 0.921 0.566 CB 1.428 77 residues pruned to eliminate duplicates Z: 99 54.826 2.120 0.826 0.582 0.939 0.602 CB 1.409 99 residues pruned to eliminate duplicates Z: 114 55.613 2.136 0.798 0.561 0.912 0.611 CB 1.409 114 residues pruned to eliminate duplicates Z: 76 54.620 2.214 0.894 0.601 0.933 0.573 CB 1.464 76 residues pruned to eliminate duplicates Z: 88 56.020 2.237 0.885 0.582 0.885 0.483 CB 1.488 88 residues pruned to eliminate duplicates Z: 59 34.906 2.015 0.834 0.567 0.879 0.586 CB 1.322 59 residues pruned to eliminate duplicates Z: 99 55.878 2.153 0.860 0.566 0.929 0.633 CB 1.424 98 residues pruned to eliminate duplicates Z: 15 16.780 1.938 0.962 0.790 0.929 0.714 CB 0.985 15 residues pruned to eliminate duplicates Z: 57 35.160 2.028 0.795 0.601 0.893 0.625 CB 1.313 57 residues pruned to eliminate duplicates Z: 60 37.958 2.022 0.797 0.600 0.881 0.678 CB 1.403 60 residues pruned to eliminate duplicates 724 residues left after pruning, divided into chains as follows: A: 17 B: 16 C: 165 D: 19 E: 18 F: 11 G: 16 H: 36 I: 103 J: 174 K: 12 L: 137 CC for partial structure against native data = 42.92 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.487, Connect. = 0.761 for dens.mod. cycle 1 = 0.300, Contrast = 0.558, Connect. = 0.785 for dens.mod. cycle 2 = 0.300, Contrast = 0.673, Connect. = 0.810 for dens.mod. cycle 3 = 0.300, Contrast = 0.688, Connect. = 0.812 for dens.mod. cycle 4 = 0.300, Contrast = 0.702, Connect. = 0.813 for dens.mod. cycle 5 = 0.300, Contrast = 0.710, Connect. = 0.815 for dens.mod. cycle 6 = 0.300, Contrast = 0.716, Connect. = 0.816 for dens.mod. cycle 7 = 0.300, Contrast = 0.720, Connect. = 0.817 for dens.mod. cycle 8 = 0.300, Contrast = 0.723, Connect. = 0.818 for dens.mod. cycle 9 = 0.300, Contrast = 0.725, Connect. = 0.818 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4377 peaks > 0.5 sigma used to seed fragment search Space for about 1045 unique residues taking solvent into account 1029 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 27 38.666 2.415 0.824 0.481 0.962 0.423 CB 1.824 B: 18 31.891 2.230 0.794 0.792 1.000 0.882 CB 1.496 C: 13 31.253 2.371 0.809 0.846 0.917 0.667 CB 1.705 D: 21 41.363 2.351 0.842 0.879 0.950 0.750 CA 1.631 E: 20 49.333 2.391 0.952 0.940 0.947 0.684 CA 1.779 21 residues pruned to eliminate duplicates F: 11 25.850 2.180 0.799 0.893 1.000 0.800 CA 1.496 11 residues pruned to eliminate duplicates G: 16 46.248 2.366 1.124 0.899 1.000 0.800 CB 1.699 H: 11 33.495 2.658 0.626 0.830 1.000 0.800 CB 1.843 11 residues pruned to eliminate duplicates I: 16 45.632 2.392 1.188 0.912 0.933 0.867 CB 1.709 16 residues pruned to eliminate duplicates J: 15 30.862 2.256 0.683 0.941 1.000 0.929 CB 1.507 15 residues pruned to eliminate duplicates K: 22 33.223 2.210 0.611 0.886 0.952 0.667 CB 1.543 L: 112 53.973 2.168 0.793 0.525 0.865 0.532 CB 1.487 10 residues pruned to eliminate duplicates M: 14 24.647 2.190 0.669 0.792 0.923 0.692 CB 1.568 N: 11 29.148 2.622 0.859 0.788 0.800 0.800 CB 1.835 11 residues pruned to eliminate duplicates O: 21 37.863 2.396 0.948 0.587 0.950 0.650 CB 1.758 10 residues pruned to eliminate duplicates P: 13 25.657 2.411 0.724 0.698 1.000 0.500 CB 1.487 13 residues pruned to eliminate duplicates Q: 15 29.099 2.231 0.671 0.921 1.000 0.929 CB 1.468 15 residues pruned to eliminate duplicates R: 15 52.689 2.510 1.275 0.893 1.000 0.857 CB 1.770 S: 15 15.952 2.141 0.846 0.455 0.786 0.571 CB 1.437 T: 16 24.247 2.217 0.353 0.806 1.000 0.600 CB 1.598 16 residues pruned to eliminate duplicates U: 21 53.513 2.446 0.905 0.923 1.000 0.750 CB 1.805 20 residues pruned to eliminate duplicates V: 14 29.038 2.254 0.611 0.919 1.000 0.846 CB 1.563 14 residues pruned to eliminate duplicates W: 15 55.839 2.443 1.560 0.882 1.000 0.643 CB 1.727 15 residues pruned to eliminate duplicates X: 21 44.367 2.401 0.782 0.918 0.950 0.650 CB 1.722 21 residues pruned to eliminate duplicates Y: 39 40.798 2.289 0.587 0.853 0.816 0.684 CB 1.651 21 residues pruned to eliminate duplicates Z: 17 28.743 2.159 0.817 0.755 0.938 0.562 CA 1.557 17 residues pruned to eliminate duplicates Z: 14 25.583 2.283 0.534 0.765 1.000 0.538 CB 1.602 14 residues pruned to eliminate duplicates Z: 25 39.262 2.425 0.869 0.635 0.958 0.708 CB 1.625 14 residues pruned to eliminate duplicates Z: 66 47.976 2.213 0.826 0.576 0.923 0.585 CB 1.483 24 residues pruned to eliminate duplicates Z: 23 41.711 2.238 1.000 0.888 0.955 0.727 CB 1.500 23 residues pruned to eliminate duplicates Z: 14 46.496 2.438 1.205 0.895 1.000 0.846 CB 1.720 14 residues pruned to eliminate duplicates Z: 14 38.120 2.301 1.089 0.920 1.000 0.923 CB 1.549 18 residues pruned to eliminate duplicates Z: 9 15.526 2.125 0.442 0.619 0.875 0.500 CB 1.828 Z: 36 39.523 2.139 0.733 0.869 0.943 0.629 CB 1.396 22 residues pruned to eliminate duplicates Z: 10 18.714 2.310 0.717 0.611 0.889 0.778 CA 1.592 10 residues pruned to eliminate duplicates Z: 34 29.421 2.102 0.618 0.662 0.909 0.758 CB 1.426 9 residues pruned to eliminate duplicates Z: 15 37.586 2.455 0.684 0.898 1.000 0.857 CB 1.737 15 residues pruned to eliminate duplicates Z: 10 9.533 2.166 0.844 0.302 0.778 0.222 CB 1.276 Z: 16 14.635 1.983 0.813 0.345 0.933 0.733 CB 1.332 Z: 18 25.597 2.067 0.739 0.772 0.941 0.588 CA 1.443 18 residues pruned to eliminate duplicates Z: 20 25.871 2.074 0.872 0.625 0.895 0.737 CA 1.519 20 residues pruned to eliminate duplicates Z: 65 53.320 2.339 0.712 0.586 0.922 0.703 CB 1.663 40 residues pruned to eliminate duplicates Z: 28 43.895 2.417 0.783 0.639 0.963 0.778 CB 1.787 18 residues pruned to eliminate duplicates Z: 16 16.903 2.106 0.806 0.452 0.867 0.600 CB 1.392 16 residues pruned to eliminate duplicates Z: 15 32.431 2.269 0.789 0.888 0.929 0.857 CB 1.657 15 residues pruned to eliminate duplicates Z: 13 15.056 2.201 0.709 0.372 0.833 0.750 CB 1.590 13 residues pruned to eliminate duplicates Z: 16 27.369 2.041 0.580 0.903 1.000 0.867 CB 1.562 Z: 6 2.860 1.479 0.125 0.649 0.600 0.600 C 1.115 6 residues pruned to eliminate duplicates Z: 14 24.636 2.172 0.802 0.828 0.846 0.846 CB 1.553 Z: 61 52.787 2.244 0.929 0.592 0.933 0.667 CB 1.544 64 residues pruned to eliminate duplicates Z: 15 48.487 2.427 1.127 0.941 1.000 0.857 CB 1.743 15 residues pruned to eliminate duplicates Z: 111 57.542 2.278 0.742 0.500 0.882 0.536 CB 1.568 111 residues pruned to eliminate duplicates Z: 17 24.297 2.165 0.560 0.736 0.938 0.625 CB 1.552 17 residues pruned to eliminate duplicates Z: 12 30.016 2.199 1.046 0.865 1.000 0.818 CB 1.473 11 residues pruned to eliminate duplicates Z: 17 36.653 2.259 0.878 0.875 1.000 0.812 CB 1.571 17 residues pruned to eliminate duplicates Z: 31 33.782 2.374 0.735 0.445 0.900 0.400 CB 1.760 20 residues pruned to eliminate duplicates Z: 14 26.096 2.153 0.970 0.779 0.923 0.615 CB 1.445 14 residues pruned to eliminate duplicates Z: 12 16.468 2.097 0.350 0.811 1.000 0.727 CB 1.338 12 residues pruned to eliminate duplicates Z: 20 44.877 2.338 0.998 0.900 0.947 0.842 CA 1.661 20 residues pruned to eliminate duplicates Z: 35 25.045 2.123 0.464 0.636 0.912 0.676 CB 1.334 35 residues pruned to eliminate duplicates Z: 71 62.318 2.347 0.761 0.674 0.971 0.700 CB 1.581 56 residues pruned to eliminate duplicates Z: 21 45.996 2.389 0.920 0.885 0.950 0.800 CB 1.704 21 residues pruned to eliminate duplicates Z: 13 21.049 2.132 0.512 0.848 0.917 0.667 CA 1.526 Z: 14 20.595 2.242 0.722 0.723 0.846 0.538 CA 1.430 14 residues pruned to eliminate duplicates Z: 12 30.621 2.315 0.739 0.876 1.000 0.727 CB 1.667 13 residues pruned to eliminate duplicates Z: 17 19.360 1.997 0.231 0.901 0.938 0.812 CA 1.500 17 residues pruned to eliminate duplicates Z: 16 40.333 2.346 1.063 0.902 0.933 0.800 CB 1.645 16 residues pruned to eliminate duplicates Z: 7 16.712 2.177 1.312 0.563 1.000 0.667 CB 1.275 Z: 34 34.736 2.290 0.728 0.532 0.848 0.667 CB 1.746 29 residues pruned to eliminate duplicates Z: 16 32.266 2.194 0.952 0.789 0.933 0.533 CB 1.617 Z: 12 24.747 2.309 0.694 0.775 0.909 0.727 CB 1.645 12 residues pruned to eliminate duplicates Z: 16 42.452 2.351 1.049 0.860 1.000 0.800 CB 1.673 16 residues pruned to eliminate duplicates Z: 16 27.547 2.214 0.814 0.825 0.933 0.800 CB 1.432 16 residues pruned to eliminate duplicates Z: 25 27.033 2.408 0.756 0.357 0.875 0.542 CB 1.741 25 residues pruned to eliminate duplicates Z: 38 47.369 2.339 0.607 0.855 0.919 0.811 CB 1.664 38 residues pruned to eliminate duplicates Z: 46 28.835 2.168 0.631 0.461 0.867 0.578 CB 1.460 46 residues pruned to eliminate duplicates Z: 16 21.989 1.988 0.367 0.860 0.933 0.867 CB 1.646 16 residues pruned to eliminate duplicates Z: 23 33.023 2.187 0.822 0.850 0.864 0.636 CB 1.516 23 residues pruned to eliminate duplicates Z: 60 42.828 2.163 0.624 0.617 0.932 0.661 CB 1.525 60 residues pruned to eliminate duplicates Z: 16 21.774 2.094 0.278 0.908 0.933 0.867 CA 1.599 16 residues pruned to eliminate duplicates Z: 33 34.166 2.305 0.817 0.524 0.906 0.625 CB 1.554 33 residues pruned to eliminate duplicates Z: 50 52.512 2.389 0.818 0.601 0.939 0.673 CB 1.670 51 residues pruned to eliminate duplicates Z: 33 28.369 2.257 0.699 0.487 0.844 0.688 CB 1.570 33 residues pruned to eliminate duplicates Z: 13 31.016 2.220 0.937 0.841 1.000 0.750 CB 1.553 13 residues pruned to eliminate duplicates Z: 21 48.848 2.404 1.027 0.918 0.950 0.650 CB 1.664 21 residues pruned to eliminate duplicates Z: 72 56.835 2.265 0.884 0.579 0.930 0.549 CB 1.576 52 residues pruned to eliminate duplicates Z: 30 38.054 2.391 0.901 0.442 0.931 0.379 CB 1.772 30 residues pruned to eliminate duplicates Z: 16 13.151 2.148 0.649 0.287 0.733 0.400 CB 1.661 16 residues pruned to eliminate duplicates Z: 13 22.877 2.061 0.606 0.911 1.000 0.750 CB 1.414 13 residues pruned to eliminate duplicates Z: 16 23.465 2.190 0.480 0.850 1.000 0.733 CB 1.384 16 residues pruned to eliminate duplicates Z: 38 35.162 2.198 0.843 0.476 0.946 0.486 CB 1.546 38 residues pruned to eliminate duplicates Z: 55 45.237 2.203 0.763 0.604 0.907 0.630 CB 1.583 55 residues pruned to eliminate duplicates Z: 53 47.637 2.221 0.939 0.612 0.885 0.615 CB 1.558 53 residues pruned to eliminate duplicates Z: 11 17.939 2.095 0.342 0.909 1.000 0.900 CB 1.432 11 residues pruned to eliminate duplicates Z: 37 35.636 2.294 0.675 0.574 0.861 0.694 CB 1.672 37 residues pruned to eliminate duplicates Z: 68 55.808 2.320 0.796 0.593 0.970 0.597 CB 1.542 68 residues pruned to eliminate duplicates Z: 16 30.320 2.304 0.693 0.832 0.933 0.800 CA 1.613 16 residues pruned to eliminate duplicates Z: 21 50.890 2.401 0.915 0.928 1.000 0.850 CA 1.732 21 residues pruned to eliminate duplicates Z: 15 26.032 2.090 0.486 0.908 1.000 0.786 CB 1.591 15 residues pruned to eliminate duplicates Z: 47 27.721 2.200 0.645 0.318 0.848 0.370 CB 1.628 47 residues pruned to eliminate duplicates Z: 16 27.828 2.126 0.809 0.753 0.933 0.600 CB 1.598 16 residues pruned to eliminate duplicates Z: 15 13.068 2.237 0.638 0.472 0.714 0.571 CB 1.372 15 residues pruned to eliminate duplicates Z: 15 39.526 2.321 0.941 0.923 1.000 0.929 CB 1.649 15 residues pruned to eliminate duplicates Z: 100 56.833 2.208 0.931 0.532 0.909 0.535 CB 1.427 71 residues pruned to eliminate duplicates Z: 18 24.353 2.047 1.050 0.564 0.882 0.647 CB 1.500 18 residues pruned to eliminate duplicates Z: 107 65.282 2.229 0.785 0.643 0.925 0.670 CB 1.508 107 residues pruned to eliminate duplicates Z: 30 36.829 2.322 0.702 0.649 0.931 0.655 CB 1.618 28 residues pruned to eliminate duplicates Z: 20 48.219 2.448 0.795 0.911 1.000 0.789 CB 1.783 20 residues pruned to eliminate duplicates Z: 13 21.492 2.213 0.381 0.862 0.917 0.750 CB 1.627 13 residues pruned to eliminate duplicates Z: 49 52.682 2.397 0.828 0.611 0.958 0.604 CB 1.629 49 residues pruned to eliminate duplicates Z: 16 28.500 2.152 0.882 0.790 0.867 0.667 CB 1.625 16 residues pruned to eliminate duplicates Z: 12 36.529 2.166 1.159 0.813 1.000 0.727 CB 1.794 12 residues pruned to eliminate duplicates Z: 67 42.633 2.222 0.824 0.557 0.833 0.606 CB 1.471 67 residues pruned to eliminate duplicates Z: 9 23.998 2.398 0.532 0.910 1.000 0.500 CA 1.638 9 residues pruned to eliminate duplicates Z: 21 39.314 2.164 0.770 0.910 1.000 0.800 CB 1.628 21 residues pruned to eliminate duplicates Z: 16 31.545 2.257 0.922 0.744 0.933 0.600 CB 1.617 16 residues pruned to eliminate duplicates Z: 14 24.543 2.189 0.702 0.839 0.846 0.769 CA 1.613 14 residues pruned to eliminate duplicates Z: 35 37.033 2.266 0.772 0.518 0.941 0.676 CB 1.650 35 residues pruned to eliminate duplicates Z: 20 45.442 2.466 0.638 0.920 1.000 0.842 CB 1.817 20 residues pruned to eliminate duplicates Z: 51 33.199 2.150 0.538 0.651 0.860 0.600 CB 1.434 36 residues pruned to eliminate duplicates Z: 12 31.033 2.514 0.700 0.826 0.909 0.636 CB 1.816 12 residues pruned to eliminate duplicates Z: 35 35.424 2.137 0.534 0.846 0.971 0.765 CB 1.419 36 residues pruned to eliminate duplicates Z: 99 61.455 2.243 0.855 0.572 0.929 0.633 CB 1.499 100 residues pruned to eliminate duplicates Z: 16 33.487 2.446 0.950 0.803 0.800 0.333 CB 1.740 16 residues pruned to eliminate duplicates Z: 13 25.056 2.323 0.740 0.776 0.833 0.667 CA 1.683 13 residues pruned to eliminate duplicates Z: 17 37.279 2.119 1.029 0.952 1.000 0.750 CB 1.493 17 residues pruned to eliminate duplicates Z: 17 33.676 2.132 0.942 0.766 1.000 0.500 CA 1.607 17 residues pruned to eliminate duplicates Z: 15 29.074 2.105 0.720 0.936 1.000 0.643 CB 1.494 Z: 36 34.339 2.136 0.504 0.856 0.971 0.686 CB 1.371 36 residues pruned to eliminate duplicates Z: 11 19.794 2.460 0.484 0.437 1.000 0.400 CB 1.830 11 residues pruned to eliminate duplicates Z: 21 37.499 2.378 0.461 0.912 1.000 0.750 CB 1.709 21 residues pruned to eliminate duplicates Z: 8 14.320 2.046 0.580 0.750 0.857 0.571 CB 1.562 8 residues pruned to eliminate duplicates Z: 14 25.038 2.176 0.635 0.924 0.923 0.846 CB 1.485 14 residues pruned to eliminate duplicates Z: 15 23.816 2.015 0.730 0.922 0.929 0.429 CB 1.382 15 residues pruned to eliminate duplicates Z: 17 28.366 2.011 0.620 0.934 1.000 0.688 CB 1.518 16 residues pruned to eliminate duplicates Z: 31 17.604 1.798 0.698 0.445 0.867 0.533 CB 1.286 30 residues pruned to eliminate duplicates Z: 21 47.731 2.359 0.936 0.902 0.950 0.650 CB 1.754 21 residues pruned to eliminate duplicates Z: 11 22.053 2.301 0.270 0.888 1.000 1.000 CA 1.719 11 residues pruned to eliminate duplicates Z: 21 37.646 2.226 0.653 0.923 1.000 0.850 CB 1.608 20 residues pruned to eliminate duplicates Z: 23 37.697 2.222 0.866 0.896 0.909 0.636 CB 1.527 23 residues pruned to eliminate duplicates Z: 18 26.361 2.279 0.499 0.851 0.941 0.882 CB 1.472 18 residues pruned to eliminate duplicates Z: 16 47.800 2.356 1.140 0.916 1.000 0.867 CB 1.729 16 residues pruned to eliminate duplicates Z: 39 31.459 2.248 0.542 0.545 0.868 0.658 CB 1.622 39 residues pruned to eliminate duplicates Z: 14 21.169 2.291 0.382 0.778 0.923 0.692 CA 1.571 14 residues pruned to eliminate duplicates Z: 15 42.011 2.343 1.244 0.820 0.929 0.857 CB 1.742 15 residues pruned to eliminate duplicates Z: 38 44.589 2.290 0.653 0.856 0.892 0.703 CB 1.602 38 residues pruned to eliminate duplicates Z: 28 29.359 2.347 0.761 0.393 0.852 0.444 CB 1.797 28 residues pruned to eliminate duplicates Z: 26 32.341 2.457 0.859 0.417 0.840 0.360 CB 1.839 26 residues pruned to eliminate duplicates Z: 17 33.685 2.079 0.993 0.915 1.000 0.562 CB 1.437 17 residues pruned to eliminate duplicates Z: 20 26.468 2.440 0.683 0.470 0.895 0.474 CB 1.704 20 residues pruned to eliminate duplicates Z: 29 39.275 2.436 0.913 0.496 0.929 0.643 CB 1.722 29 residues pruned to eliminate duplicates Z: 16 33.822 2.231 0.982 0.816 0.933 0.600 CB 1.607 16 residues pruned to eliminate duplicates Z: 14 27.932 2.350 0.748 0.815 0.923 0.769 CA 1.554 14 residues pruned to eliminate duplicates Z: 11 17.107 2.185 0.880 0.571 0.800 0.700 CB 1.537 10 residues pruned to eliminate duplicates Z: 14 38.433 2.326 0.866 0.853 1.000 0.692 CB 1.815 14 residues pruned to eliminate duplicates Z: 71 42.637 2.146 0.561 0.678 0.914 0.686 CB 1.413 71 residues pruned to eliminate duplicates Z: 10 16.593 1.937 0.664 0.701 1.000 0.556 CA 1.428 10 residues pruned to eliminate duplicates Z: 18 27.853 2.149 0.785 0.815 0.941 0.765 CB 1.424 18 residues pruned to eliminate duplicates Z: 35 18.080 1.964 0.812 0.323 0.765 0.529 CB 1.385 35 residues pruned to eliminate duplicates Z: 6 12.851 1.795 0.829 0.770 1.000 0.800 N 1.379 6 residues pruned to eliminate duplicates Z: 15 34.318 2.244 0.893 0.833 1.000 0.643 CB 1.619 15 residues pruned to eliminate duplicates Z: 21 38.193 2.204 0.656 0.942 1.000 1.000 CB 1.623 21 residues pruned to eliminate duplicates Z: 16 23.876 1.990 0.624 0.931 1.000 0.933 CB 1.334 16 residues pruned to eliminate duplicates Z: 14 30.719 2.318 0.729 0.862 0.923 0.846 CB 1.691 14 residues pruned to eliminate duplicates Z: 40 35.980 2.224 0.713 0.566 0.949 0.692 CB 1.496 40 residues pruned to eliminate duplicates Z: 15 34.069 2.278 0.790 0.848 1.000 0.786 CB 1.656 15 residues pruned to eliminate duplicates Z: 16 21.578 1.941 0.493 0.939 1.000 0.933 CB 1.335 16 residues pruned to eliminate duplicates Z: 8 22.564 2.522 0.315 0.915 1.000 1.000 CB 1.818 8 residues pruned to eliminate duplicates Z: 39 30.367 2.114 0.673 0.607 0.895 0.658 CB 1.406 39 residues pruned to eliminate duplicates Z: 9 13.062 2.046 0.710 0.640 0.875 0.750 CB 1.323 9 residues pruned to eliminate duplicates Z: 16 20.630 2.039 0.153 0.931 1.000 0.933 CB 1.584 16 residues pruned to eliminate duplicates Z: 15 27.903 2.320 0.696 0.640 0.929 0.571 CB 1.790 15 residues pruned to eliminate duplicates Z: 17 23.463 2.114 0.741 0.705 0.812 0.562 CA 1.628 17 residues pruned to eliminate duplicates Z: 27 44.733 2.456 0.854 0.636 0.923 0.769 CB 1.837 27 residues pruned to eliminate duplicates Z: 38 50.566 2.362 0.643 0.871 0.919 0.757 CB 1.700 38 residues pruned to eliminate duplicates Z: 16 24.242 1.939 0.512 0.877 1.000 0.867 CB 1.551 16 residues pruned to eliminate duplicates Z: 15 40.278 2.364 0.819 0.901 1.000 0.857 CA 1.787 15 residues pruned to eliminate duplicates Z: 16 33.157 2.033 0.941 0.930 1.000 0.667 CB 1.517 17 residues pruned to eliminate duplicates Z: 38 34.312 2.076 0.551 0.823 0.973 0.730 CB 1.361 38 residues pruned to eliminate duplicates Z: 21 47.031 2.402 0.814 0.916 0.950 0.850 CB 1.794 21 residues pruned to eliminate duplicates Z: 16 20.829 2.101 0.325 0.918 0.933 0.933 CA 1.459 16 residues pruned to eliminate duplicates Z: 16 38.100 2.259 1.061 0.904 0.933 0.800 CB 1.612 16 residues pruned to eliminate duplicates Z: 12 23.745 2.273 0.425 0.873 1.000 0.909 CB 1.610 12 residues pruned to eliminate duplicates Z: 21 18.144 2.021 0.786 0.557 0.900 0.550 CB 1.182 21 residues pruned to eliminate duplicates Z: 14 17.671 1.986 0.761 0.548 0.923 0.692 CB 1.449 Z: 24 21.039 2.252 0.777 0.472 0.739 0.478 CB 1.526 24 residues pruned to eliminate duplicates Z: 84 54.851 2.253 0.838 0.562 0.904 0.566 CB 1.515 84 residues pruned to eliminate duplicates Z: 32 33.087 2.116 0.766 0.696 0.935 0.677 CB 1.420 32 residues pruned to eliminate duplicates Z: 25 21.950 2.076 0.728 0.505 0.875 0.542 CB 1.421 25 residues pruned to eliminate duplicates Z: 20 21.957 2.013 0.617 0.547 0.947 0.789 CB 1.560 Z: 31 32.631 2.344 0.507 0.500 0.933 0.600 CB 1.806 31 residues pruned to eliminate duplicates Z: 11 24.453 1.959 0.919 0.887 1.000 0.900 CB 1.484 11 residues pruned to eliminate duplicates Z: 16 25.504 2.022 0.397 0.925 1.000 1.000 CB 1.635 16 residues pruned to eliminate duplicates Z: 61 43.020 2.126 0.859 0.581 0.950 0.650 CB 1.368 61 residues pruned to eliminate duplicates Z: 6 9.784 1.742 0.593 0.775 1.000 0.800 N 1.236 6 residues pruned to eliminate duplicates Z: 6 6.677 1.660 0.270 0.719 1.000 0.600 CA 1.161 6 residues pruned to eliminate duplicates Z: 11 17.700 1.906 0.758 0.834 0.900 0.700 CB 1.392 11 residues pruned to eliminate duplicates Z: 17 23.341 2.016 0.561 0.877 0.938 0.875 CB 1.437 17 residues pruned to eliminate duplicates Z: 15 37.542 2.195 1.219 0.949 1.000 0.929 CB 1.422 15 residues pruned to eliminate duplicates Z: 57 48.810 2.180 0.853 0.593 0.946 0.661 CB 1.561 57 residues pruned to eliminate duplicates Z: 16 27.018 2.195 0.511 0.841 0.933 0.733 CA 1.681 16 residues pruned to eliminate duplicates Z: 15 29.229 2.366 0.951 0.602 0.857 0.571 CB 1.792 15 residues pruned to eliminate duplicates Z: 28 23.577 2.045 0.735 0.501 0.926 0.667 CB 1.380 27 residues pruned to eliminate duplicates Z: 12 23.340 2.218 0.710 0.766 0.909 0.727 CB 1.613 12 residues pruned to eliminate duplicates Z: 15 31.867 2.264 0.974 0.770 0.929 0.571 CB 1.617 15 residues pruned to eliminate duplicates Z: 37 21.983 1.890 0.619 0.583 0.917 0.694 CB 1.206 37 residues pruned to eliminate duplicates Z: 17 25.072 2.089 0.543 0.821 0.938 0.625 CB 1.570 17 residues pruned to eliminate duplicates Z: 76 56.891 2.252 0.942 0.572 0.933 0.560 CB 1.501 76 residues pruned to eliminate duplicates Z: 11 12.225 1.860 0.841 0.572 0.800 0.700 CB 1.317 11 residues pruned to eliminate duplicates Z: 32 32.074 2.183 0.803 0.539 0.903 0.677 CB 1.560 32 residues pruned to eliminate duplicates Z: 16 25.195 2.114 0.466 0.838 1.000 0.800 CA 1.569 16 residues pruned to eliminate duplicates Z: 34 35.840 2.325 0.706 0.523 0.939 0.606 CB 1.637 34 residues pruned to eliminate duplicates Z: 33 39.129 2.367 0.883 0.535 0.906 0.625 CB 1.655 33 residues pruned to eliminate duplicates Z: 15 27.464 2.195 0.662 0.915 0.929 0.857 CB 1.531 15 residues pruned to eliminate duplicates Z: 58 33.812 2.031 0.703 0.566 0.912 0.719 CB 1.332 38 residues pruned to eliminate duplicates Z: 52 32.881 2.129 0.521 0.639 0.863 0.667 CB 1.447 52 residues pruned to eliminate duplicates Z: 15 13.331 1.777 0.492 0.867 0.929 0.571 CB 1.059 15 residues pruned to eliminate duplicates Z: 12 29.830 2.259 1.065 0.833 0.909 0.727 CB 1.591 12 residues pruned to eliminate duplicates Z: 27 17.672 2.172 0.663 0.419 0.808 0.500 CB 1.292 19 residues pruned to eliminate duplicates Z: 51 54.218 2.321 0.718 0.706 0.980 0.740 CB 1.626 51 residues pruned to eliminate duplicates Z: 31 43.829 2.407 0.955 0.487 0.967 0.467 CB 1.783 31 residues pruned to eliminate duplicates Z: 11 16.823 2.147 0.911 0.887 0.900 0.600 CB 1.038 11 residues pruned to eliminate duplicates Z: 12 24.945 2.224 0.915 0.912 0.818 0.818 CB 1.528 12 residues pruned to eliminate duplicates Z: 19 41.723 2.315 0.863 0.929 1.000 0.889 CB 1.595 19 residues pruned to eliminate duplicates Z: 42 26.599 2.096 0.598 0.572 0.854 0.683 CB 1.355 42 residues pruned to eliminate duplicates Z: 13 23.181 2.046 0.692 0.863 0.917 0.583 CB 1.547 13 residues pruned to eliminate duplicates Z: 35 35.059 2.160 0.548 0.857 0.941 0.706 CB 1.407 35 residues pruned to eliminate duplicates Z: 27 24.099 2.035 0.771 0.492 0.923 0.615 CB 1.433 27 residues pruned to eliminate duplicates Z: 14 22.473 2.106 0.830 0.791 0.846 0.769 CB 1.481 14 residues pruned to eliminate duplicates Z: 6 10.254 2.012 0.614 0.774 1.000 0.800 CB 1.108 6 residues pruned to eliminate duplicates Z: 19 28.989 1.966 0.783 0.904 0.944 0.833 CA 1.469 19 residues pruned to eliminate duplicates Z: 22 41.419 2.405 0.948 0.828 0.857 0.524 CB 1.695 22 residues pruned to eliminate duplicates Z: 52 42.629 2.307 0.685 0.631 0.902 0.647 CB 1.505 52 residues pruned to eliminate duplicates Z: 31 33.578 2.401 0.814 0.459 0.867 0.533 CB 1.694 31 residues pruned to eliminate duplicates Z: 15 11.697 1.944 0.912 0.473 0.643 0.500 CB 1.344 15 residues pruned to eliminate duplicates Z: 15 29.077 2.403 0.904 0.439 1.000 0.643 CA 1.809 15 residues pruned to eliminate duplicates Z: 14 31.718 2.324 0.894 0.840 0.923 0.769 CB 1.615 14 residues pruned to eliminate duplicates Z: 19 18.785 2.151 0.566 0.545 0.833 0.611 CB 1.509 19 residues pruned to eliminate duplicates Z: 7 4.703 1.667 0.091 0.414 1.000 0.500 CB 1.155 Z: 14 24.563 2.246 0.619 0.811 0.923 0.692 CA 1.549 14 residues pruned to eliminate duplicates Z: 17 24.380 1.982 0.433 0.937 1.000 0.938 CB 1.494 17 residues pruned to eliminate duplicates Z: 42 36.987 2.059 0.729 0.615 0.976 0.659 CB 1.492 42 residues pruned to eliminate duplicates Z: 11 31.490 2.536 0.526 0.881 1.000 1.000 CB 1.863 11 residues pruned to eliminate duplicates Z: 15 27.149 2.097 0.581 0.936 1.000 0.929 CB 1.524 15 residues pruned to eliminate duplicates Z: 15 27.745 2.333 0.736 0.598 0.929 0.500 CB 1.796 15 residues pruned to eliminate duplicates Z: 17 46.278 2.379 1.027 0.881 1.000 0.875 CA 1.738 17 residues pruned to eliminate duplicates Z: 18 29.049 2.055 0.490 0.923 1.000 0.882 CA 1.617 18 residues pruned to eliminate duplicates Z: 30 27.484 2.330 0.811 0.404 0.828 0.483 CB 1.617 30 residues pruned to eliminate duplicates Z: 94 46.258 2.152 0.657 0.594 0.882 0.667 CB 1.394 96 residues pruned to eliminate duplicates Z: 92 49.810 2.120 0.776 0.566 0.934 0.637 CB 1.393 92 residues pruned to eliminate duplicates Z: 29 26.816 2.354 0.850 0.378 0.821 0.464 CB 1.614 29 residues pruned to eliminate duplicates Z: 15 9.628 1.862 0.407 0.377 1.000 0.500 CB 1.120 Z: 15 14.225 2.057 0.691 0.423 0.929 0.643 CB 1.275 15 residues pruned to eliminate duplicates Z: 16 25.370 2.009 0.490 0.934 1.000 0.867 CB 1.527 16 residues pruned to eliminate duplicates Z: 15 36.565 2.504 0.760 0.840 0.929 0.786 CB 1.782 15 residues pruned to eliminate duplicates Z: 13 9.622 1.946 0.304 0.477 0.917 0.917 CB 1.222 14 residues pruned to eliminate duplicates Z: 10 13.083 1.911 0.705 0.603 0.889 0.778 CB 1.365 10 residues pruned to eliminate duplicates Z: 15 27.032 2.110 0.594 0.939 1.000 0.929 CB 1.493 15 residues pruned to eliminate duplicates Z: 14 20.053 2.131 0.811 0.388 1.000 0.692 CB 1.623 16 residues pruned to eliminate duplicates Z: 15 24.573 2.038 1.072 0.723 0.857 0.429 CB 1.483 15 residues pruned to eliminate duplicates Z: 15 33.002 2.267 0.584 0.942 1.000 1.000 CA 1.704 15 residues pruned to eliminate duplicates Z: 13 22.949 2.102 0.631 0.867 0.917 0.750 CB 1.542 13 residues pruned to eliminate duplicates Z: 14 27.267 2.049 0.993 0.783 0.923 0.769 CB 1.563 14 residues pruned to eliminate duplicates Z: 17 31.627 2.021 0.846 0.921 1.000 0.812 CB 1.492 17 residues pruned to eliminate duplicates Z: 15 22.595 2.147 0.542 0.773 0.857 0.571 CA 1.671 15 residues pruned to eliminate duplicates Z: 15 14.622 2.005 0.750 0.431 0.857 0.643 CB 1.396 Z: 15 24.811 2.293 0.667 0.827 0.929 0.643 CB 1.408 15 residues pruned to eliminate duplicates Z: 14 22.784 2.154 0.439 0.920 1.000 1.000 CB 1.436 14 residues pruned to eliminate duplicates Z: 88 57.100 2.293 0.799 0.544 0.943 0.609 CB 1.508 88 residues pruned to eliminate duplicates Z: 32 35.393 2.184 0.852 0.595 0.968 0.516 CB 1.483 32 residues pruned to eliminate duplicates Z: 21 11.441 1.875 0.456 0.419 0.800 0.500 CA 1.275 20 residues pruned to eliminate duplicates Z: 11 29.024 2.510 0.568 0.858 1.000 0.500 CB 1.717 11 residues pruned to eliminate duplicates Z: 31 31.196 2.397 0.629 0.532 0.900 0.567 CB 1.571 31 residues pruned to eliminate duplicates Z: 17 22.778 1.946 0.545 0.904 0.938 0.812 CB 1.440 17 residues pruned to eliminate duplicates Z: 6 10.484 1.877 0.793 0.809 1.000 0.600 CB 1.064 6 residues pruned to eliminate duplicates Z: 17 26.379 2.005 0.662 0.905 0.938 0.875 CB 1.503 17 residues pruned to eliminate duplicates Z: 20 16.668 2.173 0.576 0.511 0.895 0.474 CB 1.235 20 residues pruned to eliminate duplicates Z: 15 21.642 2.184 0.214 0.941 1.000 1.000 CB 1.513 15 residues pruned to eliminate duplicates Z: 17 29.335 2.013 0.728 0.946 1.000 0.875 CB 1.458 17 residues pruned to eliminate duplicates Z: 17 23.305 1.964 0.458 0.941 1.000 0.938 CB 1.412 17 residues pruned to eliminate duplicates Z: 21 25.933 2.212 0.364 0.881 0.950 0.850 CB 1.465 21 residues pruned to eliminate duplicates Z: 24 32.039 2.278 0.638 0.687 0.913 0.696 CB 1.652 24 residues pruned to eliminate duplicates Z: 41 35.464 2.179 0.584 0.588 0.925 0.725 CB 1.614 57 residues pruned to eliminate duplicates Z: 14 33.986 2.334 0.757 0.914 1.000 0.923 CB 1.625 14 residues pruned to eliminate duplicates Z: 36 35.328 2.133 0.674 0.816 0.914 0.629 CB 1.390 36 residues pruned to eliminate duplicates Z: 14 34.885 2.347 1.138 0.774 0.923 0.615 CB 1.639 14 residues pruned to eliminate duplicates Z: 50 32.701 2.258 0.787 0.439 0.837 0.571 CB 1.474 50 residues pruned to eliminate duplicates Z: 6 2.294 1.521 0.491 0.279 0.600 0.400 O 0.969 Z: 19 31.548 1.988 0.974 0.893 0.944 0.444 CB 1.440 19 residues pruned to eliminate duplicates Z: 18 33.601 1.973 0.963 0.936 1.000 0.765 CB 1.466 18 residues pruned to eliminate duplicates Z: 35 38.489 2.254 0.816 0.654 0.912 0.588 CB 1.532 35 residues pruned to eliminate duplicates Z: 6 3.875 1.819 -0.155 0.539 1.000 0.600 CB 1.085 Z: 16 13.112 1.934 0.578 0.424 0.800 0.667 CB 1.501 12 residues pruned to eliminate duplicates Z: 15 17.386 2.010 0.370 0.829 0.857 0.643 CA 1.481 15 residues pruned to eliminate duplicates Z: 14 18.015 2.222 0.707 0.314 0.923 0.538 CA 1.753 14 residues pruned to eliminate duplicates Z: 55 39.313 2.289 0.561 0.584 0.926 0.685 CB 1.492 55 residues pruned to eliminate duplicates Z: 61 42.961 2.180 0.807 0.577 0.933 0.567 CB 1.401 61 residues pruned to eliminate duplicates Z: 13 40.629 2.355 1.126 0.927 1.000 0.750 CB 1.642 13 residues pruned to eliminate duplicates Z: 17 27.930 2.004 0.610 0.947 1.000 0.875 CB 1.496 17 residues pruned to eliminate duplicates Z: 16 21.512 2.078 0.291 0.932 1.000 0.867 CA 1.446 16 residues pruned to eliminate duplicates Z: 26 34.710 2.346 0.783 0.456 0.960 0.400 CB 1.808 26 residues pruned to eliminate duplicates Z: 10 10.538 1.689 0.614 0.810 0.889 0.444 CB 1.106 9 residues pruned to eliminate duplicates Z: 21 20.734 1.969 0.643 0.515 1.000 0.700 CB 1.412 21 residues pruned to eliminate duplicates Z: 13 27.985 2.338 0.664 0.880 0.917 0.833 CA 1.642 13 residues pruned to eliminate duplicates Z: 15 33.203 2.263 0.791 0.827 1.000 0.714 CB 1.651 15 residues pruned to eliminate duplicates Z: 53 36.224 2.141 0.669 0.667 0.904 0.596 CB 1.333 53 residues pruned to eliminate duplicates Z: 11 12.455 1.752 0.875 0.581 0.800 0.500 CB 1.387 14 residues pruned to eliminate duplicates Z: 39 36.098 2.199 0.810 0.576 0.921 0.658 CB 1.485 39 residues pruned to eliminate duplicates Z: 16 26.380 1.990 0.650 0.930 1.000 1.000 CB 1.450 16 residues pruned to eliminate duplicates Z: 13 18.537 1.975 0.761 0.926 1.000 0.750 CB 1.079 13 residues pruned to eliminate duplicates Z: 73 60.870 2.351 0.716 0.680 0.958 0.708 CB 1.572 77 residues pruned to eliminate duplicates Z: 54 30.010 2.171 0.836 0.481 0.849 0.547 CB 1.241 54 residues pruned to eliminate duplicates Z: 12 11.654 1.716 0.478 0.761 0.909 0.545 CA 1.209 12 residues pruned to eliminate duplicates Z: 14 22.798 1.977 0.902 0.903 0.923 0.692 CB 1.298 14 residues pruned to eliminate duplicates Z: 17 26.177 2.063 0.643 0.795 0.938 0.625 CB 1.591 17 residues pruned to eliminate duplicates Z: 16 22.881 1.963 0.535 0.857 1.000 0.533 CB 1.445 16 residues pruned to eliminate duplicates Z: 19 13.454 2.041 0.726 0.472 0.722 0.444 CB 1.283 19 residues pruned to eliminate duplicates Z: 12 11.743 2.136 0.444 0.419 0.909 0.636 CB 1.373 12 residues pruned to eliminate duplicates Z: 12 10.516 1.711 0.563 0.777 0.818 0.455 CB 1.135 12 residues pruned to eliminate duplicates Z: 38 48.720 2.348 0.679 0.854 0.919 0.730 CB 1.632 38 residues pruned to eliminate duplicates Z: 13 33.501 2.302 0.786 0.853 1.000 0.833 CB 1.739 13 residues pruned to eliminate duplicates Z: 15 48.700 2.415 1.289 0.939 1.000 0.786 CB 1.637 15 residues pruned to eliminate duplicates Z: 13 18.715 2.015 0.268 0.935 1.000 0.917 CB 1.474 13 residues pruned to eliminate duplicates Z: 20 41.366 2.411 0.696 0.872 1.000 0.842 CB 1.692 20 residues pruned to eliminate duplicates Z: 15 25.562 1.995 0.719 0.937 1.000 0.714 CB 1.387 15 residues pruned to eliminate duplicates Z: 17 20.478 1.937 0.928 0.515 0.938 0.688 CB 1.440 14 residues pruned to eliminate duplicates Z: 18 30.550 2.040 0.653 0.919 1.000 0.882 CA 1.548 18 residues pruned to eliminate duplicates Z: 18 24.953 1.907 0.616 0.907 1.000 0.647 CB 1.397 17 residues pruned to eliminate duplicates Z: 12 28.518 2.231 0.950 0.826 0.909 0.545 CB 1.640 12 residues pruned to eliminate duplicates Z: 22 24.820 2.193 0.829 0.514 0.857 0.524 CB 1.554 22 residues pruned to eliminate duplicates Z: 72 49.912 2.235 0.792 0.589 0.901 0.549 CB 1.507 72 residues pruned to eliminate duplicates Z: 13 21.601 2.253 0.775 0.544 0.917 0.583 CB 1.629 13 residues pruned to eliminate duplicates Z: 7 11.229 1.940 0.373 0.878 0.833 0.833 CA 1.499 7 residues pruned to eliminate duplicates Z: 13 12.238 2.035 0.385 0.865 0.917 0.750 CB 1.002 13 residues pruned to eliminate duplicates Z: 16 15.652 1.801 0.371 0.916 1.000 0.867 CB 1.156 Z: 51 51.818 2.257 0.875 0.657 0.960 0.640 CB 1.559 51 residues pruned to eliminate duplicates Z: 9 8.934 1.770 0.370 0.525 1.000 0.500 CB 1.271 9 residues pruned to eliminate duplicates Z: 17 25.706 2.015 0.638 0.874 0.938 0.812 CB 1.511 17 residues pruned to eliminate duplicates Z: 24 30.143 2.301 0.695 0.535 0.913 0.652 CB 1.705 24 residues pruned to eliminate duplicates Z: 7 8.805 2.111 0.418 0.599 0.833 0.667 CB 1.311 7 residues pruned to eliminate duplicates Z: 37 39.981 2.261 0.872 0.577 0.833 0.556 CB 1.754 143 residues pruned to eliminate duplicates Z: 14 20.569 2.247 0.574 0.457 1.000 0.692 CA 1.686 14 residues pruned to eliminate duplicates Z: 6 9.670 1.951 0.043 0.778 1.000 0.800 CB 1.663 6 residues pruned to eliminate duplicates Z: 13 24.284 2.189 0.843 0.906 0.833 0.750 CB 1.483 Z: 13 18.531 1.965 0.874 0.877 0.917 0.750 CB 1.151 13 residues pruned to eliminate duplicates Z: 6 4.391 2.112 0.055 0.292 0.800 0.800 CB 1.392 6 residues pruned to eliminate duplicates Z: 11 7.976 1.919 0.790 0.431 0.700 0.600 CB 1.126 Z: 35 36.990 2.173 0.695 0.847 0.912 0.765 CB 1.402 35 residues pruned to eliminate duplicates Z: 55 36.789 2.170 0.531 0.622 0.907 0.667 CB 1.480 55 residues pruned to eliminate duplicates Z: 22 30.763 2.329 0.748 0.475 1.000 0.476 CA 1.690 22 residues pruned to eliminate duplicates Z: 13 21.119 2.128 0.786 0.497 1.000 0.833 CB 1.610 14 residues pruned to eliminate duplicates Z: 35 38.484 2.338 0.659 0.587 0.941 0.706 CB 1.664 35 residues pruned to eliminate duplicates Z: 86 41.496 2.109 0.586 0.617 0.882 0.659 CB 1.366 86 residues pruned to eliminate duplicates Z: 7 8.083 1.610 0.600 0.817 0.833 0.500 CA 1.167 Z: 30 44.670 2.433 0.959 0.565 0.966 0.724 CB 1.693 30 residues pruned to eliminate duplicates Z: 15 19.013 2.060 0.657 0.504 1.000 0.714 CA 1.482 15 residues pruned to eliminate duplicates Z: 8 23.579 2.270 1.074 0.676 1.000 0.857 CB 1.609 8 residues pruned to eliminate duplicates Z: 43 34.331 2.102 0.799 0.524 0.929 0.643 CB 1.473 Z: 148 67.331 2.183 0.745 0.576 0.898 0.599 CB 1.508 148 residues pruned to eliminate duplicates Z: 7 4.657 1.910 0.351 0.478 0.667 0.333 CB 1.130 7 residues pruned to eliminate duplicates Z: 14 31.101 2.321 0.890 0.829 0.923 0.538 CB 1.603 14 residues pruned to eliminate duplicates Z: 10 6.665 1.977 0.583 0.230 0.778 0.444 CB 1.251 10 residues pruned to eliminate duplicates Z: 10 6.376 1.700 0.455 0.304 0.889 0.333 CB 1.203 10 residues pruned to eliminate duplicates Z: 16 31.519 2.218 0.989 0.799 0.867 0.467 CB 1.637 12 residues pruned to eliminate duplicates Z: 20 15.539 2.160 0.616 0.510 0.842 0.526 CB 1.201 Z: 51 50.487 2.270 0.805 0.633 0.940 0.560 CB 1.636 51 residues pruned to eliminate duplicates Z: 13 21.030 2.144 0.754 0.532 1.000 0.833 CB 1.564 13 residues pruned to eliminate duplicates Z: 37 25.611 2.027 0.724 0.483 0.889 0.639 CB 1.397 27 residues pruned to eliminate duplicates Z: 79 56.406 2.324 0.678 0.638 0.910 0.654 CB 1.582 79 residues pruned to eliminate duplicates Z: 17 27.595 1.977 0.712 0.937 1.000 0.750 CB 1.418 17 residues pruned to eliminate duplicates Z: 32 29.863 2.148 0.698 0.612 0.871 0.581 CB 1.518 32 residues pruned to eliminate duplicates Z: 75 57.566 2.275 0.939 0.584 0.919 0.500 CB 1.522 77 residues pruned to eliminate duplicates Z: 17 25.483 1.983 0.666 0.933 0.938 0.812 CB 1.435 17 residues pruned to eliminate duplicates Z: 13 11.719 2.025 0.574 0.468 0.917 0.667 CB 1.197 11 residues pruned to eliminate duplicates Z: 29 43.111 2.307 0.922 0.764 0.929 0.714 CB 1.566 29 residues pruned to eliminate duplicates Z: 16 29.778 2.025 0.853 0.897 1.000 0.733 CB 1.467 16 residues pruned to eliminate duplicates Z: 18 11.025 1.928 0.879 0.435 0.765 0.588 CB 1.033 18 residues pruned to eliminate duplicates Z: 35 32.080 2.043 0.798 0.677 0.912 0.676 CB 1.396 35 residues pruned to eliminate duplicates Z: 13 37.528 2.307 0.984 0.857 1.000 0.750 CB 1.744 13 residues pruned to eliminate duplicates Z: 16 22.957 2.052 0.367 0.942 1.000 0.867 CB 1.465 16 residues pruned to eliminate duplicates Z: 29 31.840 2.314 0.805 0.522 0.786 0.536 CB 1.795 29 residues pruned to eliminate duplicates Z: 39 31.151 2.116 0.715 0.620 0.895 0.711 CB 1.389 39 residues pruned to eliminate duplicates Z: 13 37.096 2.412 0.767 0.925 1.000 1.000 CB 1.763 13 residues pruned to eliminate duplicates Z: 46 45.473 2.274 0.968 0.576 0.933 0.644 CB 1.508 46 residues pruned to eliminate duplicates Z: 18 11.109 2.068 0.697 0.411 0.941 0.529 CB 0.895 18 residues pruned to eliminate duplicates Z: 47 33.342 2.260 0.775 0.474 0.826 0.500 CB 1.523 153 residues pruned to eliminate duplicates Z: 16 13.382 2.079 0.442 0.490 0.933 0.600 CB 1.248 Z: 7 2.211 1.232 0.083 0.480 1.000 0.500 N 0.690 Z: 38 48.842 2.343 0.583 0.872 0.946 0.676 CB 1.668 38 residues pruned to eliminate duplicates Z: 59 43.184 2.158 0.824 0.595 0.948 0.672 CB 1.387 Z: 19 34.726 2.413 1.050 0.470 0.944 0.667 CA 1.807 19 residues pruned to eliminate duplicates Z: 20 40.689 2.264 0.823 0.922 1.000 0.684 CB 1.591 20 residues pruned to eliminate duplicates Z: 32 34.391 2.297 0.664 0.518 0.968 0.710 CB 1.641 32 residues pruned to eliminate duplicates Z: 18 22.189 1.902 0.675 0.865 0.941 0.824 CB 1.315 18 residues pruned to eliminate duplicates Z: 8 13.285 2.014 0.986 0.567 0.714 0.714 CA 1.647 8 residues pruned to eliminate duplicates Z: 17 25.670 1.994 0.499 0.936 1.000 0.938 CB 1.496 17 residues pruned to eliminate duplicates Z: 29 26.363 2.035 0.862 0.516 0.929 0.714 CB 1.394 27 residues pruned to eliminate duplicates Z: 8 12.494 1.796 0.564 0.873 1.000 0.571 CB 1.224 8 residues pruned to eliminate duplicates Z: 20 19.470 2.084 0.418 0.538 0.947 0.789 CB 1.538 20 residues pruned to eliminate duplicates Z: 26 18.855 2.015 0.679 0.484 0.880 0.560 CB 1.286 26 residues pruned to eliminate duplicates Z: 17 18.367 1.911 0.395 0.887 1.000 0.875 CB 1.242 17 residues pruned to eliminate duplicates Z: 103 62.834 2.216 0.881 0.549 0.951 0.588 CB 1.496 61 residues pruned to eliminate duplicates Z: 55 34.565 2.105 0.686 0.632 0.870 0.648 CB 1.345 55 residues pruned to eliminate duplicates Z: 7 4.570 1.824 0.426 0.569 0.833 0.500 N 0.805 Z: 13 21.034 2.073 0.683 0.892 0.833 0.583 CB 1.500 13 residues pruned to eliminate duplicates Z: 9 8.047 1.886 0.561 0.402 0.750 0.500 N 1.429 9 residues pruned to eliminate duplicates Z: 19 35.339 2.268 0.725 0.915 0.944 0.778 CB 1.593 19 residues pruned to eliminate duplicates Z: 24 31.511 2.240 0.673 0.587 0.913 0.652 CB 1.766 24 residues pruned to eliminate duplicates Z: 7 2.609 1.513 -0.008 0.378 0.833 0.500 CB 0.969 Z: 75 50.009 2.218 0.869 0.578 0.878 0.568 CB 1.481 75 residues pruned to eliminate duplicates Z: 14 21.316 1.997 0.736 0.819 0.923 0.769 CB 1.400 14 residues pruned to eliminate duplicates Z: 10 12.707 1.830 0.649 0.795 0.889 0.444 CB 1.220 10 residues pruned to eliminate duplicates Z: 11 18.154 1.856 0.982 0.675 0.900 0.800 CB 1.476 11 residues pruned to eliminate duplicates Z: 13 30.234 2.414 0.766 0.793 1.000 0.667 CA 1.583 13 residues pruned to eliminate duplicates Z: 12 21.690 2.128 0.638 0.709 0.909 0.727 CB 1.708 12 residues pruned to eliminate duplicates Z: 20 23.397 1.915 0.957 0.550 1.000 0.684 CB 1.365 17 residues pruned to eliminate duplicates Z: 8 11.186 1.763 0.511 0.839 1.000 0.714 CB 1.185 8 residues pruned to eliminate duplicates Z: 14 37.164 2.274 1.118 0.924 1.000 0.923 CB 1.503 14 residues pruned to eliminate duplicates Z: 8 8.088 1.675 1.315 0.487 0.857 0.714 N 0.932 Z: 10 17.150 1.960 0.571 0.907 1.000 0.778 CA 1.319 10 residues pruned to eliminate duplicates Z: 18 31.215 2.007 0.853 0.911 1.000 0.588 CB 1.443 18 residues pruned to eliminate duplicates Z: 7 7.716 1.871 0.467 0.582 1.000 0.667 CB 1.060 7 residues pruned to eliminate duplicates Z: 84 53.673 2.248 0.673 0.639 0.916 0.699 CB 1.503 84 residues pruned to eliminate duplicates Z: 15 28.660 2.203 0.594 0.934 1.000 0.714 CB 1.521 15 residues pruned to eliminate duplicates Z: 81 55.827 2.226 0.970 0.579 0.887 0.625 CB 1.487 81 residues pruned to eliminate duplicates Z: 18 19.529 1.991 0.894 0.512 0.941 0.588 CB 1.319 18 residues pruned to eliminate duplicates Z: 10 13.111 2.222 0.479 0.587 0.778 0.667 CB 1.573 10 residues pruned to eliminate duplicates Z: 35 35.214 2.126 0.558 0.856 0.971 0.765 CB 1.386 35 residues pruned to eliminate duplicates Z: 58 47.573 2.212 0.786 0.577 0.912 0.649 CB 1.624 58 residues pruned to eliminate duplicates Z: 18 22.082 1.953 0.677 0.780 0.882 0.529 CB 1.448 18 residues pruned to eliminate duplicates Z: 25 25.334 2.064 0.615 0.669 0.917 0.750 CB 1.448 25 residues pruned to eliminate duplicates Z: 81 54.028 2.220 0.858 0.578 0.913 0.600 CB 1.488 81 residues pruned to eliminate duplicates Z: 33 19.006 2.060 0.715 0.385 0.875 0.469 CB 1.228 33 residues pruned to eliminate duplicates Z: 9 9.647 2.015 0.810 0.350 0.750 0.125 CA 1.467 9 residues pruned to eliminate duplicates Z: 8 19.611 2.181 0.845 0.718 0.857 0.857 CB 1.765 8 residues pruned to eliminate duplicates Z: 53 38.861 2.163 0.630 0.681 0.885 0.673 CB 1.462 53 residues pruned to eliminate duplicates Z: 106 55.330 2.120 0.785 0.556 0.924 0.571 CB 1.464 107 residues pruned to eliminate duplicates Z: 12 5.340 1.748 0.484 0.355 0.909 0.364 CB 0.798 Z: 9 16.095 1.759 0.830 0.731 1.000 0.875 CA 1.437 10 residues pruned to eliminate duplicates Z: 7 4.987 1.705 0.215 0.567 1.000 0.667 CB 0.921 Z: 12 30.755 2.556 0.700 0.781 1.000 0.727 CA 1.666 12 residues pruned to eliminate duplicates Z: 13 17.160 2.131 0.749 0.427 0.917 0.750 CB 1.564 13 residues pruned to eliminate duplicates Z: 34 37.843 2.230 0.737 0.626 0.939 0.667 CB 1.607 34 residues pruned to eliminate duplicates Z: 9 13.367 2.053 0.741 0.483 0.875 0.375 CA 1.537 9 residues pruned to eliminate duplicates Z: 35 34.333 2.142 0.656 0.849 0.912 0.735 CB 1.350 35 residues pruned to eliminate duplicates Z: 36 36.185 2.125 0.678 0.854 0.914 0.743 CB 1.386 36 residues pruned to eliminate duplicates Z: 15 24.669 2.181 0.821 0.817 0.786 0.500 CB 1.603 15 residues pruned to eliminate duplicates Z: 15 15.019 1.879 0.240 0.934 1.000 1.000 CB 1.201 15 residues pruned to eliminate duplicates Z: 12 18.125 2.056 0.496 0.710 0.909 0.727 CB 1.615 12 residues pruned to eliminate duplicates Z: 35 33.064 2.154 0.424 0.853 0.971 0.765 CB 1.408 35 residues pruned to eliminate duplicates Z: 6 5.619 2.132 -0.179 0.504 1.000 0.800 CB 1.429 6 residues pruned to eliminate duplicates Z: 7 3.200 1.699 0.073 0.689 0.667 0.333 CB 0.904 7 residues pruned to eliminate duplicates Z: 31 32.870 2.153 0.768 0.676 0.933 0.733 CB 1.437 31 residues pruned to eliminate duplicates Z: 39 29.545 2.078 0.799 0.639 0.868 0.658 CB 1.296 39 residues pruned to eliminate duplicates Z: 9 3.977 1.608 0.025 0.426 0.875 0.500 CB 1.052 Z: 17 19.369 2.129 0.676 0.438 0.938 0.688 CA 1.543 17 residues pruned to eliminate duplicates Z: 12 10.653 1.663 0.422 0.811 1.000 0.636 CA 1.036 11 residues pruned to eliminate duplicates Z: 21 43.771 2.416 0.762 0.896 0.900 0.850 CA 1.829 21 residues pruned to eliminate duplicates Z: 13 9.692 1.911 0.453 0.545 0.833 0.667 CB 1.157 13 residues pruned to eliminate duplicates Z: 19 28.247 1.930 0.781 0.916 1.000 0.833 CB 1.368 19 residues pruned to eliminate duplicates Z: 7 9.043 1.866 0.649 0.832 0.667 0.667 CA 1.352 8 residues pruned to eliminate duplicates Z: 7 3.034 1.738 -0.186 0.471 0.833 0.333 N 1.082 Z: 16 27.918 2.145 0.711 0.848 1.000 0.800 CB 1.457 16 residues pruned to eliminate duplicates Z: 22 21.613 2.067 0.722 0.626 0.857 0.333 CB 1.374 22 residues pruned to eliminate duplicates Z: 7 9.693 1.728 0.531 0.897 1.000 1.000 CB 1.071 7 residues pruned to eliminate duplicates Z: 7 3.793 1.498 -0.048 0.819 1.000 1.000 CB 0.823 Z: 30 36.705 2.215 0.735 0.626 0.966 0.552 CB 1.632 30 residues pruned to eliminate duplicates Z: 114 65.542 2.221 0.940 0.551 0.929 0.628 CB 1.464 119 residues pruned to eliminate duplicates Z: 18 24.350 2.060 1.150 0.533 0.882 0.647 CB 1.462 18 residues pruned to eliminate duplicates Z: 36 27.297 2.150 0.986 0.506 0.743 0.400 CB 1.445 36 residues pruned to eliminate duplicates Z: 13 27.798 2.346 0.723 0.827 0.917 0.667 CB 1.632 13 residues pruned to eliminate duplicates Z: 26 34.572 2.307 0.776 0.591 0.960 0.760 CB 1.611 26 residues pruned to eliminate duplicates Z: 27 31.253 2.272 0.576 0.688 0.962 0.692 CB 1.499 27 residues pruned to eliminate duplicates Z: 8 5.063 1.744 0.469 0.442 0.714 0.286 CA 1.110 Z: 16 14.428 1.845 0.234 0.895 1.000 0.733 CB 1.172 16 residues pruned to eliminate duplicates Z: 15 33.275 2.176 0.912 0.843 1.000 0.714 CB 1.593 15 residues pruned to eliminate duplicates Z: 14 25.933 2.055 1.070 0.836 0.846 0.615 CB 1.496 14 residues pruned to eliminate duplicates Z: 36 30.740 2.262 0.672 0.517 0.914 0.657 CB 1.478 36 residues pruned to eliminate duplicates Z: 6 4.429 1.387 0.366 0.680 1.000 0.600 CB 0.885 Z: 17 10.546 1.746 -0.014 0.897 1.000 0.875 CB 1.097 17 residues pruned to eliminate duplicates Z: 19 28.834 1.945 0.781 0.905 1.000 0.833 CB 1.396 19 residues pruned to eliminate duplicates Z: 28 40.974 2.384 0.751 0.637 0.963 0.667 CB 1.726 28 residues pruned to eliminate duplicates Z: 32 40.942 2.203 1.034 0.531 0.935 0.581 CB 1.701 32 residues pruned to eliminate duplicates Z: 17 31.588 2.065 0.725 0.913 1.000 0.625 CA 1.569 17 residues pruned to eliminate duplicates Z: 10 13.785 1.898 0.606 0.704 0.889 0.778 CA 1.409 10 residues pruned to eliminate duplicates Z: 66 39.327 2.033 0.713 0.591 0.908 0.585 CB 1.414 66 residues pruned to eliminate duplicates Z: 12 13.606 2.062 0.577 0.412 0.909 0.364 CB 1.522 12 residues pruned to eliminate duplicates 6 1.698 1.625 -0.484 0.516 0.800 0.400 CB 1.113 ? Z: 37 29.656 2.090 0.652 0.626 0.889 0.667 CB 1.431 37 residues pruned to eliminate duplicates Z: 57 37.564 2.052 0.797 0.621 0.911 0.679 CB 1.334 57 residues pruned to eliminate duplicates Z: 10 5.663 1.820 -0.077 0.599 1.000 0.889 CB 1.022 Z: 9 7.096 1.852 0.436 0.487 0.875 0.500 CB 1.092 Z: 11 11.567 1.798 0.359 0.783 1.000 0.700 CA 1.167 11 residues pruned to eliminate duplicates Z: 9 5.041 1.766 0.483 0.361 0.750 0.625 CB 1.054 9 residues pruned to eliminate duplicates Z: 6 8.033 1.960 0.344 0.663 0.800 0.400 CA 1.466 6 residues pruned to eliminate duplicates Z: 20 36.815 2.231 0.686 0.902 1.000 0.842 CB 1.602 20 residues pruned to eliminate duplicates Z: 23 29.103 2.325 0.606 0.638 0.864 0.727 CB 1.691 23 residues pruned to eliminate duplicates Z: 15 11.860 1.861 0.011 0.925 1.000 1.000 CB 1.182 15 residues pruned to eliminate duplicates Z: 15 20.819 2.104 1.100 0.629 0.857 0.786 CB 1.301 15 residues pruned to eliminate duplicates Z: 13 26.492 2.114 0.871 0.918 0.917 0.750 CB 1.487 13 residues pruned to eliminate duplicates Z: 35 22.842 1.922 0.634 0.578 0.912 0.735 CB 1.269 35 residues pruned to eliminate duplicates Z: 12 14.803 1.894 0.842 0.488 0.909 0.545 CA 1.424 Z: 13 29.178 2.332 0.626 0.830 1.000 0.750 CB 1.670 13 residues pruned to eliminate duplicates Z: 12 26.163 2.475 0.400 0.837 1.000 0.818 CA 1.702 12 residues pruned to eliminate duplicates Z: 20 48.812 2.410 1.040 0.925 0.895 0.684 CA 1.786 20 residues pruned to eliminate duplicates Z: 12 19.441 2.250 0.446 0.766 0.818 0.727 CB 1.740 12 residues pruned to eliminate duplicates Z: 16 34.255 2.161 0.906 0.851 1.000 0.600 CB 1.589 16 residues pruned to eliminate duplicates Z: 17 23.436 1.965 0.563 0.887 0.938 0.750 CB 1.467 17 residues pruned to eliminate duplicates Z: 39 38.126 2.169 0.819 0.678 0.895 0.684 CB 1.487 46 residues pruned to eliminate duplicates Z: 15 29.987 2.153 0.835 0.838 1.000 0.429 CB 1.516 15 residues pruned to eliminate duplicates Z: 8 8.685 1.771 0.914 0.437 1.000 0.571 CB 1.034 Z: 33 39.442 2.331 0.920 0.507 0.875 0.625 CB 1.768 33 residues pruned to eliminate duplicates Z: 28 25.858 2.246 0.579 0.524 0.852 0.704 CB 1.609 28 residues pruned to eliminate duplicates Z: 38 26.294 2.084 0.584 0.605 0.919 0.703 CB 1.290 38 residues pruned to eliminate duplicates Z: 13 13.870 1.976 0.589 0.898 0.917 0.750 CB 0.996 13 residues pruned to eliminate duplicates Z: 6 2.423 1.623 -0.049 0.360 0.800 0.600 N 1.021 Z: 8 10.336 1.668 0.477 0.888 1.000 0.857 CA 1.142 8 residues pruned to eliminate duplicates Z: 17 28.293 2.026 0.668 0.934 1.000 0.938 CB 1.459 17 residues pruned to eliminate duplicates Z: 18 26.129 2.029 0.509 0.934 1.000 0.941 CA 1.443 18 residues pruned to eliminate duplicates Z: 11 5.088 1.827 0.689 0.138 0.600 0.300 CA 1.361 11 residues pruned to eliminate duplicates Z: 8 6.064 1.821 0.973 0.618 0.857 0.714 CB 0.665 Z: 7 14.997 1.903 0.837 0.866 1.000 0.667 CA 1.282 7 residues pruned to eliminate duplicates Z: 28 17.933 1.784 0.548 0.518 0.963 0.667 CB 1.275 28 residues pruned to eliminate duplicates Z: 19 9.665 1.954 0.388 0.483 0.833 0.778 CB 1.025 28 residues pruned to eliminate duplicates Z: 6 3.776 1.908 -0.098 0.339 1.000 0.400 CB 1.170 Z: 31 27.142 2.228 0.623 0.460 0.900 0.433 CB 1.586 31 residues pruned to eliminate duplicates Z: 15 8.526 1.861 0.410 0.231 0.857 0.643 CB 1.386 14 residues pruned to eliminate duplicates Z: 17 15.978 2.094 0.495 0.470 0.875 0.562 CB 1.503 17 residues pruned to eliminate duplicates Z: 29 20.185 1.881 0.856 0.645 0.821 0.429 CB 1.161 29 residues pruned to eliminate duplicates Z: 8 4.769 1.403 0.523 0.407 1.000 0.571 CB 0.930 3 residues pruned to eliminate duplicates Z: 7 5.993 1.865 -0.209 0.685 1.000 1.000 CB 1.400 3 residues pruned to eliminate duplicates Z: 56 39.134 2.194 0.726 0.572 0.891 0.582 CB 1.458 56 residues pruned to eliminate duplicates Z: 14 20.089 2.225 0.518 0.798 0.923 0.615 CB 1.377 14 residues pruned to eliminate duplicates Z: 24 27.714 2.043 0.861 0.602 0.957 0.652 CB 1.442 24 residues pruned to eliminate duplicates Z: 11 16.161 1.949 0.890 0.471 1.000 0.700 CB 1.429 11 residues pruned to eliminate duplicates Z: 9 9.590 2.193 0.469 0.329 0.875 0.375 CB 1.451 9 residues pruned to eliminate duplicates Z: 20 21.972 1.986 0.577 0.587 1.000 0.737 CB 1.481 24 residues pruned to eliminate duplicates Z: 18 24.630 2.329 0.613 0.526 0.882 0.706 CA 1.757 18 residues pruned to eliminate duplicates Z: 15 37.611 2.444 0.766 0.872 1.000 0.857 CB 1.698 15 residues pruned to eliminate duplicates Z: 65 43.558 2.201 0.801 0.526 0.922 0.547 CB 1.452 65 residues pruned to eliminate duplicates Z: 8 4.196 1.579 0.460 0.329 0.714 0.429 CB 1.162 Z: 15 13.192 1.821 0.793 0.515 0.857 0.571 CB 1.241 10 residues pruned to eliminate duplicates Z: 14 16.776 1.891 0.920 0.523 0.923 0.692 CB 1.357 14 residues pruned to eliminate duplicates Z: 8 12.704 2.061 0.376 0.636 1.000 0.714 CB 1.490 8 residues pruned to eliminate duplicates Z: 17 21.168 1.993 0.278 0.945 0.938 0.938 CB 1.533 17 residues pruned to eliminate duplicates Z: 13 9.586 2.034 0.729 0.377 0.750 0.500 CB 1.197 13 residues pruned to eliminate duplicates Z: 31 30.086 2.320 0.717 0.469 0.867 0.667 CB 1.642 31 residues pruned to eliminate duplicates Z: 11 28.492 2.267 0.986 0.840 1.000 0.600 CB 1.493 11 residues pruned to eliminate duplicates Z: 28 31.161 2.222 0.681 0.543 0.926 0.741 CA 1.662 28 residues pruned to eliminate duplicates Z: 21 42.860 2.388 0.763 0.856 0.950 0.550 CB 1.767 21 residues pruned to eliminate duplicates Z: 6 3.408 1.633 0.818 0.465 0.600 0.400 N 0.886 Z: 11 23.803 2.145 1.090 0.919 0.900 0.800 CB 1.315 11 residues pruned to eliminate duplicates Z: 17 28.076 2.008 0.679 0.901 1.000 0.812 CB 1.487 17 residues pruned to eliminate duplicates Z: 18 18.475 2.069 0.576 0.441 0.941 0.824 CB 1.552 18 residues pruned to eliminate duplicates Z: 7 2.178 1.381 0.806 0.247 0.500 0.500 CA 0.954 Z: 9 3.009 1.420 0.290 0.483 0.625 0.375 CB 0.946 Z: 28 29.985 2.337 0.673 0.548 0.815 0.444 CB 1.728 28 residues pruned to eliminate duplicates Z: 7 2.181 1.405 0.357 0.531 0.833 0.500 CB 0.544 Z: 69 46.613 2.190 0.891 0.530 0.897 0.603 CB 1.477 69 residues pruned to eliminate duplicates Z: 12 12.758 1.877 0.430 0.666 0.909 0.636 CB 1.352 12 residues pruned to eliminate duplicates Z: 96 52.182 2.136 0.790 0.559 0.905 0.568 CB 1.461 96 residues pruned to eliminate duplicates Z: 19 35.286 2.319 0.910 0.571 1.000 0.611 CB 1.753 19 residues pruned to eliminate duplicates Z: 40 29.506 2.045 0.682 0.582 0.872 0.615 CB 1.457 40 residues pruned to eliminate duplicates Z: 11 10.261 2.039 0.400 0.625 0.900 0.700 CB 1.122 11 residues pruned to eliminate duplicates Z: 11 6.090 1.585 0.431 0.477 0.700 0.500 N 1.241 11 residues pruned to eliminate duplicates Z: 13 17.040 2.014 0.810 0.557 0.833 0.667 CB 1.532 13 residues pruned to eliminate duplicates Z: 35 36.743 2.125 0.705 0.814 0.971 0.676 CB 1.364 35 residues pruned to eliminate duplicates Z: 15 22.365 2.053 0.284 0.946 1.000 0.929 CB 1.567 15 residues pruned to eliminate duplicates Z: 18 33.329 2.193 0.828 0.752 1.000 0.647 CA 1.611 18 residues pruned to eliminate duplicates Z: 7 8.906 1.647 0.428 0.708 1.000 0.833 C 1.280 7 residues pruned to eliminate duplicates Z: 9 17.870 1.983 1.154 0.800 1.000 1.000 CB 1.138 9 residues pruned to eliminate duplicates Z: 26 34.936 2.313 0.633 0.586 0.960 0.680 CA 1.774 26 residues pruned to eliminate duplicates Z: 13 16.029 1.960 0.517 0.863 1.000 0.583 CB 1.142 13 residues pruned to eliminate duplicates Z: 7 2.703 1.643 -0.243 0.729 1.000 0.667 CB 0.722 Z: 11 12.036 1.864 0.347 0.793 1.000 0.900 CA 1.173 11 residues pruned to eliminate duplicates Z: 30 29.206 2.103 0.792 0.607 0.862 0.483 CB 1.508 30 residues pruned to eliminate duplicates Z: 17 25.305 1.996 0.444 0.928 1.000 0.875 CB 1.537 17 residues pruned to eliminate duplicates Z: 54 41.987 2.100 0.766 0.581 0.943 0.566 CB 1.524 54 residues pruned to eliminate duplicates Z: 15 27.655 2.057 0.580 0.944 1.000 0.786 CB 1.575 15 residues pruned to eliminate duplicates Z: 9 12.542 1.998 0.316 0.806 1.000 0.875 CB 1.291 10 residues pruned to eliminate duplicates Z: 19 21.211 2.112 0.537 0.520 1.000 0.778 CB 1.510 19 residues pruned to eliminate duplicates Z: 89 45.402 2.152 0.699 0.544 0.886 0.625 CB 1.431 89 residues pruned to eliminate duplicates Z: 11 13.396 2.046 0.814 0.771 0.900 0.700 CB 0.998 Z: 20 22.140 2.068 0.676 0.707 0.947 0.632 CB 1.281 20 residues pruned to eliminate duplicates Z: 64 52.881 2.246 0.889 0.561 0.937 0.635 CB 1.580 64 residues pruned to eliminate duplicates Z: 20 20.285 2.021 0.583 0.489 1.000 0.632 CB 1.472 20 residues pruned to eliminate duplicates Z: 8 7.888 1.813 0.274 0.596 1.000 0.429 CB 1.178 8 residues pruned to eliminate duplicates Z: 37 24.332 2.121 0.531 0.540 0.917 0.611 CB 1.310 37 residues pruned to eliminate duplicates Z: 8 4.897 1.610 0.091 0.419 1.000 0.714 CB 1.147 7 residues pruned to eliminate duplicates Z: 15 24.985 2.050 0.631 0.918 1.000 0.643 CB 1.409 15 residues pruned to eliminate duplicates Z: 19 20.813 2.004 0.732 0.503 0.889 0.667 CB 1.585 19 residues pruned to eliminate duplicates Z: 37 40.069 2.254 0.735 0.673 0.944 0.667 CB 1.541 35 residues pruned to eliminate duplicates Z: 21 32.706 2.219 0.590 0.896 1.000 0.800 CB 1.486 21 residues pruned to eliminate duplicates Z: 27 19.048 2.033 0.674 0.510 0.846 0.654 CB 1.285 27 residues pruned to eliminate duplicates Z: 21 16.634 2.073 0.759 0.613 0.750 0.550 CB 1.222 21 residues pruned to eliminate duplicates Z: 17 28.321 2.420 0.763 0.560 0.875 0.750 CA 1.789 17 residues pruned to eliminate duplicates Z: 12 25.225 2.411 0.836 0.433 1.000 0.545 CB 1.842 12 residues pruned to eliminate duplicates Z: 31 35.249 2.370 0.679 0.516 0.867 0.700 CA 1.836 31 residues pruned to eliminate duplicates Z: 42 25.300 1.990 0.739 0.511 0.854 0.512 CB 1.323 42 residues pruned to eliminate duplicates Z: 33 23.961 2.233 0.473 0.525 0.812 0.750 CB 1.546 33 residues pruned to eliminate duplicates Z: 15 17.959 1.855 0.555 0.905 1.000 0.714 CB 1.184 16 residues pruned to eliminate duplicates Z: 24 33.872 2.360 0.740 0.566 0.957 0.652 CB 1.686 24 residues pruned to eliminate duplicates Z: 20 20.877 1.918 0.834 0.542 0.947 0.684 CB 1.379 20 residues pruned to eliminate duplicates Z: 13 14.771 1.919 0.470 0.902 1.000 0.833 CB 1.078 13 residues pruned to eliminate duplicates Z: 10 25.725 2.156 1.240 0.555 1.000 0.667 CA 1.683 10 residues pruned to eliminate duplicates Z: 9 2.484 1.560 -0.025 0.322 0.875 0.750 CB 0.803 Z: 94 57.003 2.259 0.821 0.553 0.925 0.548 CB 1.476 210 residues pruned to eliminate duplicates Z: 75 52.162 2.223 0.760 0.582 0.946 0.581 CB 1.514 75 residues pruned to eliminate duplicates Z: 19 38.614 2.261 0.906 0.930 0.944 0.833 CB 1.564 19 residues pruned to eliminate duplicates Z: 17 21.030 1.960 0.266 0.919 1.000 0.938 CB 1.494 17 residues pruned to eliminate duplicates Z: 10 4.511 1.490 0.543 0.523 0.667 0.444 CB 0.959 10 residues pruned to eliminate duplicates Z: 15 11.284 1.817 -0.012 0.921 1.000 0.929 CB 1.181 15 residues pruned to eliminate duplicates Z: 8 5.363 1.599 0.468 0.407 0.857 0.429 CA 1.110 8 residues pruned to eliminate duplicates Z: 34 36.521 2.152 0.701 0.863 0.909 0.818 CB 1.402 34 residues pruned to eliminate duplicates Z: 26 23.549 1.921 0.834 0.663 0.800 0.640 CB 1.437 26 residues pruned to eliminate duplicates Z: 9 6.482 1.951 0.228 0.308 0.875 0.250 CB 1.353 9 residues pruned to eliminate duplicates Z: 16 28.205 2.149 0.827 0.851 0.933 0.600 CB 1.470 16 residues pruned to eliminate duplicates 8 1.369 1.332 -0.204 0.455 0.714 0.571 O 0.716 ? Z: 15 13.441 1.838 0.207 0.912 1.000 0.929 CB 1.147 15 residues pruned to eliminate duplicates Z: 7 13.994 2.024 1.028 0.604 0.833 0.500 CA 1.513 7 residues pruned to eliminate duplicates Z: 17 31.116 1.979 0.889 0.935 1.000 0.750 CB 1.450 17 residues pruned to eliminate duplicates Z: 38 44.404 2.328 0.977 0.537 0.973 0.622 CB 1.572 Z: 33 26.321 2.139 0.507 0.588 0.906 0.562 CB 1.463 33 residues pruned to eliminate duplicates Z: 9 3.100 1.805 0.617 0.370 0.875 0.625 CB 0.493 Z: 14 14.365 1.940 0.553 0.514 0.923 0.769 CB 1.413 13 residues pruned to eliminate duplicates Z: 14 12.637 1.944 0.526 0.451 0.923 0.538 CB 1.346 14 residues pruned to eliminate duplicates Z: 6 4.270 1.711 -0.041 0.649 1.000 0.600 CB 1.013 Z: 31 26.364 2.175 0.649 0.573 0.833 0.700 CB 1.501 31 residues pruned to eliminate duplicates Z: 9 12.799 1.962 0.379 0.825 1.000 1.000 CB 1.262 9 residues pruned to eliminate duplicates Z: 97 55.626 2.197 0.891 0.538 0.896 0.552 CB 1.470 34 residues pruned to eliminate duplicates Z: 20 21.855 1.907 0.876 0.519 1.000 0.684 CB 1.376 20 residues pruned to eliminate duplicates Z: 32 34.343 2.263 0.819 0.605 0.871 0.710 CB 1.557 32 residues pruned to eliminate duplicates Z: 15 21.407 2.098 0.259 0.931 1.000 0.714 CB 1.513 15 residues pruned to eliminate duplicates Z: 93 48.548 2.264 0.583 0.608 0.913 0.641 CB 1.396 104 residues pruned to eliminate duplicates Z: 12 9.355 1.913 0.498 0.433 0.818 0.273 CB 1.290 12 residues pruned to eliminate duplicates 6 1.939 1.534 0.202 0.384 0.600 0.400 CB 0.887 ? Z: 12 22.253 2.115 0.853 0.556 1.000 0.727 CB 1.620 15 residues pruned to eliminate duplicates Z: 10 23.100 2.208 0.399 0.928 1.000 0.889 CB 1.745 10 residues pruned to eliminate duplicates Z: 98 63.241 2.259 0.726 0.651 0.938 0.691 CB 1.525 98 residues pruned to eliminate duplicates Z: 11 5.423 1.650 0.315 0.345 0.900 0.500 CB 1.039 11 residues pruned to eliminate duplicates Z: 34 35.295 2.253 0.810 0.508 0.879 0.667 CA 1.702 34 residues pruned to eliminate duplicates Z: 15 15.279 1.951 0.582 0.472 0.929 0.714 CB 1.466 15 residues pruned to eliminate duplicates Z: 15 15.022 2.268 0.626 0.368 0.786 0.357 CB 1.596 15 residues pruned to eliminate duplicates Z: 35 39.152 2.146 0.757 0.861 0.941 0.618 CB 1.390 35 residues pruned to eliminate duplicates Z: 6 20.007 2.532 0.739 0.698 1.000 1.000 CB 1.697 6 residues pruned to eliminate duplicates Z: 25 27.231 2.177 0.746 0.656 0.917 0.750 CB 1.380 25 residues pruned to eliminate duplicates Z: 16 27.038 2.132 0.659 0.900 0.933 0.733 CA 1.511 16 residues pruned to eliminate duplicates Z: 22 26.826 2.044 0.873 0.780 0.952 0.571 CB 1.254 22 residues pruned to eliminate duplicates Z: 14 10.828 1.788 0.467 0.580 0.846 0.692 CB 1.253 Z: 9 12.023 2.060 0.895 0.594 0.875 0.625 CB 1.138 Z: 27 29.700 2.028 0.812 0.696 0.923 0.731 CB 1.436 27 residues pruned to eliminate duplicates Z: 12 7.998 1.549 0.976 0.476 0.818 0.364 CB 0.987 12 residues pruned to eliminate duplicates Z: 37 29.826 2.203 0.681 0.439 0.917 0.444 CB 1.560 46 residues pruned to eliminate duplicates Z: 27 20.541 2.299 0.478 0.297 0.808 0.462 CB 1.841 27 residues pruned to eliminate duplicates Z: 21 20.151 1.951 0.533 0.534 1.000 0.750 CB 1.457 21 residues pruned to eliminate duplicates Z: 6 9.326 1.822 0.373 0.823 1.000 0.800 CA 1.259 6 residues pruned to eliminate duplicates Z: 15 14.949 1.806 0.387 0.930 1.000 0.643 CB 1.115 15 residues pruned to eliminate duplicates Z: 14 17.032 2.149 0.641 0.365 1.000 0.846 CB 1.548 14 residues pruned to eliminate duplicates Z: 8 4.852 1.935 0.149 0.412 0.714 0.286 CB 1.266 8 residues pruned to eliminate duplicates Z: 8 10.003 1.996 0.601 0.594 0.857 0.714 CA 1.261 8 residues pruned to eliminate duplicates Z: 36 20.780 2.066 0.496 0.492 0.829 0.657 CB 1.383 36 residues pruned to eliminate duplicates Z: 26 19.152 2.113 0.586 0.458 0.880 0.600 CB 1.355 6 residues pruned to eliminate duplicates Z: 15 14.499 1.854 0.316 0.894 1.000 0.857 CB 1.139 15 residues pruned to eliminate duplicates Z: 35 32.597 2.156 0.441 0.853 0.941 0.735 CB 1.413 35 residues pruned to eliminate duplicates Z: 12 10.228 1.864 0.639 0.493 0.909 0.455 CB 1.118 12 residues pruned to eliminate duplicates Z: 27 22.087 1.979 0.770 0.495 0.846 0.615 CB 1.469 27 residues pruned to eliminate duplicates Z: 11 10.974 1.953 0.808 0.399 0.700 0.400 CB 1.563 11 residues pruned to eliminate duplicates Z: 12 13.715 2.065 0.549 0.917 1.000 0.636 CB 0.912 12 residues pruned to eliminate duplicates Z: 26 27.314 2.013 0.943 0.770 0.880 0.600 CB 1.249 26 residues pruned to eliminate duplicates Z: 14 19.845 1.879 1.110 0.888 1.000 0.615 CB 1.000 14 residues pruned to eliminate duplicates Z: 14 23.428 2.085 1.027 0.791 0.769 0.538 CB 1.548 14 residues pruned to eliminate duplicates Z: 37 26.992 1.944 0.700 0.792 0.917 0.500 CB 1.150 37 residues pruned to eliminate duplicates Z: 13 19.243 2.056 0.850 0.516 0.917 0.750 CB 1.567 13 residues pruned to eliminate duplicates Z: 13 31.276 2.163 1.165 0.700 1.000 0.833 CA 1.606 13 residues pruned to eliminate duplicates Z: 39 27.552 2.160 0.678 0.473 0.789 0.553 CB 1.605 39 residues pruned to eliminate duplicates Z: 15 25.435 2.050 0.546 0.934 1.000 0.857 CB 1.496 15 residues pruned to eliminate duplicates Z: 7 5.250 1.620 0.470 0.584 0.833 0.500 CB 0.997 Z: 9 2.678 1.693 0.209 0.299 0.625 0.375 CB 0.927 Z: 15 14.339 2.060 0.661 0.443 0.786 0.500 CB 1.512 15 residues pruned to eliminate duplicates Z: 30 27.625 2.133 0.737 0.501 0.931 0.552 CB 1.486 31 residues pruned to eliminate duplicates Z: 20 5.365 1.584 0.254 0.216 0.789 0.368 N 1.097 20 residues pruned to eliminate duplicates Z: 7 11.445 1.943 0.943 0.612 0.833 0.833 CB 1.336 Z: 53 37.024 2.134 0.637 0.631 0.885 0.712 CB 1.469 53 residues pruned to eliminate duplicates Z: 16 20.465 1.915 0.611 0.883 0.933 0.867 CB 1.327 16 residues pruned to eliminate duplicates Z: 27 16.417 1.824 0.459 0.496 0.885 0.654 CB 1.373 27 residues pruned to eliminate duplicates Z: 33 34.629 2.074 0.783 0.671 0.906 0.719 CB 1.560 33 residues pruned to eliminate duplicates Z: 17 16.843 2.135 0.803 0.415 0.812 0.562 CB 1.471 17 residues pruned to eliminate duplicates Z: 13 29.412 2.328 0.899 0.785 0.917 0.750 CA 1.631 13 residues pruned to eliminate duplicates Z: 10 8.438 1.727 0.386 0.868 1.000 0.778 CB 0.859 9 residues pruned to eliminate duplicates Z: 7 2.676 1.525 -0.113 0.491 0.833 0.500 N 0.977 7 residues pruned to eliminate duplicates Z: 58 41.489 2.215 0.735 0.529 0.877 0.544 CB 1.584 58 residues pruned to eliminate duplicates Z: 33 30.726 2.235 0.642 0.613 0.906 0.719 CB 1.467 33 residues pruned to eliminate duplicates Z: 29 31.381 2.080 0.637 0.743 1.000 0.821 CB 1.402 46 residues pruned to eliminate duplicates Z: 28 29.466 2.158 0.825 0.545 0.852 0.630 CB 1.617 28 residues pruned to eliminate duplicates Z: 35 25.578 2.099 0.667 0.546 0.853 0.588 CB 1.405 124 residues pruned to eliminate duplicates Z: 12 11.875 2.269 0.821 0.306 0.818 0.273 CA 1.314 12 residues pruned to eliminate duplicates Z: 19 32.768 2.294 0.750 0.917 0.833 0.278 CB 1.629 19 residues pruned to eliminate duplicates Z: 35 22.243 2.101 0.596 0.373 0.882 0.529 CB 1.477 20 residues pruned to eliminate duplicates Z: 33 35.905 2.158 0.747 0.831 0.906 0.719 CB 1.395 33 residues pruned to eliminate duplicates Z: 21 27.561 2.218 0.443 0.882 0.900 0.800 CB 1.549 21 residues pruned to eliminate duplicates Z: 13 4.051 1.670 0.446 0.227 0.667 0.417 CB 1.000 13 residues pruned to eliminate duplicates Z: 15 5.506 1.561 0.520 0.392 0.786 0.429 CB 0.885 15 residues pruned to eliminate duplicates Z: 7 4.361 1.737 -0.141 0.303 1.000 0.500 CA 1.486 7 residues pruned to eliminate duplicates Z: 22 20.570 2.082 0.682 0.497 0.905 0.381 CB 1.420 Z: 28 33.606 2.334 0.672 0.621 0.889 0.741 CB 1.663 28 residues pruned to eliminate duplicates Z: 58 43.254 2.079 0.807 0.660 0.930 0.754 CB 1.414 58 residues pruned to eliminate duplicates Z: 15 10.342 1.989 0.450 0.330 0.786 0.500 CA 1.470 15 residues pruned to eliminate duplicates Z: 14 16.903 2.385 0.552 0.408 0.846 0.385 CB 1.649 14 residues pruned to eliminate duplicates Z: 82 52.994 2.321 0.576 0.609 0.938 0.630 CB 1.547 82 residues pruned to eliminate duplicates Z: 16 23.865 2.089 0.324 0.940 1.000 1.000 CA 1.547 16 residues pruned to eliminate duplicates Z: 17 33.590 1.998 1.171 0.950 0.938 0.625 CB 1.424 17 residues pruned to eliminate duplicates Z: 13 19.478 2.040 0.842 0.599 0.917 0.750 CB 1.485 13 residues pruned to eliminate duplicates Z: 6 5.706 1.653 0.674 0.479 0.800 0.800 CB 1.176 Z: 29 25.424 2.170 0.510 0.562 0.929 0.607 CB 1.487 29 residues pruned to eliminate duplicates Z: 54 34.730 2.094 0.613 0.682 0.887 0.642 CB 1.347 54 residues pruned to eliminate duplicates Z: 16 17.980 1.842 0.508 0.947 1.000 0.933 CB 1.155 15 residues pruned to eliminate duplicates Z: 16 13.005 1.769 0.214 0.899 1.000 0.867 CB 1.117 16 residues pruned to eliminate duplicates Z: 17 24.384 2.117 0.964 0.722 0.750 0.562 CB 1.600 15 residues pruned to eliminate duplicates Z: 9 5.471 1.770 0.467 0.495 0.750 0.625 CA 0.998 9 residues pruned to eliminate duplicates Z: 13 21.592 2.165 0.734 0.755 0.917 0.583 CB 1.444 13 residues pruned to eliminate duplicates Z: 36 28.233 2.048 0.833 0.533 0.886 0.771 CB 1.389 27 residues pruned to eliminate duplicates Z: 10 5.838 1.680 0.408 0.306 0.889 0.444 CA 1.148 10 residues pruned to eliminate duplicates Z: 27 23.433 2.154 0.509 0.483 0.962 0.654 CB 1.496 27 residues pruned to eliminate duplicates Z: 7 2.928 1.536 0.435 0.261 0.667 0.500 CB 1.069 Z: 7 6.625 1.835 0.417 0.570 0.833 0.833 CA 1.167 7 residues pruned to eliminate duplicates Z: 11 16.498 1.975 0.522 0.723 1.000 0.800 CB 1.420 17 residues pruned to eliminate duplicates Z: 20 19.989 1.895 0.839 0.531 0.947 0.579 CB 1.347 20 residues pruned to eliminate duplicates Z: 6 3.498 1.741 -0.156 0.440 0.800 0.600 CB 1.416 6 residues pruned to eliminate duplicates Z: 29 15.022 1.753 0.524 0.473 0.857 0.607 CB 1.274 Z: 31 28.460 2.140 0.766 0.567 0.867 0.433 CB 1.487 24 residues pruned to eliminate duplicates Z: 6 3.612 1.516 0.422 0.716 0.800 0.800 N 0.770 6 residues pruned to eliminate duplicates Z: 6 3.298 1.562 0.451 0.438 0.600 0.400 N 1.156 Z: 17 35.038 1.996 1.154 0.950 1.000 0.812 CB 1.406 17 residues pruned to eliminate duplicates Z: 53 52.370 2.323 0.991 0.579 0.923 0.500 CB 1.577 53 residues pruned to eliminate duplicates Z: 8 6.333 1.626 0.301 0.450 0.857 0.571 CA 1.389 Z: 100 55.468 2.133 0.867 0.570 0.929 0.646 CB 1.407 160 residues pruned to eliminate duplicates Z: 13 19.033 2.082 0.281 0.919 1.000 0.833 CB 1.452 13 residues pruned to eliminate duplicates Z: 28 39.506 2.239 0.658 0.855 0.963 0.741 CB 1.570 28 residues pruned to eliminate duplicates Z: 17 28.227 2.114 1.000 0.605 0.938 0.750 CB 1.610 17 residues pruned to eliminate duplicates Z: 19 18.018 1.907 0.901 0.493 0.889 0.556 CB 1.328 19 residues pruned to eliminate duplicates Z: 17 10.255 1.667 0.438 0.461 0.875 0.625 CB 1.272 Z: 7 3.444 1.970 -0.198 0.257 1.000 0.833 CB 1.176 7 residues pruned to eliminate duplicates Z: 10 7.114 1.777 -0.176 0.576 1.000 0.889 C 1.504 Z: 24 14.579 1.960 0.593 0.511 0.739 0.478 CB 1.303 24 residues pruned to eliminate duplicates Z: 8 6.572 1.699 0.852 0.541 0.857 0.571 N 0.885 Z: 55 41.806 2.139 0.886 0.540 0.944 0.611 CB 1.435 55 residues pruned to eliminate duplicates Z: 12 34.668 2.376 0.772 0.932 1.000 1.000 CB 1.734 12 residues pruned to eliminate duplicates Z: 15 8.964 1.764 0.496 0.431 0.786 0.286 CB 1.242 15 residues pruned to eliminate duplicates Z: 12 9.245 1.736 0.059 0.831 1.000 0.909 CA 1.139 12 residues pruned to eliminate duplicates Z: 30 41.011 2.449 0.755 0.605 0.966 0.793 CB 1.662 30 residues pruned to eliminate duplicates Z: 15 13.132 1.993 0.608 0.361 0.786 0.571 CA 1.620 15 residues pruned to eliminate duplicates Z: 16 15.761 1.883 0.448 0.798 0.933 0.467 CB 1.232 16 residues pruned to eliminate duplicates Z: 8 6.439 1.650 0.614 0.436 1.000 0.714 CB 0.976 7 residues pruned to eliminate duplicates Z: 6 2.595 1.745 0.016 0.433 1.000 0.600 CB 0.702 5 residues pruned to eliminate duplicates Z: 42 37.478 2.250 0.734 0.565 0.927 0.659 CB 1.520 42 residues pruned to eliminate duplicates 6 1.658 1.406 0.036 0.215 1.000 0.400 CB 0.712 ? Z: 12 18.411 2.130 0.701 0.879 0.909 0.818 CB 1.223 Z: 51 50.690 2.348 0.945 0.541 0.920 0.600 CB 1.639 51 residues pruned to eliminate duplicates Z: 13 15.832 1.965 0.733 0.591 0.917 0.750 CB 1.342 13 residues pruned to eliminate duplicates Z: 9 17.026 2.172 0.457 0.864 0.875 0.875 CB 1.594 9 residues pruned to eliminate duplicates Z: 16 29.290 2.208 0.909 0.805 0.867 0.533 CB 1.587 Z: 83 50.670 2.151 0.792 0.579 0.927 0.524 CB 1.452 116 residues pruned to eliminate duplicates Z: 18 32.581 2.355 0.846 0.714 0.882 0.765 CB 1.697 18 residues pruned to eliminate duplicates Z: 36 35.676 2.123 0.773 0.829 0.886 0.400 CB 1.361 36 residues pruned to eliminate duplicates Z: 6 9.733 1.568 0.871 0.810 1.000 0.600 CB 1.132 6 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 18 23.003 1.896 0.559 0.848 0.941 0.824 CB 1.488 18 residues pruned to eliminate duplicates Z: 15 31.859 2.097 0.651 0.945 1.000 0.929 CB 1.702 17 residues pruned to eliminate duplicates Z: 17 24.615 2.017 0.391 0.920 1.000 0.938 CB 1.544 16 residues pruned to eliminate duplicates Z: 15 20.840 2.059 0.212 0.929 1.000 0.857 CB 1.561 15 residues pruned to eliminate duplicates Z: 18 23.618 1.917 0.589 0.874 0.941 0.706 CB 1.454 18 residues pruned to eliminate duplicates Z: 17 24.002 2.006 0.606 0.881 0.875 0.875 CB 1.541 17 residues pruned to eliminate duplicates Z: 17 26.146 2.032 0.552 0.915 0.938 0.938 CB 1.563 17 residues pruned to eliminate duplicates Z: 15 30.728 2.108 0.626 0.932 1.000 0.786 CB 1.672 15 residues pruned to eliminate duplicates Z: 17 25.439 2.013 0.628 0.928 0.938 0.812 CB 1.450 17 residues pruned to eliminate duplicates Z: 15 30.308 2.092 0.670 0.939 1.000 0.714 CB 1.611 15 residues pruned to eliminate duplicates Z: 16 24.678 1.999 0.745 0.882 0.933 0.533 CB 1.416 16 residues pruned to eliminate duplicates Z: 17 30.143 1.994 0.783 0.929 1.000 0.312 CB 1.484 17 residues pruned to eliminate duplicates Z: 17 26.013 1.989 0.673 0.900 0.938 0.438 CB 1.489 17 residues pruned to eliminate duplicates Z: 17 26.008 1.989 0.667 0.919 0.938 0.625 CB 1.474 17 residues pruned to eliminate duplicates Z: 17 26.207 2.018 0.623 0.911 0.938 0.750 CB 1.513 17 residues pruned to eliminate duplicates Z: 12 12.220 2.007 0.927 0.694 0.909 0.636 CB 0.878 Z: 6 2.664 1.583 0.812 0.450 0.800 0.800 CB 0.546 6 residues pruned to eliminate duplicates Z: 6 2.422 1.509 0.207 0.425 0.800 0.200 N 0.804 6 residues pruned to eliminate duplicates Z: 13 12.906 2.008 0.588 0.713 0.917 0.750 CB 1.050 11 residues pruned to eliminate duplicates Z: 7 5.738 1.703 0.620 0.338 1.000 0.333 CA 1.013 7 residues pruned to eliminate duplicates Z: 35 32.297 2.306 0.809 0.557 0.794 0.529 CB 1.582 35 residues pruned to eliminate duplicates Z: 35 33.805 2.208 0.751 0.550 0.941 0.676 CB 1.518 35 residues pruned to eliminate duplicates Z: 23 46.201 2.373 0.904 0.784 0.955 0.591 CB 1.779 23 residues pruned to eliminate duplicates Z: 30 37.196 2.314 0.801 0.616 0.862 0.517 CB 1.723 30 residues pruned to eliminate duplicates Z: 30 37.672 2.336 0.761 0.602 0.897 0.690 CB 1.721 30 residues pruned to eliminate duplicates Z: 32 37.179 2.331 0.757 0.618 0.968 0.645 CB 1.507 46 residues pruned to eliminate duplicates Z: 21 48.099 2.404 1.082 0.807 0.950 0.700 CB 1.731 21 residues pruned to eliminate duplicates Z: 30 42.643 2.324 0.747 0.623 1.000 0.586 CB 1.736 30 residues pruned to eliminate duplicates Z: 34 35.747 2.284 0.799 0.583 0.909 0.545 CB 1.538 34 residues pruned to eliminate duplicates Z: 20 54.034 2.436 1.128 0.876 0.947 0.684 CB 1.834 20 residues pruned to eliminate duplicates Z: 51 36.680 2.250 0.734 0.482 0.860 0.500 CB 1.575 51 residues pruned to eliminate duplicates Z: 29 39.208 2.315 0.851 0.658 0.893 0.571 CB 1.672 29 residues pruned to eliminate duplicates Z: 88 55.896 2.257 0.645 0.614 0.954 0.678 CB 1.519 88 residues pruned to eliminate duplicates Z: 79 55.332 2.310 0.694 0.613 0.923 0.628 CB 1.557 79 residues pruned to eliminate duplicates Z: 82 55.335 2.330 0.643 0.591 0.926 0.617 CB 1.591 82 residues pruned to eliminate duplicates Z: 33 36.271 2.312 0.916 0.601 0.906 0.562 CB 1.451 33 residues pruned to eliminate duplicates Z: 57 45.142 2.312 0.629 0.609 0.929 0.714 CB 1.556 57 residues pruned to eliminate duplicates Z: 79 56.205 2.304 0.743 0.587 0.923 0.705 CB 1.579 79 residues pruned to eliminate duplicates Z: 44 34.748 2.177 0.770 0.582 0.930 0.628 CB 1.366 44 residues pruned to eliminate duplicates Z: 30 43.403 2.348 0.810 0.628 0.966 0.621 CB 1.742 30 residues pruned to eliminate duplicates Z: 32 35.649 2.326 0.737 0.581 0.935 0.581 CB 1.566 32 residues pruned to eliminate duplicates Z: 129 60.628 2.197 0.664 0.584 0.914 0.648 CB 1.479 129 residues pruned to eliminate duplicates Z: 47 54.433 2.366 0.846 0.697 0.957 0.717 CB 1.605 47 residues pruned to eliminate duplicates Z: 116 59.030 2.226 0.659 0.586 0.904 0.661 CB 1.518 116 residues pruned to eliminate duplicates Z: 79 55.723 2.313 0.615 0.619 0.949 0.692 CB 1.592 79 residues pruned to eliminate duplicates Z: 81 54.699 2.314 0.606 0.624 0.950 0.663 CB 1.542 81 residues pruned to eliminate duplicates Z: 96 59.399 2.280 0.652 0.580 0.947 0.579 CB 1.581 96 residues pruned to eliminate duplicates Z: 38 43.976 2.373 0.808 0.644 0.973 0.676 CB 1.514 38 residues pruned to eliminate duplicates Z: 76 56.562 2.339 0.606 0.659 0.960 0.720 CB 1.562 76 residues pruned to eliminate duplicates Z: 79 49.539 2.267 0.692 0.580 0.897 0.641 CB 1.509 79 residues pruned to eliminate duplicates Z: 118 60.802 2.244 0.700 0.589 0.915 0.650 CB 1.480 118 residues pruned to eliminate duplicates Z: 92 56.177 2.279 0.651 0.607 0.945 0.681 CB 1.497 92 residues pruned to eliminate duplicates Z: 79 54.585 2.321 0.558 0.631 0.949 0.667 CB 1.594 79 residues pruned to eliminate duplicates Z: 79 56.913 2.322 0.698 0.629 0.910 0.628 CB 1.590 79 residues pruned to eliminate duplicates Z: 113 57.607 2.186 0.687 0.616 0.920 0.571 CB 1.438 113 residues pruned to eliminate duplicates Z: 83 56.154 2.325 0.615 0.627 0.951 0.683 CB 1.540 83 residues pruned to eliminate duplicates Z: 31 35.784 2.322 0.675 0.645 1.000 0.667 CB 1.468 31 residues pruned to eliminate duplicates Z: 147 67.920 2.266 0.665 0.570 0.918 0.582 CB 1.518 147 residues pruned to eliminate duplicates Z: 50 54.058 2.351 0.694 0.708 0.980 0.735 CB 1.638 50 residues pruned to eliminate duplicates Z: 55 45.941 2.288 0.752 0.634 0.889 0.722 CB 1.547 55 residues pruned to eliminate duplicates Z: 73 52.998 2.313 0.607 0.671 0.931 0.681 CB 1.542 73 residues pruned to eliminate duplicates Z: 83 54.837 2.284 0.706 0.618 0.915 0.683 CB 1.520 83 residues pruned to eliminate duplicates Z: 63 46.904 2.320 0.609 0.572 0.952 0.597 CB 1.564 63 residues pruned to eliminate duplicates Z: 79 50.337 2.286 0.641 0.565 0.910 0.577 CB 1.567 79 residues pruned to eliminate duplicates Z: 51 50.583 2.342 0.717 0.684 0.960 0.680 CB 1.566 51 residues pruned to eliminate duplicates Z: 32 32.777 2.312 0.728 0.621 0.935 0.645 CB 1.405 32 residues pruned to eliminate duplicates Z: 117 58.361 2.198 0.691 0.573 0.922 0.638 CB 1.473 117 residues pruned to eliminate duplicates Z: 51 48.993 2.287 0.767 0.667 0.960 0.620 CB 1.531 51 residues pruned to eliminate duplicates Z: 80 54.031 2.309 0.649 0.617 0.924 0.684 CB 1.547 80 residues pruned to eliminate duplicates Z: 54 43.585 2.278 0.679 0.602 0.943 0.604 CB 1.506 54 residues pruned to eliminate duplicates Z: 79 56.694 2.323 0.687 0.619 0.936 0.692 CB 1.564 79 residues pruned to eliminate duplicates Z: 80 58.087 2.322 0.678 0.614 0.949 0.671 CB 1.586 80 residues pruned to eliminate duplicates Z: 24 27.635 2.242 0.711 0.664 0.870 0.739 CB 1.484 24 residues pruned to eliminate duplicates Z: 25 30.495 2.315 0.604 0.650 0.917 0.708 CB 1.592 25 residues pruned to eliminate duplicates Z: 30 24.979 2.193 0.550 0.567 0.862 0.655 CB 1.482 30 residues pruned to eliminate duplicates Z: 122 63.129 2.256 0.692 0.582 0.909 0.661 CB 1.528 122 residues pruned to eliminate duplicates Z: 36 31.814 2.226 0.811 0.522 0.943 0.600 CB 1.384 36 residues pruned to eliminate duplicates Z: 52 44.258 2.304 0.673 0.628 0.961 0.608 CB 1.484 52 residues pruned to eliminate duplicates Z: 82 54.931 2.312 0.669 0.613 0.938 0.630 CB 1.514 82 residues pruned to eliminate duplicates Z: 25 33.532 2.237 0.781 0.683 0.958 0.667 CB 1.515 25 residues pruned to eliminate duplicates Z: 59 44.268 2.153 0.763 0.627 0.931 0.586 CB 1.460 59 residues pruned to eliminate duplicates Z: 81 53.895 2.318 0.670 0.580 0.925 0.575 CB 1.558 81 residues pruned to eliminate duplicates Z: 28 32.005 2.144 0.699 0.631 0.963 0.667 CB 1.553 28 residues pruned to eliminate duplicates Z: 24 32.447 2.305 0.870 0.654 0.870 0.609 CB 1.563 24 residues pruned to eliminate duplicates Z: 59 41.005 2.132 0.696 0.588 0.897 0.621 CB 1.526 59 residues pruned to eliminate duplicates Z: 79 57.515 2.311 0.712 0.615 0.936 0.641 CB 1.577 79 residues pruned to eliminate duplicates Z: 37 35.205 2.172 0.840 0.547 0.917 0.611 CB 1.530 37 residues pruned to eliminate duplicates Z: 35 29.512 2.217 0.789 0.492 0.882 0.588 CB 1.458 35 residues pruned to eliminate duplicates Z: 57 38.491 2.075 0.793 0.569 0.875 0.571 CB 1.478 57 residues pruned to eliminate duplicates Z: 42 25.395 1.985 0.676 0.532 0.805 0.610 CB 1.435 42 residues pruned to eliminate duplicates Z: 82 65.493 2.280 0.846 0.649 0.951 0.630 CB 1.583 82 residues pruned to eliminate duplicates Z: 84 48.661 2.206 0.760 0.533 0.880 0.578 CB 1.514 84 residues pruned to eliminate duplicates Z: 87 51.382 2.175 0.801 0.567 0.895 0.558 CB 1.481 87 residues pruned to eliminate duplicates Z: 28 29.624 2.014 0.852 0.600 0.926 0.667 CB 1.501 28 residues pruned to eliminate duplicates Z: 38 32.773 2.022 0.796 0.623 0.919 0.703 CB 1.438 38 residues pruned to eliminate duplicates Z: 59 34.355 2.078 0.678 0.540 0.879 0.483 CB 1.415 59 residues pruned to eliminate duplicates Z: 43 32.372 2.053 0.715 0.589 0.929 0.548 CB 1.403 43 residues pruned to eliminate duplicates Z: 62 47.149 2.196 0.804 0.579 0.902 0.574 CB 1.567 62 residues pruned to eliminate duplicates Z: 32 34.532 2.108 0.909 0.680 0.903 0.645 CB 1.446 32 residues pruned to eliminate duplicates Z: 33 33.376 2.094 0.814 0.670 0.906 0.656 CB 1.465 33 residues pruned to eliminate duplicates Z: 33 34.921 2.111 0.802 0.674 0.938 0.688 CB 1.475 33 residues pruned to eliminate duplicates Z: 140 71.537 2.259 0.750 0.576 0.935 0.604 CB 1.525 140 residues pruned to eliminate duplicates Z: 34 33.177 2.056 0.856 0.633 0.939 0.606 CB 1.422 34 residues pruned to eliminate duplicates Z: 38 34.098 2.079 0.813 0.648 0.919 0.757 CB 1.410 38 residues pruned to eliminate duplicates Z: 34 33.715 2.113 0.806 0.691 0.879 0.727 CB 1.469 34 residues pruned to eliminate duplicates Z: 36 33.582 2.057 0.770 0.643 0.914 0.714 CB 1.492 36 residues pruned to eliminate duplicates Z: 33 30.647 2.096 0.657 0.677 0.938 0.781 CB 1.414 33 residues pruned to eliminate duplicates Z: 36 29.435 2.008 0.799 0.615 0.886 0.743 CB 1.395 36 residues pruned to eliminate duplicates Z: 22 23.630 1.956 0.600 0.727 0.952 0.714 CB 1.410 22 residues pruned to eliminate duplicates Z: 22 23.183 1.856 0.758 0.799 0.905 0.667 CB 1.319 22 residues pruned to eliminate duplicates Z: 27 19.392 1.900 0.643 0.584 0.923 0.692 CB 1.218 27 residues pruned to eliminate duplicates Z: 38 33.020 2.037 0.908 0.591 0.892 0.676 CB 1.435 38 residues pruned to eliminate duplicates Z: 49 45.592 2.223 0.895 0.660 0.833 0.688 CB 1.616 49 residues pruned to eliminate duplicates Z: 33 29.543 2.100 0.736 0.666 0.906 0.750 CB 1.356 33 residues pruned to eliminate duplicates Z: 24 24.220 1.896 0.753 0.716 0.913 0.739 CB 1.368 24 residues pruned to eliminate duplicates Z: 26 20.403 1.828 0.646 0.644 0.920 0.600 CB 1.288 26 residues pruned to eliminate duplicates Z: 35 32.572 2.059 0.883 0.612 0.912 0.529 CB 1.420 35 residues pruned to eliminate duplicates Z: 68 44.626 2.188 0.802 0.558 0.881 0.522 CB 1.485 68 residues pruned to eliminate duplicates Z: 40 30.742 2.044 0.931 0.588 0.821 0.436 CB 1.397 40 residues pruned to eliminate duplicates Z: 22 26.324 2.003 0.951 0.706 0.905 0.524 CB 1.347 22 residues pruned to eliminate duplicates Z: 58 40.423 2.127 0.830 0.547 0.895 0.579 CB 1.469 58 residues pruned to eliminate duplicates Z: 30 21.164 1.878 0.781 0.572 0.897 0.655 CB 1.223 30 residues pruned to eliminate duplicates Z: 71 44.410 2.153 0.836 0.526 0.871 0.600 CB 1.501 71 residues pruned to eliminate duplicates Z: 34 43.301 2.380 0.888 0.585 0.939 0.697 CB 1.645 34 residues pruned to eliminate duplicates Z: 53 49.602 2.340 0.904 0.561 0.904 0.519 CB 1.610 48 residues pruned to eliminate duplicates Z: 6 4.586 1.759 0.490 0.476 0.800 0.400 CA 1.002 Z: 7 5.842 1.624 1.161 0.211 0.667 0.333 CA 1.434 7 residues pruned to eliminate duplicates Z: 69 54.921 2.227 0.926 0.597 0.926 0.632 CB 1.528 75 residues pruned to eliminate duplicates Z: 21 33.378 2.520 0.730 0.559 0.900 0.500 CB 1.796 21 residues pruned to eliminate duplicates Z: 32 32.587 2.377 0.603 0.501 0.935 0.516 CB 1.640 32 residues pruned to eliminate duplicates Z: 30 37.980 2.438 0.721 0.508 0.966 0.552 CB 1.728 30 residues pruned to eliminate duplicates Z: 26 32.629 2.399 0.796 0.505 0.920 0.640 CB 1.638 26 residues pruned to eliminate duplicates Z: 21 36.466 2.426 0.900 0.584 0.950 0.700 CA 1.718 21 residues pruned to eliminate duplicates Z: 31 36.422 2.375 0.845 0.528 0.900 0.700 CB 1.640 31 residues pruned to eliminate duplicates Z: 34 35.531 2.360 0.741 0.510 0.909 0.515 CB 1.640 34 residues pruned to eliminate duplicates Z: 40 35.933 2.311 0.737 0.506 0.949 0.615 CB 1.501 40 residues pruned to eliminate duplicates Z: 39 35.372 2.304 0.762 0.467 0.921 0.684 CB 1.586 39 residues pruned to eliminate duplicates Z: 30 43.199 2.486 0.895 0.566 0.931 0.759 CB 1.715 30 residues pruned to eliminate duplicates Z: 31 39.081 2.391 0.874 0.528 0.933 0.700 CB 1.659 31 residues pruned to eliminate duplicates Z: 33 34.931 2.341 0.842 0.480 0.938 0.625 CB 1.559 33 residues pruned to eliminate duplicates Z: 30 45.593 2.456 0.927 0.593 0.966 0.759 CB 1.696 30 residues pruned to eliminate duplicates Z: 32 47.223 2.420 0.947 0.590 0.968 0.806 CB 1.706 32 residues pruned to eliminate duplicates Z: 59 48.879 2.284 0.890 0.531 0.914 0.655 CB 1.578 59 residues pruned to eliminate duplicates Z: 33 37.488 2.385 0.740 0.524 0.938 0.719 CB 1.664 33 residues pruned to eliminate duplicates Z: 28 41.170 2.442 0.794 0.596 1.000 0.778 CB 1.650 28 residues pruned to eliminate duplicates Z: 31 36.926 2.455 0.928 0.481 0.900 0.567 CB 1.613 31 residues pruned to eliminate duplicates Z: 32 39.313 2.353 0.780 0.547 0.968 0.742 CB 1.664 32 residues pruned to eliminate duplicates Z: 54 50.636 2.207 0.835 0.664 0.943 0.736 CB 1.564 54 residues pruned to eliminate duplicates Z: 31 39.685 2.408 0.788 0.575 0.933 0.667 CB 1.676 31 residues pruned to eliminate duplicates Z: 32 40.808 2.402 0.808 0.509 0.968 0.710 CB 1.729 32 residues pruned to eliminate duplicates Z: 33 40.629 2.389 0.782 0.571 0.938 0.719 CB 1.680 33 residues pruned to eliminate duplicates Z: 36 38.016 2.255 0.833 0.529 0.971 0.686 CB 1.555 36 residues pruned to eliminate duplicates Z: 62 53.014 2.359 0.817 0.605 0.885 0.754 CB 1.619 62 residues pruned to eliminate duplicates Z: 38 38.131 2.232 0.795 0.594 0.892 0.568 CB 1.604 24 residues pruned to eliminate duplicates Z: 17 37.405 2.342 1.018 0.776 0.938 0.688 CB 1.653 17 residues pruned to eliminate duplicates Z: 31 40.000 2.311 0.671 0.612 1.000 0.700 CB 1.702 31 residues pruned to eliminate duplicates Z: 28 49.115 2.398 0.877 0.644 1.000 0.630 CB 1.835 28 residues pruned to eliminate duplicates Z: 30 44.281 2.362 0.835 0.654 0.966 0.655 CB 1.702 30 residues pruned to eliminate duplicates Z: 17 37.328 2.404 0.950 0.763 1.000 0.875 CB 1.575 17 residues pruned to eliminate duplicates Z: 37 34.366 2.211 0.607 0.571 0.972 0.639 CB 1.548 37 residues pruned to eliminate duplicates Z: 19 34.442 2.225 1.055 0.669 1.000 0.833 CB 1.519 19 residues pruned to eliminate duplicates Z: 18 38.478 2.332 1.093 0.707 1.000 0.588 CB 1.584 18 residues pruned to eliminate duplicates Z: 20 34.182 2.239 1.157 0.630 0.947 0.789 CB 1.517 20 residues pruned to eliminate duplicates Z: 19 38.907 2.315 1.153 0.685 1.000 0.667 CB 1.553 19 residues pruned to eliminate duplicates Z: 16 37.431 2.456 1.211 0.814 0.867 0.800 CB 1.563 16 residues pruned to eliminate duplicates Z: 31 41.301 2.339 0.754 0.620 0.967 0.667 CB 1.698 31 residues pruned to eliminate duplicates Z: 18 35.039 2.216 1.128 0.700 0.941 0.706 CB 1.596 18 residues pruned to eliminate duplicates Z: 28 48.781 2.467 0.862 0.684 0.963 0.778 CB 1.792 28 residues pruned to eliminate duplicates Z: 28 47.698 2.465 0.767 0.694 1.000 0.741 CB 1.766 28 residues pruned to eliminate duplicates Z: 34 36.425 2.229 0.652 0.603 1.000 0.697 CB 1.561 34 residues pruned to eliminate duplicates Z: 30 41.533 2.356 0.780 0.639 1.000 0.655 CB 1.614 30 residues pruned to eliminate duplicates Z: 30 43.868 2.395 0.728 0.654 1.000 0.724 CB 1.705 30 residues pruned to eliminate duplicates Z: 32 42.198 2.288 0.788 0.608 1.000 0.774 CB 1.672 32 residues pruned to eliminate duplicates Z: 32 42.480 2.296 0.762 0.626 1.000 0.774 CB 1.674 32 residues pruned to eliminate duplicates Z: 31 42.311 2.337 0.734 0.625 1.000 0.700 CB 1.694 31 residues pruned to eliminate duplicates Z: 30 40.853 2.366 0.745 0.618 1.000 0.759 CB 1.643 30 residues pruned to eliminate duplicates Z: 30 44.400 2.365 0.822 0.633 1.000 0.690 CB 1.689 30 residues pruned to eliminate duplicates Z: 34 37.323 2.201 0.741 0.582 0.970 0.636 CB 1.616 35 residues pruned to eliminate duplicates Z: 7 14.313 1.911 0.788 0.821 1.000 0.833 CA 1.294 7 residues pruned to eliminate duplicates Z: 7 11.793 1.889 0.572 0.823 1.000 0.500 CA 1.225 7 residues pruned to eliminate duplicates Z: 20 17.874 1.914 0.783 0.482 0.895 0.632 CB 1.368 20 residues pruned to eliminate duplicates Z: 51 25.089 1.797 0.684 0.485 0.920 0.640 CB 1.294 19 residues pruned to eliminate duplicates Z: 9 8.858 1.696 0.647 0.774 0.875 0.625 CB 1.006 9 residues pruned to eliminate duplicates Z: 11 16.433 1.844 0.866 0.667 1.000 0.400 CB 1.294 11 residues pruned to eliminate duplicates Z: 21 23.186 1.886 0.890 0.523 1.000 0.650 CB 1.423 21 residues pruned to eliminate duplicates Z: 19 21.892 1.935 0.845 0.521 0.944 0.556 CB 1.499 19 residues pruned to eliminate duplicates Z: 18 25.490 2.037 0.868 0.519 1.000 0.647 CB 1.595 19 residues pruned to eliminate duplicates Z: 6 10.598 1.891 0.920 0.393 1.000 0.400 CA 1.462 6 residues pruned to eliminate duplicates Z: 20 20.707 1.905 0.886 0.525 0.947 0.632 CB 1.362 20 residues pruned to eliminate duplicates Z: 20 22.641 1.893 0.854 0.549 1.000 0.579 CB 1.411 20 residues pruned to eliminate duplicates Z: 20 24.007 1.918 0.906 0.579 1.000 0.789 CB 1.397 19 residues pruned to eliminate duplicates Z: 8 5.273 1.490 0.577 0.366 1.000 0.714 CB 0.980 8 residues pruned to eliminate duplicates Z: 20 21.544 1.922 0.924 0.539 0.947 0.579 CB 1.358 20 residues pruned to eliminate duplicates Z: 20 21.996 1.929 0.902 0.535 0.947 0.684 CB 1.403 20 residues pruned to eliminate duplicates Z: 12 10.017 1.693 0.381 0.754 0.909 0.727 CA 1.133 12 residues pruned to eliminate duplicates Z: 21 23.860 2.032 0.698 0.517 1.000 0.700 CB 1.520 21 residues pruned to eliminate duplicates Z: 20 25.463 2.114 0.660 0.532 1.000 0.684 CB 1.613 22 residues pruned to eliminate duplicates Z: 11 15.179 1.896 0.507 0.809 1.000 0.800 CA 1.283 11 residues pruned to eliminate duplicates Z: 22 20.502 2.075 0.621 0.397 0.952 0.571 CB 1.557 22 residues pruned to eliminate duplicates Z: 23 19.049 2.067 0.542 0.382 0.955 0.636 CB 1.514 23 residues pruned to eliminate duplicates Z: 20 24.647 2.068 0.707 0.549 1.000 0.632 CB 1.527 19 residues pruned to eliminate duplicates Z: 11 11.327 1.841 0.414 0.765 0.900 0.700 CA 1.208 11 residues pruned to eliminate duplicates Z: 21 21.570 1.996 0.768 0.485 0.950 0.700 CB 1.461 21 residues pruned to eliminate duplicates Z: 21 19.688 2.035 0.631 0.431 0.950 0.750 CB 1.500 21 residues pruned to eliminate duplicates Z: 20 24.973 2.064 0.697 0.531 1.000 0.737 CB 1.587 20 residues pruned to eliminate duplicates Z: 6 8.484 2.153 0.719 0.377 1.000 0.400 CA 1.168 6 residues pruned to eliminate duplicates Z: 20 23.000 2.128 0.803 0.419 0.947 0.684 CB 1.581 20 residues pruned to eliminate duplicates Z: 20 24.462 2.064 0.786 0.497 1.000 0.632 CB 1.527 20 residues pruned to eliminate duplicates Z: 6 8.500 1.843 0.914 0.392 1.000 0.800 CA 1.207 6 residues pruned to eliminate duplicates Z: 97 50.114 2.134 0.662 0.628 0.906 0.698 CB 1.411 97 residues pruned to eliminate duplicates Z: 40 33.545 2.079 0.744 0.596 0.949 0.718 CB 1.424 40 residues pruned to eliminate duplicates Z: 17 18.556 2.003 0.729 0.443 0.938 0.562 CB 1.515 Z: 15 11.138 1.844 0.042 0.926 0.929 0.929 CB 1.171 15 residues pruned to eliminate duplicates Z: 16 15.086 1.856 0.307 0.924 1.000 0.933 CB 1.127 16 residues pruned to eliminate duplicates Z: 16 14.227 1.850 0.239 0.910 1.000 0.800 CB 1.137 16 residues pruned to eliminate duplicates Z: 16 15.659 1.847 0.362 0.908 1.000 0.867 CB 1.142 16 residues pruned to eliminate duplicates Z: 17 16.418 1.796 0.480 0.874 1.000 0.812 CB 1.124 17 residues pruned to eliminate duplicates Z: 15 14.609 1.882 0.373 0.923 1.000 0.714 CB 1.062 15 residues pruned to eliminate duplicates Z: 15 15.211 1.882 0.420 0.933 0.929 0.786 CB 1.143 15 residues pruned to eliminate duplicates Z: 16 17.261 1.854 0.501 0.925 1.000 0.800 CB 1.124 16 residues pruned to eliminate duplicates Z: 17 15.098 1.770 0.462 0.877 1.000 0.938 CB 1.060 17 residues pruned to eliminate duplicates Z: 16 16.401 1.862 0.412 0.922 1.000 0.800 CB 1.132 16 residues pruned to eliminate duplicates Z: 15 16.704 1.884 0.489 0.914 1.000 0.786 CB 1.126 15 residues pruned to eliminate duplicates Z: 16 18.360 1.864 0.605 0.913 1.000 0.667 CB 1.122 16 residues pruned to eliminate duplicates Z: 15 18.381 1.891 0.561 0.925 1.000 0.929 CB 1.168 15 residues pruned to eliminate duplicates Z: 17 16.215 1.783 0.486 0.889 1.000 0.688 CB 1.102 17 residues pruned to eliminate duplicates Z: 6 2.549 1.480 0.414 0.288 1.000 0.400 N 0.692 6 residues pruned to eliminate duplicates Z: 18 28.912 2.415 0.731 0.434 0.941 0.647 CB 1.907 18 residues pruned to eliminate duplicates Z: 30 40.990 2.445 0.997 0.455 0.931 0.552 CB 1.753 30 residues pruned to eliminate duplicates Z: 26 27.800 2.332 0.863 0.344 0.840 0.480 CA 1.804 26 residues pruned to eliminate duplicates Z: 21 24.554 2.289 0.967 0.438 0.800 0.600 CB 1.626 21 residues pruned to eliminate duplicates Z: 27 34.113 2.380 0.846 0.450 0.923 0.423 CB 1.737 27 residues pruned to eliminate duplicates Z: 20 35.653 2.488 0.940 0.481 0.895 0.579 CB 1.932 20 residues pruned to eliminate duplicates Z: 22 23.487 2.284 0.680 0.418 0.857 0.429 CB 1.698 22 residues pruned to eliminate duplicates Z: 30 26.743 2.302 0.851 0.359 0.828 0.448 CB 1.641 30 residues pruned to eliminate duplicates Z: 21 33.970 2.437 0.881 0.523 0.900 0.550 CB 1.800 21 residues pruned to eliminate duplicates Z: 25 32.640 2.440 0.879 0.435 0.833 0.500 CB 1.865 25 residues pruned to eliminate duplicates Z: 36 30.991 2.310 0.628 0.412 0.914 0.514 CB 1.671 36 residues pruned to eliminate duplicates Z: 45 32.701 2.335 0.668 0.447 0.864 0.523 CB 1.547 45 residues pruned to eliminate duplicates Z: 27 31.049 2.320 0.800 0.444 0.885 0.500 CB 1.746 27 residues pruned to eliminate duplicates Z: 29 33.313 2.421 0.684 0.441 0.929 0.393 CB 1.768 29 residues pruned to eliminate duplicates Z: 10 10.382 2.142 0.839 0.324 0.667 0.111 CB 1.598 10 residues pruned to eliminate duplicates Z: 55 38.261 2.244 0.790 0.475 0.907 0.500 CB 1.465 55 residues pruned to eliminate duplicates Z: 25 30.518 2.319 1.061 0.546 0.917 0.667 CB 1.359 25 residues pruned to eliminate duplicates Z: 9 8.062 2.012 0.815 0.465 0.875 0.375 CB 0.925 9 residues pruned to eliminate duplicates Z: 9 8.738 1.813 0.873 0.511 0.875 0.500 CB 1.029 9 residues pruned to eliminate duplicates Z: 7 14.737 2.211 0.752 0.575 1.000 0.667 CA 1.445 7 residues pruned to eliminate duplicates Z: 74 56.365 2.311 0.896 0.542 0.932 0.562 CB 1.550 74 residues pruned to eliminate duplicates Z: 74 54.241 2.305 0.871 0.587 0.890 0.548 CB 1.520 74 residues pruned to eliminate duplicates Z: 9 10.794 2.039 1.227 0.482 0.750 0.500 CB 1.141 9 residues pruned to eliminate duplicates Z: 75 57.864 2.311 0.852 0.575 0.946 0.554 CB 1.546 75 residues pruned to eliminate duplicates Z: 41 42.795 2.254 0.895 0.515 0.975 0.525 CB 1.601 48 residues pruned to eliminate duplicates Z: 65 58.220 2.323 0.874 0.597 0.969 0.562 CB 1.574 65 residues pruned to eliminate duplicates Z: 76 55.792 2.277 0.911 0.567 0.907 0.493 CB 1.530 76 residues pruned to eliminate duplicates Z: 76 52.929 2.256 0.838 0.556 0.920 0.600 CB 1.517 76 residues pruned to eliminate duplicates Z: 74 56.087 2.301 0.906 0.581 0.904 0.562 CB 1.530 74 residues pruned to eliminate duplicates Z: 101 58.821 2.220 0.844 0.537 0.930 0.530 CB 1.489 101 residues pruned to eliminate duplicates Z: 30 40.745 2.283 1.105 0.531 0.931 0.517 CB 1.640 30 residues pruned to eliminate duplicates Z: 70 55.583 2.299 0.845 0.580 0.928 0.580 CB 1.575 70 residues pruned to eliminate duplicates Z: 70 55.762 2.293 0.932 0.567 0.913 0.594 CB 1.556 70 residues pruned to eliminate duplicates Z: 45 41.275 2.305 0.912 0.485 0.886 0.523 CB 1.616 45 residues pruned to eliminate duplicates Z: 88 58.376 2.299 0.901 0.575 0.897 0.609 CB 1.486 88 residues pruned to eliminate duplicates Z: 73 55.079 2.309 0.882 0.585 0.889 0.583 CB 1.548 73 residues pruned to eliminate duplicates Z: 75 58.042 2.280 0.975 0.573 0.905 0.608 CB 1.543 75 residues pruned to eliminate duplicates Z: 87 56.410 2.256 0.801 0.571 0.942 0.570 CB 1.484 87 residues pruned to eliminate duplicates Z: 91 56.803 2.227 0.833 0.560 0.933 0.556 CB 1.483 91 residues pruned to eliminate duplicates Z: 75 54.068 2.273 0.824 0.584 0.919 0.568 CB 1.521 75 residues pruned to eliminate duplicates Z: 75 56.411 2.309 0.845 0.567 0.946 0.622 CB 1.525 75 residues pruned to eliminate duplicates Z: 75 57.293 2.304 0.893 0.565 0.932 0.541 CB 1.537 75 residues pruned to eliminate duplicates Z: 68 64.156 2.326 1.008 0.585 1.000 0.687 CB 1.547 68 residues pruned to eliminate duplicates Z: 74 61.200 2.312 0.929 0.587 0.945 0.575 CB 1.563 74 residues pruned to eliminate duplicates Z: 65 61.101 2.321 0.951 0.614 0.953 0.594 CB 1.589 65 residues pruned to eliminate duplicates Z: 101 53.461 2.188 0.836 0.528 0.910 0.560 CB 1.423 101 residues pruned to eliminate duplicates Z: 40 36.196 2.180 0.952 0.514 0.949 0.487 CB 1.416 40 residues pruned to eliminate duplicates Z: 75 58.321 2.315 0.868 0.566 0.946 0.635 CB 1.554 75 residues pruned to eliminate duplicates Z: 101 57.068 2.220 0.843 0.557 0.880 0.620 CB 1.500 101 residues pruned to eliminate duplicates Z: 73 59.974 2.326 0.969 0.590 0.917 0.569 CB 1.545 73 residues pruned to eliminate duplicates Z: 66 58.933 2.327 0.897 0.586 0.969 0.508 CB 1.573 66 residues pruned to eliminate duplicates Z: 68 57.630 2.303 0.926 0.589 0.940 0.657 CB 1.549 68 residues pruned to eliminate duplicates Z: 48 43.280 2.266 0.911 0.482 0.915 0.532 CB 1.623 48 residues pruned to eliminate duplicates Z: 72 58.795 2.309 0.928 0.573 0.944 0.577 CB 1.548 72 residues pruned to eliminate duplicates Z: 68 54.262 2.328 0.804 0.573 0.940 0.642 CB 1.565 68 residues pruned to eliminate duplicates Z: 102 58.790 2.216 0.833 0.554 0.911 0.624 CB 1.501 102 residues pruned to eliminate duplicates Z: 89 55.379 2.234 0.850 0.566 0.909 0.591 CB 1.473 89 residues pruned to eliminate duplicates Z: 73 56.469 2.300 0.848 0.591 0.931 0.569 CB 1.542 73 residues pruned to eliminate duplicates Z: 73 56.918 2.316 0.905 0.570 0.931 0.597 CB 1.527 73 residues pruned to eliminate duplicates Z: 33 41.480 2.279 0.832 0.692 0.938 0.688 CB 1.572 33 residues pruned to eliminate duplicates Z: 60 44.064 2.190 0.706 0.605 0.932 0.712 CB 1.491 60 residues pruned to eliminate duplicates Z: 93 63.331 2.248 0.857 0.594 0.957 0.630 CB 1.511 93 residues pruned to eliminate duplicates Z: 71 57.475 2.299 0.846 0.576 0.957 0.657 CB 1.572 71 residues pruned to eliminate duplicates Z: 65 60.603 2.321 0.879 0.614 0.984 0.688 CB 1.584 65 residues pruned to eliminate duplicates Z: 35 43.131 2.302 0.924 0.666 0.971 0.706 CB 1.476 35 residues pruned to eliminate duplicates Z: 94 63.797 2.254 0.883 0.580 0.957 0.591 CB 1.508 105 residues pruned to eliminate duplicates Z: 13 27.845 2.248 1.248 0.745 0.833 0.583 CB 1.533 13 residues pruned to eliminate duplicates Z: 74 61.067 2.296 0.868 0.594 0.973 0.603 CB 1.566 74 residues pruned to eliminate duplicates Z: 33 42.598 2.319 0.880 0.658 0.969 0.656 CB 1.539 33 residues pruned to eliminate duplicates Z: 75 57.610 2.285 0.915 0.587 0.919 0.635 CB 1.533 75 residues pruned to eliminate duplicates Z: 61 44.008 2.193 0.850 0.579 0.917 0.583 CB 1.416 61 residues pruned to eliminate duplicates Z: 102 61.468 2.234 0.851 0.561 0.911 0.564 CB 1.531 102 residues pruned to eliminate duplicates Z: 81 57.044 2.272 0.904 0.558 0.950 0.562 CB 1.467 81 residues pruned to eliminate duplicates Z: 75 57.202 2.297 0.945 0.579 0.919 0.608 CB 1.501 75 residues pruned to eliminate duplicates Z: 65 57.384 2.292 0.943 0.574 0.953 0.594 CB 1.574 65 residues pruned to eliminate duplicates Z: 91 61.442 2.295 0.965 0.553 0.911 0.544 CB 1.497 91 residues pruned to eliminate duplicates Z: 74 61.925 2.307 0.945 0.604 0.932 0.548 CB 1.571 74 residues pruned to eliminate duplicates Z: 93 61.745 2.247 0.891 0.563 0.935 0.587 CB 1.524 93 residues pruned to eliminate duplicates Z: 66 62.047 2.330 1.029 0.591 0.938 0.646 CB 1.590 66 residues pruned to eliminate duplicates Z: 74 60.747 2.288 0.965 0.581 0.945 0.603 CB 1.547 74 residues pruned to eliminate duplicates Z: 59 43.022 2.172 0.854 0.598 0.897 0.603 CB 1.425 58 residues pruned to eliminate duplicates Z: 13 19.712 2.159 0.402 0.810 0.917 0.583 CB 1.565 13 residues pruned to eliminate duplicates Z: 77 54.715 2.267 0.905 0.567 0.921 0.539 CB 1.479 77 residues pruned to eliminate duplicates Z: 73 63.314 2.332 0.990 0.589 0.944 0.583 CB 1.564 73 residues pruned to eliminate duplicates Z: 73 53.739 2.277 0.894 0.586 0.875 0.472 CB 1.545 73 residues pruned to eliminate duplicates Z: 75 59.336 2.298 0.956 0.588 0.919 0.595 CB 1.536 75 residues pruned to eliminate duplicates Z: 48 34.002 2.158 0.743 0.558 0.894 0.617 CB 1.394 49 residues pruned to eliminate duplicates Z: 14 25.778 2.059 0.751 0.864 1.000 0.692 CB 1.453 14 residues pruned to eliminate duplicates Z: 100 61.469 2.239 0.858 0.579 0.909 0.626 CB 1.515 100 residues pruned to eliminate duplicates Z: 25 29.144 2.096 0.977 0.567 0.917 0.625 CB 1.468 25 residues pruned to eliminate duplicates Z: 6 7.705 1.742 0.575 0.598 1.000 0.400 CB 1.144 6 residues pruned to eliminate duplicates Z: 28 26.062 2.017 1.001 0.508 0.889 0.630 CB 1.387 28 residues pruned to eliminate duplicates Z: 25 28.114 2.102 0.895 0.584 0.917 0.708 CB 1.450 25 residues pruned to eliminate duplicates Z: 25 24.210 2.094 0.816 0.575 0.833 0.750 CB 1.451 25 residues pruned to eliminate duplicates Z: 99 63.365 2.263 0.906 0.562 0.939 0.653 CB 1.489 99 residues pruned to eliminate duplicates Z: 15 15.598 1.996 0.803 0.556 0.857 0.714 CB 1.279 15 residues pruned to eliminate duplicates Z: 95 58.848 2.220 0.853 0.575 0.926 0.574 CB 1.483 95 residues pruned to eliminate duplicates Z: 61 42.282 2.191 0.807 0.592 0.900 0.583 CB 1.403 61 residues pruned to eliminate duplicates Z: 24 27.191 2.093 0.854 0.577 0.913 0.652 CB 1.486 24 residues pruned to eliminate duplicates Z: 28 22.729 2.042 0.762 0.481 0.926 0.630 CB 1.339 28 residues pruned to eliminate duplicates Z: 26 29.763 2.066 1.064 0.544 0.920 0.680 CB 1.453 25 residues pruned to eliminate duplicates Z: 6 8.567 1.774 0.932 0.470 1.000 0.800 CA 1.153 6 residues pruned to eliminate duplicates Z: 106 61.007 2.240 0.895 0.540 0.886 0.600 CB 1.523 106 residues pruned to eliminate duplicates Z: 28 23.453 2.059 0.794 0.476 0.889 0.704 CB 1.409 28 residues pruned to eliminate duplicates Z: 61 46.913 2.171 0.928 0.580 0.933 0.683 CB 1.435 61 residues pruned to eliminate duplicates Z: 108 57.731 2.188 0.930 0.512 0.897 0.561 CB 1.456 108 residues pruned to eliminate duplicates Z: 30 24.666 1.990 0.870 0.485 0.966 0.621 CB 1.294 30 residues pruned to eliminate duplicates Z: 41 33.028 2.190 0.716 0.502 0.875 0.575 CB 1.584 41 residues pruned to eliminate duplicates Z: 33 34.004 2.232 0.689 0.606 0.969 0.656 CB 1.488 33 residues pruned to eliminate duplicates Z: 41 33.262 2.130 0.725 0.534 0.900 0.600 CB 1.539 41 residues pruned to eliminate duplicates Z: 30 37.736 2.226 0.685 0.653 1.000 0.517 CB 1.620 30 residues pruned to eliminate duplicates Z: 31 31.871 2.182 0.589 0.625 0.933 0.500 CB 1.598 31 residues pruned to eliminate duplicates Z: 23 35.290 2.239 0.807 0.798 0.909 0.727 CB 1.576 23 residues pruned to eliminate duplicates Z: 30 31.958 2.236 0.611 0.625 0.897 0.552 CB 1.632 30 residues pruned to eliminate duplicates Z: 36 30.303 2.137 0.631 0.579 0.886 0.714 CB 1.538 36 residues pruned to eliminate duplicates Z: 23 36.212 2.233 0.724 0.788 0.955 0.818 CB 1.631 23 residues pruned to eliminate duplicates Z: 40 35.194 2.163 0.718 0.624 0.923 0.667 CB 1.462 40 residues pruned to eliminate duplicates Z: 41 37.655 2.179 0.785 0.628 0.950 0.750 CB 1.428 41 residues pruned to eliminate duplicates Z: 40 31.715 2.143 0.623 0.552 0.897 0.667 CB 1.548 40 residues pruned to eliminate duplicates Z: 21 34.343 2.216 0.747 0.839 1.000 0.950 CB 1.482 21 residues pruned to eliminate duplicates Z: 29 33.075 2.218 0.507 0.627 1.000 0.714 CB 1.659 29 residues pruned to eliminate duplicates Z: 23 37.646 2.236 0.717 0.779 1.000 0.818 CB 1.634 23 residues pruned to eliminate duplicates Z: 31 34.723 2.223 0.627 0.585 0.967 0.667 CB 1.671 31 residues pruned to eliminate duplicates Z: 31 33.320 2.211 0.652 0.593 0.900 0.667 CB 1.693 31 residues pruned to eliminate duplicates Z: 24 38.061 2.248 0.687 0.738 1.000 0.826 CB 1.690 24 residues pruned to eliminate duplicates Z: 41 31.203 2.150 0.598 0.620 0.925 0.675 CB 1.385 41 residues pruned to eliminate duplicates Z: 31 34.795 2.205 0.631 0.601 0.967 0.733 CB 1.660 31 residues pruned to eliminate duplicates Z: 41 35.626 2.182 0.671 0.656 0.950 0.750 CB 1.407 41 residues pruned to eliminate duplicates Z: 32 29.146 2.194 0.522 0.594 0.903 0.710 CB 1.586 32 residues pruned to eliminate duplicates Z: 40 38.627 2.209 0.740 0.666 0.949 0.744 CB 1.455 40 residues pruned to eliminate duplicates Z: 30 34.376 2.241 0.553 0.640 0.966 0.759 CB 1.667 30 residues pruned to eliminate duplicates Z: 35 30.839 2.105 0.511 0.720 0.941 0.765 CB 1.448 35 residues pruned to eliminate duplicates Z: 22 35.473 2.255 0.595 0.793 1.000 0.810 CB 1.664 22 residues pruned to eliminate duplicates Z: 45 33.779 2.161 0.497 0.635 0.955 0.705 CB 1.453 45 residues pruned to eliminate duplicates Z: 34 37.244 2.209 0.542 0.838 0.970 0.697 CB 1.467 34 residues pruned to eliminate duplicates Z: 22 17.703 1.975 0.427 0.681 0.905 0.571 CB 1.283 22 residues pruned to eliminate duplicates Z: 37 39.904 2.179 0.653 0.773 0.972 0.722 CB 1.492 37 residues pruned to eliminate duplicates Z: 35 32.379 2.134 0.729 0.729 0.912 0.588 CB 1.343 35 residues pruned to eliminate duplicates Z: 53 36.808 2.195 0.543 0.588 0.942 0.635 CB 1.470 53 residues pruned to eliminate duplicates Z: 44 35.627 2.162 0.550 0.675 0.953 0.651 CB 1.448 44 residues pruned to eliminate duplicates Z: 20 12.969 1.970 0.372 0.566 0.895 0.474 CB 1.154 20 residues pruned to eliminate duplicates Z: 44 37.229 2.172 0.554 0.654 0.977 0.628 CB 1.493 44 residues pruned to eliminate duplicates Z: 35 37.299 2.183 0.676 0.806 0.912 0.706 CB 1.469 35 residues pruned to eliminate duplicates Z: 44 36.775 2.177 0.568 0.653 0.953 0.628 CB 1.494 44 residues pruned to eliminate duplicates Z: 45 33.263 2.100 0.508 0.674 0.955 0.614 CB 1.412 45 residues pruned to eliminate duplicates Z: 37 39.418 2.193 0.675 0.802 0.944 0.722 CB 1.455 37 residues pruned to eliminate duplicates Z: 33 25.895 2.036 0.572 0.700 0.906 0.594 CB 1.316 33 residues pruned to eliminate duplicates Z: 36 37.208 2.145 0.614 0.799 0.971 0.686 CB 1.440 36 residues pruned to eliminate duplicates Z: 48 39.381 2.177 0.565 0.679 0.979 0.745 CB 1.461 48 residues pruned to eliminate duplicates Z: 79 45.036 2.171 0.593 0.613 0.936 0.603 CB 1.416 79 residues pruned to eliminate duplicates Z: 64 35.865 2.111 0.532 0.546 0.937 0.571 CB 1.426 64 residues pruned to eliminate duplicates Z: 59 40.217 2.191 0.614 0.652 0.931 0.655 CB 1.392 59 residues pruned to eliminate duplicates Z: 65 41.391 2.171 0.669 0.624 0.922 0.688 CB 1.378 65 residues pruned to eliminate duplicates Z: 87 48.201 2.156 0.690 0.605 0.942 0.605 CB 1.370 87 residues pruned to eliminate duplicates Z: 52 33.304 2.146 0.610 0.612 0.902 0.588 CB 1.346 52 residues pruned to eliminate duplicates Z: 63 40.375 2.195 0.647 0.557 0.887 0.613 CB 1.512 63 residues pruned to eliminate duplicates Z: 46 39.074 2.181 0.644 0.705 0.956 0.733 CB 1.411 46 residues pruned to eliminate duplicates Z: 65 41.473 2.148 0.626 0.623 0.953 0.609 CB 1.388 65 residues pruned to eliminate duplicates Z: 74 45.610 2.156 0.625 0.646 0.932 0.616 CB 1.428 74 residues pruned to eliminate duplicates Z: 112 57.653 2.214 0.611 0.610 0.919 0.676 CB 1.505 112 residues pruned to eliminate duplicates Z: 87 47.645 2.188 0.644 0.578 0.895 0.581 CB 1.480 87 residues pruned to eliminate duplicates Z: 113 53.660 2.154 0.606 0.616 0.911 0.661 CB 1.442 113 residues pruned to eliminate duplicates Z: 75 45.218 2.179 0.521 0.635 0.959 0.608 CB 1.456 75 residues pruned to eliminate duplicates Z: 24 24.154 2.129 0.546 0.711 0.913 0.696 CB 1.384 24 residues pruned to eliminate duplicates Z: 23 25.262 2.156 0.502 0.685 0.955 0.727 CB 1.471 23 residues pruned to eliminate duplicates Z: 58 38.485 2.174 0.664 0.645 0.877 0.702 CB 1.403 58 residues pruned to eliminate duplicates Z: 72 47.964 2.173 0.580 0.672 0.958 0.634 CB 1.477 72 residues pruned to eliminate duplicates Z: 28 20.599 2.139 0.501 0.589 0.852 0.630 CB 1.331 28 residues pruned to eliminate duplicates Z: 73 41.971 2.117 0.584 0.643 0.931 0.653 CB 1.386 73 residues pruned to eliminate duplicates Z: 82 44.453 2.170 0.556 0.605 0.926 0.679 CB 1.430 82 residues pruned to eliminate duplicates Z: 72 44.644 2.155 0.614 0.671 0.930 0.648 CB 1.400 72 residues pruned to eliminate duplicates Z: 24 26.099 2.165 0.636 0.660 0.913 0.696 CB 1.451 24 residues pruned to eliminate duplicates Z: 113 54.854 2.154 0.619 0.620 0.920 0.679 CB 1.443 121 residues pruned to eliminate duplicates Z: 26 25.800 2.197 0.752 0.621 0.920 0.640 CB 1.300 26 residues pruned to eliminate duplicates Z: 69 46.083 2.172 0.689 0.673 0.926 0.632 CB 1.402 69 residues pruned to eliminate duplicates Z: 80 45.311 2.162 0.546 0.592 0.962 0.582 CB 1.452 80 residues pruned to eliminate duplicates Z: 105 49.904 2.132 0.574 0.638 0.913 0.654 CB 1.403 105 residues pruned to eliminate duplicates Z: 55 35.508 2.106 0.588 0.617 0.926 0.574 CB 1.397 55 residues pruned to eliminate duplicates Z: 58 35.238 2.109 0.624 0.610 0.895 0.614 CB 1.372 58 residues pruned to eliminate duplicates Z: 25 25.713 2.149 0.675 0.660 0.917 0.708 CB 1.371 25 residues pruned to eliminate duplicates Z: 25 25.708 2.158 0.740 0.642 0.875 0.667 CB 1.399 25 residues pruned to eliminate duplicates Z: 80 44.907 2.180 0.546 0.595 0.937 0.620 CB 1.462 80 residues pruned to eliminate duplicates Z: 18 23.097 2.161 0.591 0.762 0.882 0.588 CB 1.463 18 residues pruned to eliminate duplicates Z: 53 30.399 2.085 0.544 0.602 0.904 0.615 CB 1.315 53 residues pruned to eliminate duplicates Z: 33 29.478 2.149 0.596 0.676 0.938 0.719 CB 1.378 33 residues pruned to eliminate duplicates Z: 52 37.707 2.129 0.744 0.665 0.902 0.627 CB 1.353 52 residues pruned to eliminate duplicates Z: 33 28.312 2.083 1.037 0.573 0.844 0.500 CB 1.303 33 residues pruned to eliminate duplicates Z: 103 54.158 2.131 0.724 0.649 0.922 0.657 CB 1.378 103 residues pruned to eliminate duplicates Z: 34 32.507 2.145 0.776 0.648 0.939 0.697 CB 1.378 34 residues pruned to eliminate duplicates Z: 17 23.825 2.191 0.960 0.502 0.875 0.625 CB 1.581 17 residues pruned to eliminate duplicates Z: 38 33.213 2.153 0.733 0.636 0.892 0.757 CB 1.444 38 residues pruned to eliminate duplicates Z: 14 15.565 2.072 0.885 0.471 0.769 0.615 CA 1.480 14 residues pruned to eliminate duplicates Z: 38 29.833 2.121 0.743 0.606 0.919 0.703 CB 1.305 38 residues pruned to eliminate duplicates Z: 88 43.840 2.083 0.664 0.599 0.931 0.655 CB 1.325 88 residues pruned to eliminate duplicates Z: 34 26.978 2.035 0.768 0.572 0.909 0.667 CB 1.339 34 residues pruned to eliminate duplicates Z: 67 47.305 2.264 0.640 0.596 0.909 0.712 CB 1.574 67 residues pruned to eliminate duplicates Z: 35 19.739 1.979 0.505 0.535 0.853 0.676 CB 1.288 45 residues pruned to eliminate duplicates Z: 57 40.306 2.126 0.809 0.648 0.929 0.661 CB 1.313 57 residues pruned to eliminate duplicates Z: 53 33.592 2.084 0.695 0.626 0.885 0.673 CB 1.324 53 residues pruned to eliminate duplicates Z: 28 27.626 2.094 0.793 0.655 0.889 0.704 CB 1.379 28 residues pruned to eliminate duplicates Z: 23 26.509 2.069 0.825 0.695 0.909 0.727 CB 1.377 23 residues pruned to eliminate duplicates Z: 22 23.635 2.087 0.615 0.727 0.952 0.667 CB 1.310 22 residues pruned to eliminate duplicates Z: 24 23.538 2.043 0.530 0.698 0.957 0.652 CB 1.371 24 residues pruned to eliminate duplicates Z: 23 23.940 2.033 0.651 0.725 0.864 0.773 CA 1.437 23 residues pruned to eliminate duplicates Z: 38 29.669 2.069 0.784 0.613 0.892 0.730 CB 1.331 38 residues pruned to eliminate duplicates Z: 58 43.582 2.232 0.692 0.625 0.895 0.649 CB 1.518 58 residues pruned to eliminate duplicates Z: 22 30.921 2.134 0.889 0.747 0.952 0.810 CB 1.410 22 residues pruned to eliminate duplicates Z: 39 33.870 2.130 1.004 0.599 0.895 0.632 CB 1.309 39 residues pruned to eliminate duplicates Z: 38 31.856 2.060 0.999 0.601 0.919 0.622 CB 1.258 38 residues pruned to eliminate duplicates Z: 38 31.117 2.065 1.046 0.575 0.865 0.514 CB 1.302 38 residues pruned to eliminate duplicates Z: 24 23.511 2.012 0.934 0.658 0.913 0.696 CB 1.192 24 residues pruned to eliminate duplicates Z: 41 35.476 2.087 1.057 0.585 0.875 0.475 CB 1.376 41 residues pruned to eliminate duplicates Z: 41 29.993 2.053 0.841 0.597 0.875 0.575 CB 1.307 41 residues pruned to eliminate duplicates Z: 37 39.234 2.135 1.100 0.666 0.889 0.639 CB 1.407 37 residues pruned to eliminate duplicates Z: 28 31.359 2.066 0.879 0.734 0.926 0.593 CB 1.361 28 residues pruned to eliminate duplicates Z: 109 59.878 2.157 0.799 0.677 0.917 0.611 CB 1.376 109 residues pruned to eliminate duplicates Z: 68 52.343 2.238 0.919 0.591 0.896 0.627 CB 1.525 68 residues pruned to eliminate duplicates Z: 25 29.701 2.359 0.602 0.502 0.958 0.542 CB 1.671 25 residues pruned to eliminate duplicates Z: 30 43.196 2.459 0.721 0.546 1.000 0.552 CB 1.812 30 residues pruned to eliminate duplicates Z: 35 34.668 2.308 0.639 0.484 0.912 0.471 CA 1.753 35 residues pruned to eliminate duplicates Z: 65 55.327 2.279 0.913 0.607 0.922 0.719 CB 1.555 65 residues pruned to eliminate duplicates Z: 64 54.647 2.379 0.703 0.561 0.921 0.587 CB 1.740 64 residues pruned to eliminate duplicates Z: 30 41.686 2.436 0.683 0.549 1.000 0.552 CB 1.800 30 residues pruned to eliminate duplicates Z: 28 30.854 2.409 0.729 0.493 0.815 0.593 CB 1.762 28 residues pruned to eliminate duplicates Z: 45 39.829 2.213 0.816 0.611 0.886 0.455 CB 1.517 45 residues pruned to eliminate duplicates Z: 29 33.963 2.398 0.725 0.475 0.893 0.536 CB 1.782 29 residues pruned to eliminate duplicates Z: 26 28.755 2.397 0.690 0.519 0.800 0.560 CB 1.741 26 residues pruned to eliminate duplicates Z: 44 38.384 2.266 0.676 0.563 0.930 0.605 CB 1.559 44 residues pruned to eliminate duplicates Z: 30 45.751 2.451 0.871 0.554 0.966 0.690 CA 1.821 30 residues pruned to eliminate duplicates Z: 30 43.863 2.446 0.801 0.549 0.931 0.690 CB 1.893 30 residues pruned to eliminate duplicates Z: 51 53.820 2.279 0.986 0.625 0.900 0.660 CB 1.660 51 residues pruned to eliminate duplicates Z: 52 55.108 2.269 1.005 0.640 0.922 0.706 CB 1.614 52 residues pruned to eliminate duplicates Z: 62 56.231 2.264 0.983 0.613 0.934 0.656 CB 1.542 62 residues pruned to eliminate duplicates Z: 29 40.174 2.411 0.781 0.524 0.964 0.571 CB 1.791 29 residues pruned to eliminate duplicates Z: 51 43.644 2.381 0.621 0.604 0.860 0.680 CB 1.685 51 residues pruned to eliminate duplicates Z: 66 52.905 2.274 0.942 0.599 0.877 0.631 CB 1.542 66 residues pruned to eliminate duplicates Z: 29 46.900 2.404 0.806 0.597 1.000 0.786 CB 1.861 29 residues pruned to eliminate duplicates Z: 29 35.728 2.383 0.639 0.491 0.929 0.536 CA 1.879 29 residues pruned to eliminate duplicates Z: 27 36.743 2.437 0.747 0.522 0.923 0.615 CB 1.794 27 residues pruned to eliminate duplicates Z: 31 38.625 2.350 0.739 0.523 0.933 0.567 CA 1.807 31 residues pruned to eliminate duplicates Z: 67 55.991 2.266 0.903 0.623 0.909 0.682 CB 1.566 67 residues pruned to eliminate duplicates Z: 98 56.276 2.119 0.847 0.548 0.928 0.608 CB 1.502 119 residues pruned to eliminate duplicates Z: 35 38.288 2.292 0.761 0.543 0.941 0.618 CB 1.658 35 residues pruned to eliminate duplicates Z: 63 53.508 2.357 0.706 0.567 0.919 0.694 CB 1.722 63 residues pruned to eliminate duplicates Z: 62 52.485 2.376 0.623 0.574 0.934 0.689 CB 1.736 62 residues pruned to eliminate duplicates Z: 97 66.960 2.268 0.932 0.586 0.927 0.667 CB 1.549 97 residues pruned to eliminate duplicates Z: 17 38.607 2.448 1.017 0.754 0.938 0.750 CB 1.662 17 residues pruned to eliminate duplicates Z: 36 36.996 2.336 0.571 0.601 0.943 0.714 CB 1.643 36 residues pruned to eliminate duplicates Z: 26 30.165 2.253 0.769 0.656 0.840 0.720 CB 1.558 26 residues pruned to eliminate duplicates Z: 61 45.136 2.347 0.615 0.565 0.867 0.667 CB 1.665 61 residues pruned to eliminate duplicates Z: 37 36.108 2.292 0.598 0.602 0.917 0.722 CB 1.627 37 residues pruned to eliminate duplicates Z: 27 24.466 2.230 0.584 0.631 0.808 0.731 CB 1.488 27 residues pruned to eliminate duplicates Z: 38 34.219 2.277 0.605 0.576 0.919 0.595 CB 1.556 38 residues pruned to eliminate duplicates Z: 36 40.420 2.333 0.708 0.597 0.943 0.743 CB 1.659 36 residues pruned to eliminate duplicates Z: 36 38.652 2.350 0.663 0.581 0.943 0.714 CB 1.641 36 residues pruned to eliminate duplicates Z: 29 43.409 2.409 0.797 0.653 0.929 0.643 CB 1.769 29 residues pruned to eliminate duplicates Z: 36 38.441 2.356 0.632 0.589 0.914 0.743 CB 1.697 36 residues pruned to eliminate duplicates Z: 27 45.292 2.483 0.683 0.669 1.000 0.615 CB 1.819 27 residues pruned to eliminate duplicates Z: 36 39.648 2.342 0.645 0.611 0.943 0.629 CB 1.660 36 residues pruned to eliminate duplicates Z: 30 39.689 2.371 0.762 0.615 0.931 0.655 CB 1.699 30 residues pruned to eliminate duplicates Z: 16 18.212 2.173 0.545 0.446 0.933 0.533 CB 1.586 16 residues pruned to eliminate duplicates Z: 15 19.214 2.277 0.521 0.449 0.929 0.571 CB 1.682 15 residues pruned to eliminate duplicates Z: 23 33.862 2.404 0.691 0.569 0.955 0.591 CB 1.740 23 residues pruned to eliminate duplicates Z: 36 35.676 2.292 0.597 0.601 0.914 0.657 CB 1.636 36 residues pruned to eliminate duplicates Z: 36 35.779 2.320 0.592 0.577 0.914 0.657 CB 1.663 37 residues pruned to eliminate duplicates Z: 36 35.812 2.317 0.538 0.589 0.943 0.657 CB 1.653 36 residues pruned to eliminate duplicates Z: 25 44.168 2.437 0.735 0.662 1.000 0.792 CB 1.835 25 residues pruned to eliminate duplicates Z: 24 34.558 2.386 0.809 0.623 0.870 0.478 CB 1.709 24 residues pruned to eliminate duplicates Z: 16 16.213 2.227 0.459 0.447 0.867 0.467 CB 1.570 16 residues pruned to eliminate duplicates Z: 14 20.812 2.381 0.482 0.394 1.000 0.538 CB 1.830 13 residues pruned to eliminate duplicates Z: 6 5.307 1.887 1.542 0.243 0.600 0.400 CA 1.109 6 residues pruned to eliminate duplicates Z: 15 15.638 2.052 0.680 0.415 0.929 0.643 CB 1.427 15 residues pruned to eliminate duplicates Z: 15 17.462 2.048 0.747 0.486 0.857 0.786 CB 1.543 12 residues pruned to eliminate duplicates Z: 6 4.592 1.776 0.780 0.356 0.800 0.400 CB 0.949 6 residues pruned to eliminate duplicates Z: 27 31.626 2.399 0.875 0.430 0.808 0.462 CB 1.836 27 residues pruned to eliminate duplicates Z: 44 32.416 2.292 0.781 0.382 0.837 0.419 CB 1.640 44 residues pruned to eliminate duplicates Z: 21 30.002 2.447 0.746 0.454 0.900 0.450 CB 1.829 21 residues pruned to eliminate duplicates Z: 43 38.034 2.121 0.798 0.557 0.881 0.595 CB 1.653 193 residues pruned to eliminate duplicates Z: 8 11.999 1.979 0.491 0.564 1.000 0.714 CA 1.445 8 residues pruned to eliminate duplicates Z: 31 39.517 2.453 0.868 0.454 0.900 0.400 CB 1.834 31 residues pruned to eliminate duplicates Z: 31 39.383 2.488 0.837 0.436 0.933 0.433 CB 1.801 31 residues pruned to eliminate duplicates Z: 27 35.525 2.442 0.856 0.467 0.885 0.308 CB 1.797 27 residues pruned to eliminate duplicates Z: 33 38.604 2.434 0.800 0.436 0.938 0.500 CB 1.774 33 residues pruned to eliminate duplicates Z: 31 37.697 2.444 0.860 0.430 0.933 0.433 CB 1.745 41 residues pruned to eliminate duplicates Z: 35 37.774 2.292 0.754 0.452 0.941 0.500 CB 1.798 35 residues pruned to eliminate duplicates Z: 32 39.401 2.412 0.911 0.463 0.871 0.355 CB 1.830 32 residues pruned to eliminate duplicates Z: 21 29.227 2.360 0.721 0.439 0.950 0.400 CA 1.803 21 residues pruned to eliminate duplicates Z: 32 32.200 2.406 0.806 0.414 0.806 0.355 CB 1.807 32 residues pruned to eliminate duplicates Z: 28 41.567 2.538 1.001 0.441 0.889 0.444 CB 1.883 28 residues pruned to eliminate duplicates Z: 15 13.257 2.147 1.124 0.310 0.643 0.429 CB 1.493 15 residues pruned to eliminate duplicates Z: 13 16.295 2.286 0.894 0.264 0.917 0.167 CB 1.551 13 residues pruned to eliminate duplicates Z: 28 33.537 2.358 1.010 0.429 0.852 0.407 CB 1.721 28 residues pruned to eliminate duplicates Z: 16 23.592 2.322 1.176 0.377 0.800 0.333 CB 1.720 16 residues pruned to eliminate duplicates Z: 31 28.958 2.270 0.894 0.365 0.833 0.267 CB 1.707 31 residues pruned to eliminate duplicates Z: 14 13.812 2.241 0.724 0.280 0.846 0.231 CB 1.501 14 residues pruned to eliminate duplicates Z: 14 17.361 2.153 1.127 0.320 0.923 0.231 CB 1.389 14 residues pruned to eliminate duplicates Z: 32 26.904 2.358 1.019 0.350 0.742 0.452 CB 1.610 32 residues pruned to eliminate duplicates Z: 16 19.256 2.252 0.875 0.480 0.733 0.533 CB 1.639 16 residues pruned to eliminate duplicates Z: 15 18.284 2.108 0.440 0.641 1.000 0.571 CA 1.410 15 residues pruned to eliminate duplicates Z: 18 17.532 2.101 0.860 0.475 0.824 0.647 CB 1.356 18 residues pruned to eliminate duplicates Z: 18 18.358 2.169 0.858 0.552 0.765 0.647 CB 1.373 18 residues pruned to eliminate duplicates Z: 13 18.293 2.224 0.771 0.503 0.917 0.500 CB 1.458 Z: 6 3.066 1.652 0.315 0.153 0.800 0.400 CA 1.209 6 residues pruned to eliminate duplicates Z: 11 4.420 1.684 0.338 0.309 0.800 0.500 CB 0.958 8 residues pruned to eliminate duplicates Z: 18 25.552 2.216 0.768 0.689 0.941 0.647 CB 1.413 18 residues pruned to eliminate duplicates Z: 101 50.631 2.096 0.742 0.563 0.920 0.640 CB 1.418 164 residues pruned to eliminate duplicates Z: 88 51.813 2.166 0.800 0.552 0.920 0.644 CB 1.473 88 residues pruned to eliminate duplicates Z: 38 30.178 2.218 0.602 0.491 0.919 0.541 CB 1.534 38 residues pruned to eliminate duplicates Z: 81 51.316 2.205 0.865 0.554 0.913 0.588 CB 1.450 81 residues pruned to eliminate duplicates Z: 45 33.729 2.251 0.787 0.450 0.841 0.568 CB 1.581 61 residues pruned to eliminate duplicates Z: 67 51.701 2.258 0.864 0.585 0.939 0.591 CB 1.484 67 residues pruned to eliminate duplicates Z: 99 51.205 2.117 0.725 0.554 0.949 0.612 CB 1.416 99 residues pruned to eliminate duplicates Z: 98 52.331 2.136 0.741 0.562 0.918 0.649 CB 1.466 98 residues pruned to eliminate duplicates Z: 72 50.057 2.262 0.761 0.578 0.930 0.563 CB 1.489 72 residues pruned to eliminate duplicates Z: 28 22.192 2.163 0.730 0.498 0.778 0.593 CB 1.471 28 residues pruned to eliminate duplicates Z: 82 54.135 2.236 0.836 0.538 0.914 0.580 CB 1.545 82 residues pruned to eliminate duplicates Z: 75 50.330 2.217 0.795 0.562 0.932 0.595 CB 1.485 75 residues pruned to eliminate duplicates Z: 76 53.315 2.223 0.912 0.557 0.907 0.587 CB 1.511 76 residues pruned to eliminate duplicates Z: 98 52.929 2.147 0.771 0.563 0.907 0.598 CB 1.466 98 residues pruned to eliminate duplicates Z: 72 52.984 2.248 0.831 0.580 0.930 0.606 CB 1.521 72 residues pruned to eliminate duplicates Z: 100 54.101 2.134 0.749 0.565 0.929 0.646 CB 1.473 100 residues pruned to eliminate duplicates Z: 97 56.172 2.157 0.802 0.549 0.948 0.646 CB 1.483 97 residues pruned to eliminate duplicates Z: 94 52.419 2.136 0.754 0.547 0.957 0.624 CB 1.447 94 residues pruned to eliminate duplicates Z: 99 53.699 2.132 0.809 0.549 0.918 0.582 CB 1.459 99 residues pruned to eliminate duplicates Z: 73 52.427 2.254 0.848 0.568 0.917 0.611 CB 1.515 73 residues pruned to eliminate duplicates Z: 38 27.948 2.100 0.779 0.406 0.892 0.514 CB 1.522 38 residues pruned to eliminate duplicates Z: 100 55.487 2.127 0.778 0.556 0.939 0.646 CB 1.486 100 residues pruned to eliminate duplicates Z: 98 50.987 2.149 0.757 0.553 0.907 0.608 CB 1.435 98 residues pruned to eliminate duplicates Z: 73 51.394 2.256 0.781 0.584 0.917 0.611 CB 1.516 73 residues pruned to eliminate duplicates Z: 75 50.798 2.228 0.788 0.580 0.919 0.622 CB 1.494 75 residues pruned to eliminate duplicates Z: 109 54.125 2.146 0.743 0.567 0.907 0.639 CB 1.438 109 residues pruned to eliminate duplicates Z: 100 54.188 2.142 0.788 0.548 0.939 0.626 CB 1.445 100 residues pruned to eliminate duplicates Z: 67 53.818 2.275 0.849 0.615 0.939 0.561 CB 1.504 67 residues pruned to eliminate duplicates Z: 88 50.324 2.165 0.791 0.564 0.885 0.621 CB 1.477 88 residues pruned to eliminate duplicates Z: 78 49.185 2.181 0.753 0.579 0.909 0.610 CB 1.495 78 residues pruned to eliminate duplicates Z: 73 50.828 2.253 0.799 0.568 0.917 0.597 CB 1.509 73 residues pruned to eliminate duplicates Z: 98 49.527 2.120 0.754 0.561 0.907 0.608 CB 1.405 98 residues pruned to eliminate duplicates Z: 93 50.561 2.132 0.759 0.572 0.913 0.598 CB 1.436 93 residues pruned to eliminate duplicates Z: 72 53.989 2.252 0.897 0.610 0.901 0.620 CB 1.500 72 residues pruned to eliminate duplicates Z: 76 53.106 2.230 0.791 0.568 0.947 0.640 CB 1.519 76 residues pruned to eliminate duplicates Z: 76 52.287 2.225 0.864 0.566 0.947 0.627 CB 1.443 76 residues pruned to eliminate duplicates Z: 77 52.145 2.196 0.796 0.568 0.961 0.553 CB 1.479 77 residues pruned to eliminate duplicates Z: 51 35.503 2.057 0.765 0.576 0.900 0.680 CB 1.428 Z: 14 25.056 2.050 1.096 0.789 0.846 0.538 CB 1.483 16 residues pruned to eliminate duplicates Z: 13 30.661 2.230 1.109 0.766 0.917 0.500 CB 1.622 13 residues pruned to eliminate duplicates Z: 13 32.158 2.228 1.146 0.788 1.000 0.667 CB 1.507 14 residues pruned to eliminate duplicates Z: 16 35.401 2.260 1.000 0.823 0.933 0.600 CB 1.638 13 residues pruned to eliminate duplicates Z: 17 30.739 2.167 0.818 0.800 0.938 0.562 CB 1.600 17 residues pruned to eliminate duplicates Z: 75 51.915 2.224 0.852 0.565 0.919 0.608 CB 1.498 126 residues pruned to eliminate duplicates Z: 35 35.627 2.144 0.854 0.631 0.971 0.471 CB 1.400 Z: 6 2.976 1.728 0.107 0.191 0.800 0.400 CB 1.259 6 residues pruned to eliminate duplicates Z: 99 54.199 2.138 0.804 0.564 0.929 0.633 CB 1.437 134 residues pruned to eliminate duplicates Z: 66 37.829 2.002 0.808 0.565 0.908 0.569 CB 1.341 Z: 15 15.804 1.925 0.860 0.725 0.857 0.429 CB 1.124 15 residues pruned to eliminate duplicates Z: 99 54.532 2.140 0.788 0.553 0.939 0.633 CB 1.457 165 residues pruned to eliminate duplicates Z: 82 52.688 2.235 0.869 0.560 0.914 0.494 CB 1.447 82 residues pruned to eliminate duplicates Z: 89 54.832 2.158 0.856 0.573 0.943 0.568 CB 1.442 89 residues pruned to eliminate duplicates Z: 87 51.077 2.171 0.835 0.568 0.907 0.616 CB 1.428 87 residues pruned to eliminate duplicates Z: 50 34.479 2.039 0.813 0.568 0.918 0.612 CB 1.358 Z: 10 13.797 2.159 0.554 0.866 0.889 0.889 CB 1.129 10 residues pruned to eliminate duplicates Z: 107 66.308 2.287 0.887 0.541 0.915 0.566 CB 1.567 157 residues pruned to eliminate duplicates Z: 27 23.036 1.969 0.824 0.557 0.923 0.615 CB 1.289 Z: 12 21.662 2.169 0.995 0.860 0.909 0.818 CB 1.220 12 residues pruned to eliminate duplicates Z: 52 25.880 1.922 0.676 0.541 0.863 0.549 CB 1.252 28 residues pruned to eliminate duplicates Z: 13 20.402 2.097 1.063 0.887 0.917 0.667 CB 1.071 13 residues pruned to eliminate duplicates Z: 51 25.922 1.859 0.698 0.523 0.900 0.600 CB 1.261 51 residues pruned to eliminate duplicates Z: 16 13.818 2.001 0.563 0.691 0.933 0.600 CB 1.026 16 residues pruned to eliminate duplicates Z: 89 54.862 2.162 0.839 0.561 0.932 0.614 CB 1.488 140 residues pruned to eliminate duplicates Z: 133 66.553 2.214 0.794 0.536 0.932 0.598 CB 1.510 133 residues pruned to eliminate duplicates Z: 98 56.255 2.160 0.801 0.566 0.948 0.649 CB 1.452 98 residues pruned to eliminate duplicates Z: 112 52.386 2.110 0.824 0.539 0.874 0.550 CB 1.422 112 residues pruned to eliminate duplicates Z: 103 52.890 2.125 0.828 0.552 0.902 0.588 CB 1.421 103 residues pruned to eliminate duplicates Z: 28 13.668 1.759 0.585 0.448 0.852 0.593 CB 1.168 Z: 6 3.074 1.529 0.604 0.297 0.600 0.400 C 1.172 6 residues pruned to eliminate duplicates Z: 46 31.179 1.986 0.685 0.609 0.933 0.622 CB 1.342 28 residues pruned to eliminate duplicates 549 residues left after pruning, divided into chains as follows: A: 6 B: 7 C: 6 D: 7 E: 7 F: 8 G: 9 H: 16 I: 209 J: 16 K: 12 L: 200 M: 46 CC for partial structure against native data = 30.71 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.496, Connect. = 0.740 for dens.mod. cycle 1 = 0.300, Contrast = 0.574, Connect. = 0.768 for dens.mod. cycle 2 = 0.300, Contrast = 0.674, Connect. = 0.800 for dens.mod. cycle 3 = 0.300, Contrast = 0.687, Connect. = 0.804 for dens.mod. cycle 4 = 0.300, Contrast = 0.700, Connect. = 0.808 for dens.mod. cycle 5 = 0.300, Contrast = 0.707, Connect. = 0.810 for dens.mod. cycle 6 = 0.300, Contrast = 0.713, Connect. = 0.812 for dens.mod. cycle 7 = 0.300, Contrast = 0.717, Connect. = 0.814 for dens.mod. cycle 8 = 0.300, Contrast = 0.720, Connect. = 0.815 for dens.mod. cycle 9 = 0.300, Contrast = 0.722, Connect. = 0.816 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4614 peaks > 0.5 sigma used to seed fragment search Space for about 1045 unique residues taking solvent into account 1060 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 16 27.274 2.307 0.684 0.782 0.867 0.533 CA 1.632 B: 29 25.763 2.351 0.636 0.373 0.857 0.321 CB 1.692 C: 21 15.431 2.191 0.735 0.338 0.650 0.500 CB 1.666 15 residues pruned to eliminate duplicates D: 15 29.474 2.352 0.497 0.923 1.000 0.857 CB 1.572 E: 14 28.200 2.311 0.799 0.761 0.846 0.615 CA 1.764 14 residues pruned to eliminate duplicates F: 15 33.121 2.389 0.639 0.917 1.000 0.857 CB 1.595 15 residues pruned to eliminate duplicates G: 16 51.868 2.390 1.373 0.885 0.933 0.600 CA 1.827 H: 16 43.283 2.390 0.993 0.866 1.000 0.733 CB 1.718 16 residues pruned to eliminate duplicates I: 17 22.173 2.188 0.732 0.689 0.875 0.625 CB 1.406 17 residues pruned to eliminate duplicates J: 19 40.420 2.543 0.796 0.615 1.000 0.778 CB 1.871 10 residues pruned to eliminate duplicates K: 20 58.580 2.478 1.058 0.927 1.000 0.684 CB 1.847 L: 15 32.434 2.372 0.632 0.912 1.000 0.929 CB 1.586 15 residues pruned to eliminate duplicates M: 21 40.075 2.251 0.878 0.903 0.900 0.800 CB 1.678 N: 21 48.708 2.375 1.084 0.914 0.900 0.700 CB 1.729 21 residues pruned to eliminate duplicates O: 15 36.334 2.397 0.737 0.914 1.000 0.714 CB 1.650 15 residues pruned to eliminate duplicates P: 14 38.854 2.422 1.010 0.864 0.923 0.846 CB 1.758 14 residues pruned to eliminate duplicates Q: 16 28.079 2.219 0.659 0.796 1.000 0.667 CB 1.519 R: 18 22.140 2.204 0.663 0.750 0.882 0.588 CB 1.329 18 residues pruned to eliminate duplicates S: 15 24.198 2.264 0.541 0.864 0.929 0.857 CB 1.463 15 residues pruned to eliminate duplicates T: 37 34.562 2.272 0.733 0.518 0.889 0.722 CB 1.616 18 residues pruned to eliminate duplicates U: 22 32.427 2.222 0.687 0.886 0.905 0.810 CB 1.504 22 residues pruned to eliminate duplicates V: 18 24.356 2.096 0.885 0.666 0.824 0.529 CB 1.557 W: 16 28.062 2.101 0.478 0.904 1.000 0.667 CB 1.662 X: 20 20.427 2.374 0.640 0.406 0.789 0.316 CB 1.684 Y: 22 44.541 2.216 0.930 0.922 1.000 0.857 CB 1.598 21 residues pruned to eliminate duplicates Z: 11 9.082 2.048 0.920 0.295 0.700 0.200 CB 1.312 Z: 7 9.604 2.230 0.752 0.345 0.667 0.500 CA 1.782 7 residues pruned to eliminate duplicates Z: 14 33.353 2.195 0.873 0.859 0.923 0.769 CA 1.794 16 residues pruned to eliminate duplicates Z: 21 45.150 2.397 0.919 0.896 0.900 0.750 CB 1.747 21 residues pruned to eliminate duplicates Z: 30 31.660 2.121 0.679 0.674 0.897 0.690 CB 1.569 Z: 30 35.444 2.500 0.745 0.390 0.897 0.448 CB 1.890 35 residues pruned to eliminate duplicates Z: 16 24.122 2.069 0.254 0.935 1.000 0.867 CA 1.672 16 residues pruned to eliminate duplicates Z: 13 29.283 2.423 0.557 0.864 1.000 0.750 CA 1.643 13 residues pruned to eliminate duplicates Z: 84 52.160 2.299 0.799 0.534 0.880 0.542 CB 1.521 18 residues pruned to eliminate duplicates Z: 15 47.337 2.459 1.115 0.922 0.929 0.786 CB 1.842 15 residues pruned to eliminate duplicates Z: 84 59.162 2.333 0.859 0.558 0.928 0.542 CB 1.525 84 residues pruned to eliminate duplicates Z: 14 34.980 2.442 0.697 0.817 1.000 0.769 CA 1.778 13 residues pruned to eliminate duplicates Z: 14 19.564 2.269 0.548 0.764 0.769 0.462 CB 1.589 14 residues pruned to eliminate duplicates Z: 12 28.790 2.347 0.849 0.923 1.000 0.909 CB 1.405 Z: 25 31.130 2.447 0.612 0.507 0.917 0.708 CB 1.745 19 residues pruned to eliminate duplicates Z: 14 39.878 2.362 0.946 0.856 1.000 0.692 CA 1.775 14 residues pruned to eliminate duplicates Z: 17 27.945 2.054 0.463 0.920 1.000 0.625 CB 1.637 16 residues pruned to eliminate duplicates Z: 34 33.874 2.087 0.623 0.844 0.939 0.727 CB 1.379 22 residues pruned to eliminate duplicates Z: 14 35.073 2.509 0.491 0.909 1.000 1.000 CB 1.846 15 residues pruned to eliminate duplicates Z: 16 27.548 2.289 0.804 0.751 0.867 0.733 CB 1.588 15 residues pruned to eliminate duplicates Z: 13 19.939 2.227 0.345 0.822 0.917 0.667 CA 1.585 13 residues pruned to eliminate duplicates Z: 66 50.483 2.381 0.685 0.574 0.908 0.646 CB 1.600 30 residues pruned to eliminate duplicates Z: 19 36.182 2.352 0.670 0.816 1.000 0.778 CA 1.649 18 residues pruned to eliminate duplicates Z: 15 35.157 2.269 1.109 0.802 0.857 0.571 CA 1.759 15 residues pruned to eliminate duplicates Z: 14 42.653 2.406 1.109 0.908 1.000 0.923 CB 1.655 14 residues pruned to eliminate duplicates Z: 15 28.058 2.351 0.361 0.919 1.000 1.000 CB 1.651 15 residues pruned to eliminate duplicates Z: 15 53.651 2.482 1.362 0.915 1.000 0.786 CB 1.729 15 residues pruned to eliminate duplicates Z: 16 24.911 2.293 0.472 0.801 0.933 0.733 CB 1.569 17 residues pruned to eliminate duplicates Z: 18 23.833 1.930 0.500 0.881 0.941 0.882 CA 1.537 18 residues pruned to eliminate duplicates Z: 15 29.900 2.300 0.759 0.757 0.929 0.643 CA 1.692 15 residues pruned to eliminate duplicates Z: 14 41.682 2.523 0.800 0.920 1.000 0.769 CB 1.792 14 residues pruned to eliminate duplicates Z: 28 42.265 2.492 0.769 0.553 0.963 0.630 CB 1.820 28 residues pruned to eliminate duplicates Z: 15 31.623 2.372 0.601 0.927 1.000 0.929 CB 1.559 15 residues pruned to eliminate duplicates Z: 19 43.824 2.513 0.494 0.926 1.000 0.944 CA 1.930 19 residues pruned to eliminate duplicates Z: 15 42.598 2.298 1.170 0.950 1.000 0.929 CB 1.575 15 residues pruned to eliminate duplicates Z: 15 17.200 1.977 0.619 0.416 1.000 0.571 CB 1.569 Z: 13 12.896 1.921 1.045 0.488 0.750 0.417 CB 1.278 Z: 29 39.275 2.513 0.895 0.436 0.893 0.357 CB 1.865 30 residues pruned to eliminate duplicates Z: 14 18.852 2.181 0.656 0.470 0.923 0.769 CB 1.615 14 residues pruned to eliminate duplicates Z: 16 37.768 2.348 0.835 0.879 0.933 0.867 CA 1.759 16 residues pruned to eliminate duplicates Z: 16 26.288 2.072 0.415 0.902 1.000 0.800 CB 1.651 16 residues pruned to eliminate duplicates Z: 15 34.551 2.252 0.945 0.855 0.929 0.714 CA 1.675 15 residues pruned to eliminate duplicates Z: 15 36.262 2.323 0.881 0.858 1.000 0.857 CB 1.632 15 residues pruned to eliminate duplicates Z: 15 15.796 2.046 0.513 0.435 0.929 0.643 CB 1.571 15 residues pruned to eliminate duplicates Z: 21 51.410 2.418 0.837 0.892 1.000 0.650 CA 1.859 21 residues pruned to eliminate duplicates Z: 18 39.054 2.453 0.941 0.549 1.000 0.647 CB 1.897 16 residues pruned to eliminate duplicates Z: 37 53.163 2.430 0.568 0.859 0.972 0.778 CB 1.759 37 residues pruned to eliminate duplicates Z: 53 48.122 2.260 0.709 0.620 0.923 0.615 CB 1.672 54 residues pruned to eliminate duplicates Z: 13 6.541 1.740 0.580 0.427 0.667 0.500 CB 1.111 Z: 18 16.038 2.016 0.902 0.482 0.882 0.471 CB 1.171 18 residues pruned to eliminate duplicates Z: 17 26.824 2.051 0.503 0.927 0.938 0.938 CB 1.626 17 residues pruned to eliminate duplicates Z: 16 18.898 2.220 0.418 0.792 0.800 0.800 CB 1.500 16 residues pruned to eliminate duplicates Z: 25 36.387 2.422 0.905 0.527 0.875 0.708 CB 1.792 24 residues pruned to eliminate duplicates Z: 39 60.943 2.340 0.732 0.878 1.000 0.763 CB 1.770 39 residues pruned to eliminate duplicates Z: 26 26.487 2.361 0.616 0.380 0.960 0.520 CB 1.643 31 residues pruned to eliminate duplicates Z: 25 32.495 2.242 0.645 0.667 0.958 0.708 CB 1.608 27 residues pruned to eliminate duplicates Z: 32 38.883 2.399 0.752 0.543 0.903 0.613 CB 1.764 32 residues pruned to eliminate duplicates Z: 15 52.210 2.461 1.295 0.871 1.000 0.786 CB 1.801 15 residues pruned to eliminate duplicates Z: 38 59.047 2.372 0.724 0.878 1.000 0.676 CB 1.723 38 residues pruned to eliminate duplicates Z: 13 23.400 2.274 0.706 0.494 1.000 0.833 CB 1.752 13 residues pruned to eliminate duplicates Z: 16 26.409 2.184 0.502 0.936 0.933 0.800 CA 1.550 16 residues pruned to eliminate duplicates Z: 14 30.792 2.180 0.574 0.916 1.000 1.000 CB 1.758 14 residues pruned to eliminate duplicates Z: 16 39.503 2.366 0.890 0.895 0.933 0.867 CA 1.751 16 residues pruned to eliminate duplicates Z: 19 50.601 2.498 0.788 0.910 1.000 0.833 CB 1.894 19 residues pruned to eliminate duplicates Z: 21 41.647 2.288 0.876 0.916 0.950 0.750 CB 1.613 21 residues pruned to eliminate duplicates Z: 16 35.562 2.329 0.765 0.828 1.000 0.667 CB 1.682 16 residues pruned to eliminate duplicates Z: 33 40.371 2.477 0.777 0.469 0.906 0.500 CB 1.847 33 residues pruned to eliminate duplicates Z: 22 37.176 2.150 0.685 0.929 1.000 0.810 CB 1.567 22 residues pruned to eliminate duplicates Z: 14 24.583 2.042 0.821 0.801 0.923 0.615 CB 1.527 Z: 32 42.253 2.291 1.022 0.535 0.968 0.548 CB 1.635 32 residues pruned to eliminate duplicates Z: 32 25.991 2.168 0.605 0.493 0.839 0.581 CB 1.611 14 residues pruned to eliminate duplicates Z: 29 38.174 2.379 0.664 0.601 0.929 0.679 CB 1.781 29 residues pruned to eliminate duplicates Z: 13 13.184 1.930 0.705 0.921 1.000 0.750 CB 0.814 Z: 13 20.837 2.215 0.382 0.862 0.917 0.750 CB 1.573 13 residues pruned to eliminate duplicates Z: 13 40.662 2.573 0.818 0.917 1.000 0.917 CB 1.771 13 residues pruned to eliminate duplicates Z: 56 46.070 2.396 0.625 0.603 0.927 0.691 CB 1.559 56 residues pruned to eliminate duplicates Z: 16 47.796 2.419 1.214 0.882 0.933 0.800 CB 1.787 16 residues pruned to eliminate duplicates Z: 19 13.580 1.979 0.651 0.277 0.833 0.389 CB 1.515 43 residues pruned to eliminate duplicates Z: 34 38.046 2.094 0.673 0.886 0.970 0.758 CB 1.407 34 residues pruned to eliminate duplicates Z: 14 29.571 2.355 0.449 0.825 1.000 0.692 CA 1.813 14 residues pruned to eliminate duplicates Z: 10 15.361 2.028 0.760 0.610 0.889 0.778 CB 1.453 Z: 17 21.925 2.149 0.259 0.866 1.000 0.750 CB 1.482 17 residues pruned to eliminate duplicates Z: 22 42.089 2.214 0.932 0.936 0.952 0.667 CB 1.570 22 residues pruned to eliminate duplicates Z: 6 5.537 1.822 0.104 0.791 0.800 0.800 CA 1.192 6 residues pruned to eliminate duplicates Z: 40 25.860 2.134 0.511 0.485 0.872 0.564 CB 1.496 39 residues pruned to eliminate duplicates Z: 18 20.227 1.861 0.687 0.773 0.941 0.529 CA 1.304 Z: 16 31.526 2.111 0.677 0.918 1.000 0.667 CB 1.622 17 residues pruned to eliminate duplicates Z: 14 54.775 2.586 1.261 0.945 1.000 0.846 CB 1.798 14 residues pruned to eliminate duplicates Z: 27 41.730 2.389 0.778 0.667 0.962 0.654 CB 1.716 27 residues pruned to eliminate duplicates Z: 9 5.446 1.965 0.045 0.514 0.875 0.500 CB 1.057 Z: 15 26.290 2.132 0.684 0.775 1.000 0.500 CB 1.534 17 residues pruned to eliminate duplicates Z: 13 27.083 2.235 0.709 0.899 0.917 0.750 CB 1.597 13 residues pruned to eliminate duplicates Z: 15 28.893 2.357 0.379 0.933 1.000 0.929 CB 1.658 15 residues pruned to eliminate duplicates Z: 7 3.962 1.339 0.008 0.789 1.000 0.667 CB 0.930 7 residues pruned to eliminate duplicates Z: 16 28.771 2.262 0.607 0.822 1.000 0.600 CB 1.545 16 residues pruned to eliminate duplicates Z: 25 38.613 2.362 0.604 0.831 0.917 0.708 CA 1.705 25 residues pruned to eliminate duplicates Z: 29 31.371 2.176 0.628 0.597 0.964 0.679 CB 1.581 25 residues pruned to eliminate duplicates Z: 32 28.347 2.195 0.747 0.439 0.871 0.613 CB 1.624 19 residues pruned to eliminate duplicates Z: 12 20.389 2.263 0.387 0.734 1.000 0.727 CA 1.586 12 residues pruned to eliminate duplicates Z: 25 27.930 2.349 0.550 0.635 0.917 0.667 CB 1.506 25 residues pruned to eliminate duplicates Z: 21 33.195 2.226 0.690 0.896 0.900 0.850 CB 1.570 21 residues pruned to eliminate duplicates Z: 30 33.833 2.442 0.800 0.419 0.828 0.379 CB 1.880 27 residues pruned to eliminate duplicates Z: 13 13.572 2.127 0.384 0.407 0.917 0.500 CA 1.600 13 residues pruned to eliminate duplicates Z: 17 42.754 2.396 1.029 0.838 0.938 0.812 CB 1.753 17 residues pruned to eliminate duplicates Z: 31 28.402 2.188 0.597 0.496 0.933 0.533 CB 1.596 31 residues pruned to eliminate duplicates Z: 8 15.973 2.142 1.338 0.590 0.857 0.571 CB 1.290 Z: 21 17.864 2.103 0.806 0.345 0.750 0.400 CB 1.660 38 residues pruned to eliminate duplicates Z: 11 23.618 2.467 0.215 0.900 1.000 0.900 CB 1.781 11 residues pruned to eliminate duplicates Z: 17 21.321 1.986 0.842 0.766 0.812 0.625 CA 1.416 17 residues pruned to eliminate duplicates Z: 33 36.339 2.422 0.709 0.466 0.938 0.688 CB 1.713 32 residues pruned to eliminate duplicates Z: 38 53.813 2.420 0.644 0.875 0.919 0.730 CA 1.760 38 residues pruned to eliminate duplicates Z: 15 31.803 2.113 0.679 0.903 1.000 0.786 CB 1.708 15 residues pruned to eliminate duplicates Z: 16 32.611 2.070 0.772 0.898 1.000 0.600 CB 1.642 16 residues pruned to eliminate duplicates Z: 22 33.923 2.178 0.783 0.862 0.905 0.762 CB 1.546 22 residues pruned to eliminate duplicates Z: 14 21.495 2.252 0.434 0.777 0.923 0.769 CB 1.566 14 residues pruned to eliminate duplicates Z: 15 25.379 2.287 0.267 0.931 1.000 0.857 CB 1.636 15 residues pruned to eliminate duplicates Z: 14 13.905 1.960 0.446 0.500 1.000 0.692 CB 1.361 14 residues pruned to eliminate duplicates Z: 35 36.049 2.368 0.768 0.493 0.853 0.676 CB 1.743 35 residues pruned to eliminate duplicates Z: 13 28.010 2.471 0.503 0.566 1.000 0.583 CB 2.042 13 residues pruned to eliminate duplicates Z: 15 39.248 2.465 0.768 0.876 1.000 0.857 CA 1.749 15 residues pruned to eliminate duplicates Z: 16 24.034 2.071 0.851 0.788 0.867 0.733 CB 1.450 16 residues pruned to eliminate duplicates Z: 16 25.631 2.163 0.418 0.899 1.000 0.867 CB 1.542 16 residues pruned to eliminate duplicates Z: 31 27.561 2.323 0.727 0.382 0.900 0.600 CB 1.580 31 residues pruned to eliminate duplicates Z: 20 47.601 2.386 0.719 0.921 1.000 0.842 CA 1.874 20 residues pruned to eliminate duplicates Z: 57 33.594 1.980 0.711 0.663 0.929 0.607 CB 1.227 8 residues pruned to eliminate duplicates Z: 15 22.479 2.020 0.725 0.781 0.929 0.714 CB 1.449 15 residues pruned to eliminate duplicates Z: 27 27.675 2.059 0.956 0.514 0.923 0.654 CB 1.439 Z: 13 14.904 2.049 0.552 0.500 1.000 0.750 CB 1.353 13 residues pruned to eliminate duplicates Z: 37 52.130 2.425 0.586 0.860 0.972 0.611 CB 1.708 37 residues pruned to eliminate duplicates Z: 16 30.081 2.311 0.717 0.815 1.000 0.533 CB 1.488 16 residues pruned to eliminate duplicates Z: 17 13.033 2.059 0.329 0.511 0.938 0.688 CB 1.256 Z: 29 23.659 2.049 0.879 0.431 0.857 0.607 CB 1.455 27 residues pruned to eliminate duplicates Z: 29 27.265 2.055 0.877 0.507 0.929 0.607 CB 1.429 29 residues pruned to eliminate duplicates Z: 15 35.344 2.305 0.842 0.861 1.000 0.714 CB 1.635 15 residues pruned to eliminate duplicates Z: 27 26.310 2.078 0.827 0.506 0.885 0.615 CB 1.527 27 residues pruned to eliminate duplicates Z: 94 65.484 2.274 0.929 0.573 0.946 0.656 CB 1.524 95 residues pruned to eliminate duplicates Z: 21 41.668 2.445 0.570 0.887 0.950 0.750 CA 1.842 21 residues pruned to eliminate duplicates Z: 15 38.251 2.393 0.788 0.929 1.000 0.929 CB 1.671 15 residues pruned to eliminate duplicates Z: 93 55.292 2.238 0.914 0.523 0.891 0.522 CB 1.476 93 residues pruned to eliminate duplicates Z: 18 24.194 1.973 0.367 0.874 1.000 0.765 CB 1.584 Z: 47 22.693 2.025 0.595 0.392 0.826 0.543 CB 1.406 47 residues pruned to eliminate duplicates Z: 16 26.405 2.179 0.562 0.864 1.000 0.733 CB 1.469 16 residues pruned to eliminate duplicates Z: 21 47.481 2.333 0.897 0.916 1.000 0.850 CB 1.694 21 residues pruned to eliminate duplicates Z: 15 15.588 2.138 0.497 0.526 0.857 0.500 CB 1.480 14 residues pruned to eliminate duplicates Z: 14 34.007 2.357 0.772 0.846 1.000 0.769 CB 1.678 14 residues pruned to eliminate duplicates Z: 15 28.997 2.161 0.796 0.892 1.000 0.857 CA 1.434 18 residues pruned to eliminate duplicates Z: 30 25.418 2.045 0.808 0.498 0.931 0.621 CB 1.373 30 residues pruned to eliminate duplicates Z: 30 38.528 2.467 0.696 0.548 0.931 0.586 CB 1.754 30 residues pruned to eliminate duplicates Z: 13 14.896 2.155 0.410 0.772 0.833 0.583 CB 1.335 13 residues pruned to eliminate duplicates Z: 101 48.439 2.079 0.755 0.546 0.910 0.540 CB 1.395 55 residues pruned to eliminate duplicates Z: 31 25.839 2.022 0.745 0.467 0.967 0.700 CB 1.430 31 residues pruned to eliminate duplicates Z: 25 40.980 2.323 0.793 0.841 0.917 0.792 CB 1.634 25 residues pruned to eliminate duplicates Z: 14 36.126 2.335 0.853 0.843 1.000 0.692 CA 1.725 14 residues pruned to eliminate duplicates Z: 8 11.555 2.160 0.415 0.692 0.857 0.714 CB 1.398 8 residues pruned to eliminate duplicates Z: 16 21.788 2.026 0.825 0.779 0.867 0.600 CB 1.374 16 residues pruned to eliminate duplicates Z: 19 15.173 1.981 0.625 0.448 0.833 0.556 CB 1.406 21 residues pruned to eliminate duplicates Z: 14 33.708 2.354 0.760 0.859 1.000 0.692 CB 1.661 14 residues pruned to eliminate duplicates Z: 24 36.653 2.149 0.961 0.717 0.957 0.696 CB 1.558 25 residues pruned to eliminate duplicates Z: 32 40.257 2.463 0.922 0.446 0.903 0.484 CB 1.787 33 residues pruned to eliminate duplicates Z: 83 55.164 2.348 0.546 0.599 0.963 0.634 CB 1.585 83 residues pruned to eliminate duplicates Z: 14 35.250 2.352 0.996 0.772 1.000 0.692 CB 1.637 14 residues pruned to eliminate duplicates Z: 12 28.735 2.319 0.656 0.819 1.000 0.545 CA 1.710 12 residues pruned to eliminate duplicates Z: 35 32.599 2.108 0.913 0.527 0.912 0.618 CB 1.480 35 residues pruned to eliminate duplicates Z: 15 23.916 2.281 0.560 0.733 0.857 0.643 CA 1.700 15 residues pruned to eliminate duplicates Z: 13 24.101 2.235 0.641 0.864 0.833 0.583 CB 1.669 13 residues pruned to eliminate duplicates Z: 27 44.660 2.403 0.931 0.639 0.923 0.692 CB 1.795 27 residues pruned to eliminate duplicates Z: 12 23.737 2.479 0.552 0.609 0.909 0.545 CB 1.844 12 residues pruned to eliminate duplicates Z: 15 23.164 2.049 0.823 0.894 0.929 0.857 CB 1.281 15 residues pruned to eliminate duplicates Z: 18 19.211 2.163 0.886 0.482 0.765 0.588 CB 1.521 36 residues pruned to eliminate duplicates Z: 8 21.418 2.313 0.976 0.643 1.000 0.571 CA 1.549 8 residues pruned to eliminate duplicates Z: 27 21.790 1.905 0.560 0.574 0.962 0.615 CB 1.392 27 residues pruned to eliminate duplicates Z: 17 15.792 2.120 0.817 0.326 0.875 0.688 CB 1.417 17 residues pruned to eliminate duplicates Z: 16 28.280 2.191 0.547 0.806 1.000 0.800 CA 1.649 16 residues pruned to eliminate duplicates Z: 17 22.838 2.032 0.231 0.943 1.000 0.875 CB 1.582 Z: 30 21.732 1.959 0.824 0.488 0.793 0.552 CB 1.442 30 residues pruned to eliminate duplicates Z: 19 53.236 2.445 0.981 0.923 1.000 0.833 CB 1.822 19 residues pruned to eliminate duplicates Z: 17 41.588 2.315 1.044 0.864 0.938 0.812 CB 1.717 17 residues pruned to eliminate duplicates Z: 17 25.215 2.094 0.424 0.903 1.000 0.938 CB 1.507 17 residues pruned to eliminate duplicates Z: 32 21.998 1.942 0.587 0.671 0.871 0.710 CB 1.257 32 residues pruned to eliminate duplicates Z: 16 37.013 2.372 0.710 0.864 1.000 0.867 CB 1.727 16 residues pruned to eliminate duplicates Z: 13 20.608 2.125 0.576 0.845 0.917 0.667 CB 1.441 13 residues pruned to eliminate duplicates Z: 22 28.340 2.338 0.400 0.795 0.952 0.667 CB 1.532 22 residues pruned to eliminate duplicates Z: 16 34.529 2.187 0.863 0.862 1.000 0.733 CA 1.607 16 residues pruned to eliminate duplicates Z: 14 33.580 2.372 0.657 0.814 1.000 0.692 CA 1.803 14 residues pruned to eliminate duplicates Z: 17 28.271 1.994 0.565 0.920 1.000 0.812 CB 1.595 17 residues pruned to eliminate duplicates Z: 12 26.599 2.217 0.914 0.871 0.818 0.818 CB 1.685 12 residues pruned to eliminate duplicates Z: 7 7.591 1.643 0.416 0.602 0.833 0.333 O 1.451 7 residues pruned to eliminate duplicates Z: 85 57.010 2.348 0.578 0.592 0.929 0.619 CB 1.656 85 residues pruned to eliminate duplicates Z: 23 21.055 1.927 0.552 0.664 0.864 0.364 CB 1.493 23 residues pruned to eliminate duplicates Z: 16 27.831 2.276 0.820 0.817 0.867 0.533 CB 1.521 16 residues pruned to eliminate duplicates Z: 16 16.501 2.014 0.704 0.493 0.867 0.667 CB 1.442 15 residues pruned to eliminate duplicates Z: 6 6.404 1.763 0.179 0.719 1.000 0.600 CA 1.130 6 residues pruned to eliminate duplicates Z: 15 31.201 2.124 0.904 0.892 1.000 0.357 CB 1.481 15 residues pruned to eliminate duplicates Z: 7 9.018 1.999 0.716 0.369 0.833 0.167 CB 1.482 7 residues pruned to eliminate duplicates Z: 41 40.626 2.280 0.803 0.564 0.900 0.600 CB 1.632 48 residues pruned to eliminate duplicates Z: 33 39.529 2.371 0.982 0.505 0.844 0.656 CB 1.754 33 residues pruned to eliminate duplicates Z: 27 18.441 2.129 0.632 0.333 0.846 0.385 CB 1.477 27 residues pruned to eliminate duplicates Z: 32 29.273 2.313 0.664 0.417 0.935 0.452 CB 1.593 34 residues pruned to eliminate duplicates Z: 21 48.455 2.292 0.970 0.908 1.000 0.750 CB 1.705 34 residues pruned to eliminate duplicates Z: 13 25.699 2.188 0.725 0.795 1.000 0.750 CA 1.518 13 residues pruned to eliminate duplicates Z: 27 28.122 1.975 0.925 0.680 0.885 0.500 CB 1.390 44 residues pruned to eliminate duplicates Z: 12 23.345 2.233 0.692 0.795 0.909 0.818 CB 1.583 12 residues pruned to eliminate duplicates Z: 14 22.280 2.149 0.615 0.754 0.923 0.846 CB 1.539 14 residues pruned to eliminate duplicates Z: 15 30.977 2.096 0.935 0.821 1.000 0.643 CB 1.546 15 residues pruned to eliminate duplicates Z: 11 18.179 2.042 0.372 0.888 1.000 0.900 CB 1.478 Z: 60 30.763 2.090 0.740 0.391 0.831 0.458 CB 1.488 60 residues pruned to eliminate duplicates Z: 15 29.340 2.313 0.630 0.844 1.000 0.571 CA 1.548 15 residues pruned to eliminate duplicates Z: 15 11.122 2.028 0.286 0.573 0.929 0.714 CB 1.144 14 residues pruned to eliminate duplicates Z: 17 26.877 2.040 0.437 0.923 1.000 0.938 CB 1.611 11 residues pruned to eliminate duplicates Z: 18 29.436 2.288 0.761 0.899 0.765 0.647 CB 1.657 18 residues pruned to eliminate duplicates Z: 28 31.612 2.393 0.846 0.456 0.852 0.519 CB 1.691 28 residues pruned to eliminate duplicates Z: 21 37.668 2.246 0.727 0.871 1.000 0.800 CB 1.584 21 residues pruned to eliminate duplicates Z: 51 31.497 2.069 0.755 0.533 0.860 0.520 CB 1.381 68 residues pruned to eliminate duplicates Z: 112 49.242 2.085 0.764 0.517 0.892 0.505 CB 1.401 112 residues pruned to eliminate duplicates Z: 13 24.756 2.183 0.694 0.886 0.833 0.833 CA 1.673 13 residues pruned to eliminate duplicates Z: 59 30.006 2.017 0.707 0.535 0.897 0.517 CB 1.233 49 residues pruned to eliminate duplicates Z: 55 41.169 2.113 0.888 0.606 0.852 0.556 CB 1.491 55 residues pruned to eliminate duplicates Z: 23 27.332 2.140 0.654 0.609 0.955 0.682 CB 1.555 23 residues pruned to eliminate duplicates Z: 15 22.848 2.046 0.755 0.785 0.929 0.714 CB 1.425 15 residues pruned to eliminate duplicates Z: 6 10.102 1.957 0.435 0.797 1.000 0.400 CA 1.241 6 residues pruned to eliminate duplicates Z: 36 47.010 2.339 0.687 0.860 0.886 0.629 CB 1.672 36 residues pruned to eliminate duplicates Z: 13 23.681 2.233 0.363 0.875 1.000 0.750 CA 1.633 13 residues pruned to eliminate duplicates Z: 19 25.751 2.381 0.829 0.426 0.833 0.444 CA 1.805 19 residues pruned to eliminate duplicates Z: 14 26.310 2.186 0.504 0.867 1.000 0.846 CA 1.623 14 residues pruned to eliminate duplicates Z: 25 21.864 1.864 0.769 0.756 0.875 0.625 CB 1.232 Z: 8 26.964 2.410 0.751 0.918 1.000 1.000 CB 1.704 8 residues pruned to eliminate duplicates Z: 47 41.366 2.218 0.860 0.565 0.957 0.609 CB 1.451 47 residues pruned to eliminate duplicates Z: 14 32.012 2.476 0.608 0.925 1.000 1.000 CB 1.565 14 residues pruned to eliminate duplicates Z: 17 22.820 2.086 0.692 0.783 0.938 0.625 CA 1.344 14 residues pruned to eliminate duplicates Z: 29 44.693 2.368 0.891 0.645 0.964 0.679 CB 1.708 29 residues pruned to eliminate duplicates Z: 22 34.888 2.219 0.685 0.891 0.952 0.762 CB 1.537 22 residues pruned to eliminate duplicates Z: 17 16.613 1.996 0.004 0.913 1.000 0.875 CA 1.467 17 residues pruned to eliminate duplicates Z: 24 39.190 2.391 0.630 0.687 1.000 0.696 CB 1.766 24 residues pruned to eliminate duplicates Z: 6 10.561 1.746 0.702 0.787 1.000 0.800 C 1.235 6 residues pruned to eliminate duplicates Z: 15 19.453 2.111 0.857 0.572 0.786 0.643 CB 1.575 15 residues pruned to eliminate duplicates Z: 8 4.491 1.824 0.148 0.392 0.714 0.286 CB 1.273 8 residues pruned to eliminate duplicates Z: 16 9.467 1.762 0.209 0.806 0.933 0.733 CB 0.941 Z: 81 52.965 2.310 0.650 0.579 0.925 0.538 CB 1.556 81 residues pruned to eliminate duplicates Z: 14 31.753 2.360 0.706 0.845 0.923 0.538 CA 1.762 14 residues pruned to eliminate duplicates Z: 33 35.799 2.210 0.854 0.604 0.938 0.594 CB 1.492 33 residues pruned to eliminate duplicates Z: 12 7.455 1.587 0.596 0.450 0.909 0.636 CB 1.028 12 residues pruned to eliminate duplicates Z: 27 19.546 1.913 0.735 0.636 0.769 0.423 CB 1.323 27 residues pruned to eliminate duplicates Z: 6 3.687 1.705 0.389 0.574 1.000 0.600 CB 0.648 6 residues pruned to eliminate duplicates Z: 43 51.509 2.370 0.627 0.782 0.952 0.762 CB 1.688 43 residues pruned to eliminate duplicates Z: 9 12.580 1.889 0.428 0.708 1.000 0.625 CA 1.365 9 residues pruned to eliminate duplicates Z: 16 31.210 2.027 0.896 0.947 1.000 0.400 CB 1.449 25 residues pruned to eliminate duplicates Z: 40 25.684 1.966 0.547 0.618 0.949 0.744 CB 1.275 40 residues pruned to eliminate duplicates Z: 20 51.586 2.429 0.872 0.920 1.000 0.789 CA 1.833 20 residues pruned to eliminate duplicates Z: 13 19.250 2.000 0.513 0.937 1.000 0.917 CB 1.278 13 residues pruned to eliminate duplicates Z: 17 33.865 2.038 0.915 0.916 1.000 0.625 CB 1.532 16 residues pruned to eliminate duplicates Z: 17 29.605 2.043 0.646 0.916 1.000 0.875 CB 1.554 17 residues pruned to eliminate duplicates Z: 12 16.056 2.291 0.311 0.803 0.818 0.636 CB 1.512 12 residues pruned to eliminate duplicates Z: 19 29.253 2.459 0.724 0.486 0.889 0.556 CB 1.856 19 residues pruned to eliminate duplicates Z: 19 40.414 2.346 0.911 0.927 0.944 0.778 CB 1.577 19 residues pruned to eliminate duplicates Z: 32 24.552 2.274 0.674 0.504 0.839 0.484 CB 1.375 32 residues pruned to eliminate duplicates Z: 14 17.163 1.903 0.779 0.809 0.846 0.692 CB 1.269 14 residues pruned to eliminate duplicates Z: 13 30.742 2.341 1.071 0.789 0.833 0.583 CB 1.704 13 residues pruned to eliminate duplicates Z: 31 16.469 2.128 0.558 0.379 0.733 0.400 CB 1.406 31 residues pruned to eliminate duplicates Z: 8 10.421 2.036 0.714 0.483 0.714 0.571 CB 1.607 8 residues pruned to eliminate duplicates Z: 18 15.711 1.933 0.261 0.858 0.882 0.706 CA 1.304 18 residues pruned to eliminate duplicates Z: 17 24.308 2.020 0.366 0.898 1.000 0.875 CB 1.575 17 residues pruned to eliminate duplicates Z: 15 38.433 2.435 0.787 0.932 1.000 0.786 CB 1.649 15 residues pruned to eliminate duplicates Z: 14 18.748 2.151 0.635 0.497 0.923 0.769 CB 1.606 Z: 35 32.139 2.108 0.732 0.599 0.941 0.706 CB 1.459 33 residues pruned to eliminate duplicates Z: 10 11.280 1.789 0.811 0.590 0.889 0.556 CB 1.198 10 residues pruned to eliminate duplicates Z: 15 16.168 1.868 0.416 0.933 1.000 0.929 CB 1.140 Z: 112 72.756 2.362 0.779 0.593 0.919 0.676 CB 1.636 112 residues pruned to eliminate duplicates Z: 16 29.967 2.219 0.719 0.850 1.000 0.533 CB 1.502 16 residues pruned to eliminate duplicates Z: 16 59.082 2.356 1.432 0.933 1.000 0.733 CA 1.858 16 residues pruned to eliminate duplicates Z: 16 24.192 2.242 0.543 0.757 0.933 0.467 CB 1.539 16 residues pruned to eliminate duplicates Z: 16 22.472 2.044 0.269 0.924 1.000 0.933 CB 1.572 16 residues pruned to eliminate duplicates Z: 13 16.379 1.973 1.007 0.909 0.917 0.667 CB 0.924 13 residues pruned to eliminate duplicates Z: 24 27.662 2.263 0.798 0.423 0.913 0.522 CA 1.682 24 residues pruned to eliminate duplicates Z: 50 37.562 2.111 0.723 0.559 0.898 0.592 CB 1.552 21 residues pruned to eliminate duplicates Z: 15 17.214 1.848 0.464 0.918 1.000 0.929 CB 1.199 15 residues pruned to eliminate duplicates Z: 10 4.197 1.926 -0.242 0.532 0.889 0.556 CB 1.044 Z: 6 8.374 1.837 0.500 0.650 0.800 0.400 N 1.477 6 residues pruned to eliminate duplicates Z: 21 38.583 2.250 0.736 0.908 0.950 0.750 CB 1.651 21 residues pruned to eliminate duplicates Z: 36 32.209 2.050 0.552 0.852 0.943 0.686 CB 1.343 52 residues pruned to eliminate duplicates Z: 12 16.338 2.048 0.453 0.797 0.909 0.727 CB 1.404 12 residues pruned to eliminate duplicates Z: 103 58.984 2.239 0.827 0.557 0.892 0.588 CB 1.514 103 residues pruned to eliminate duplicates Z: 18 24.709 1.823 0.883 0.933 1.000 0.647 CB 1.219 18 residues pruned to eliminate duplicates Z: 44 23.450 1.947 0.507 0.609 0.884 0.698 CB 1.244 44 residues pruned to eliminate duplicates Z: 13 20.315 2.277 0.604 0.430 1.000 0.750 CB 1.728 14 residues pruned to eliminate duplicates Z: 36 28.730 2.070 0.660 0.614 0.914 0.600 CB 1.388 35 residues pruned to eliminate duplicates Z: 38 47.925 2.353 0.563 0.858 0.919 0.730 CB 1.717 38 residues pruned to eliminate duplicates Z: 15 26.322 2.343 0.704 0.885 0.857 0.786 CB 1.485 15 residues pruned to eliminate duplicates Z: 7 6.006 1.707 -0.137 0.839 1.000 0.833 CB 1.242 Z: 9 7.519 1.929 0.394 0.309 1.000 0.500 CB 1.223 9 residues pruned to eliminate duplicates Z: 8 6.600 1.773 0.402 0.263 0.857 0.571 C 1.535 Z: 36 27.603 2.182 0.722 0.528 0.886 0.514 CB 1.364 34 residues pruned to eliminate duplicates Z: 8 7.712 1.693 0.101 0.722 1.000 0.714 CB 1.280 Z: 12 10.812 1.813 0.552 0.493 0.909 0.545 CB 1.284 12 residues pruned to eliminate duplicates Z: 17 21.363 2.119 0.762 0.625 0.938 0.875 CB 1.357 10 residues pruned to eliminate duplicates Z: 114 67.806 2.268 0.843 0.555 0.947 0.646 CB 1.527 115 residues pruned to eliminate duplicates Z: 34 26.792 1.985 0.730 0.689 0.909 0.485 CB 1.256 35 residues pruned to eliminate duplicates Z: 16 27.290 2.300 0.774 0.571 0.933 0.667 CB 1.728 16 residues pruned to eliminate duplicates Z: 13 20.375 2.212 0.494 0.848 0.833 0.750 CA 1.584 13 residues pruned to eliminate duplicates Z: 10 6.960 2.115 0.399 0.179 0.889 0.444 CB 1.299 10 residues pruned to eliminate duplicates Z: 19 22.086 1.773 0.618 0.922 1.000 0.944 CB 1.276 19 residues pruned to eliminate duplicates Z: 8 8.550 1.962 0.799 0.468 0.714 0.571 CB 1.324 8 residues pruned to eliminate duplicates Z: 15 16.895 2.051 0.501 0.477 0.929 0.571 CB 1.617 14 residues pruned to eliminate duplicates Z: 6 5.611 1.647 0.686 0.439 0.800 0.600 CB 1.202 Z: 13 19.656 1.983 0.584 0.931 1.000 0.833 CB 1.263 13 residues pruned to eliminate duplicates Z: 22 35.281 2.217 0.899 0.848 0.905 0.571 CB 1.499 22 residues pruned to eliminate duplicates Z: 18 30.546 2.008 0.702 0.918 1.000 0.882 CB 1.529 18 residues pruned to eliminate duplicates Z: 14 25.545 2.397 0.222 0.913 1.000 1.000 CB 1.712 14 residues pruned to eliminate duplicates Z: 15 17.890 2.118 0.573 0.492 0.857 0.714 CB 1.689 15 residues pruned to eliminate duplicates Z: 15 15.369 1.822 0.419 0.917 1.000 0.929 CB 1.121 15 residues pruned to eliminate duplicates Z: 23 17.828 1.960 0.557 0.685 0.909 0.636 CB 1.156 23 residues pruned to eliminate duplicates Z: 23 38.529 2.365 0.772 0.759 0.955 0.818 CB 1.631 23 residues pruned to eliminate duplicates Z: 18 28.661 1.938 0.627 0.893 1.000 0.765 CB 1.583 18 residues pruned to eliminate duplicates Z: 15 16.461 1.871 0.414 0.901 1.000 0.929 CB 1.187 15 residues pruned to eliminate duplicates Z: 12 28.109 2.257 0.854 0.905 0.909 0.818 CA 1.586 12 residues pruned to eliminate duplicates Z: 15 35.483 2.342 0.878 0.916 1.000 0.714 CB 1.523 15 residues pruned to eliminate duplicates Z: 13 13.829 1.897 0.565 0.709 0.667 0.333 CB 1.669 13 residues pruned to eliminate duplicates Z: 6 5.247 1.804 0.248 0.764 0.800 0.800 CA 1.030 6 residues pruned to eliminate duplicates Z: 21 19.051 2.114 0.587 0.520 0.750 0.550 CB 1.660 21 residues pruned to eliminate duplicates Z: 11 15.104 2.206 0.579 0.884 0.900 0.700 CB 1.101 11 residues pruned to eliminate duplicates Z: 19 15.671 2.113 0.589 0.476 0.889 0.556 CB 1.268 19 residues pruned to eliminate duplicates Z: 13 18.279 2.019 0.458 0.944 1.000 0.917 CB 1.242 13 residues pruned to eliminate duplicates Z: 27 21.389 1.995 0.801 0.479 0.846 0.654 CB 1.409 27 residues pruned to eliminate duplicates Z: 43 29.991 2.104 0.796 0.505 0.810 0.548 CB 1.505 43 residues pruned to eliminate duplicates Z: 18 15.702 1.910 0.576 0.494 0.941 0.647 CB 1.352 Z: 20 37.589 2.297 0.708 0.920 0.947 0.789 CB 1.634 20 residues pruned to eliminate duplicates Z: 9 13.087 2.046 0.725 0.601 0.750 0.625 C 1.588 9 residues pruned to eliminate duplicates Z: 12 25.319 2.156 0.907 0.804 1.000 0.727 CB 1.425 12 residues pruned to eliminate duplicates Z: 17 25.576 2.028 0.456 0.936 1.000 0.938 CB 1.508 17 residues pruned to eliminate duplicates Z: 10 10.875 1.774 0.701 0.790 0.778 0.444 CB 1.198 10 residues pruned to eliminate duplicates Z: 58 43.156 2.055 0.843 0.691 0.930 0.649 CB 1.363 58 residues pruned to eliminate duplicates Z: 27 29.673 2.294 0.783 0.473 0.846 0.538 CB 1.728 27 residues pruned to eliminate duplicates Z: 51 51.094 2.371 0.642 0.696 0.960 0.760 CB 1.617 51 residues pruned to eliminate duplicates Z: 7 3.881 1.573 0.500 0.407 1.000 0.833 N 0.740 Z: 11 5.022 1.615 0.079 0.514 0.800 0.600 CB 1.123 8 residues pruned to eliminate duplicates Z: 19 16.041 2.044 0.650 0.378 0.889 0.611 CA 1.437 19 residues pruned to eliminate duplicates Z: 11 7.216 1.800 -0.196 0.919 1.000 0.900 CB 1.111 Z: 8 10.460 1.980 0.015 0.791 1.000 0.714 CB 1.524 10 residues pruned to eliminate duplicates Z: 32 40.350 2.491 0.818 0.490 0.871 0.516 CB 1.856 32 residues pruned to eliminate duplicates Z: 38 39.063 2.272 0.597 0.672 0.973 0.676 CB 1.552 55 residues pruned to eliminate duplicates Z: 73 43.322 2.162 0.717 0.589 0.903 0.569 CB 1.399 73 residues pruned to eliminate duplicates Z: 13 19.837 2.243 0.487 0.465 1.000 0.833 CB 1.778 14 residues pruned to eliminate duplicates Z: 16 25.199 2.130 0.594 0.848 1.000 0.800 CB 1.422 16 residues pruned to eliminate duplicates Z: 16 25.804 2.030 0.825 0.761 0.933 0.533 CA 1.528 16 residues pruned to eliminate duplicates Z: 6 5.230 1.544 0.289 0.856 1.000 1.000 CB 0.867 6 residues pruned to eliminate duplicates Z: 9 4.298 1.544 0.718 0.304 0.625 0.375 N 1.141 Z: 7 5.972 1.749 0.062 0.667 0.833 0.500 O 1.349 7 residues pruned to eliminate duplicates Z: 13 18.155 2.347 0.827 0.434 0.750 0.333 CB 1.745 13 residues pruned to eliminate duplicates Z: 15 7.262 1.754 0.508 0.250 0.786 0.357 CB 1.245 15 residues pruned to eliminate duplicates Z: 20 14.794 2.004 0.457 0.553 0.895 0.632 CB 1.234 20 residues pruned to eliminate duplicates Z: 110 62.334 2.251 0.779 0.560 0.945 0.606 CB 1.489 110 residues pruned to eliminate duplicates Z: 13 20.809 2.213 0.428 0.857 0.917 0.667 CB 1.529 13 residues pruned to eliminate duplicates Z: 17 28.923 2.079 0.477 0.916 1.000 0.750 CB 1.663 17 residues pruned to eliminate duplicates Z: 22 35.556 2.264 0.767 0.686 1.000 0.762 CB 1.635 22 residues pruned to eliminate duplicates Z: 9 10.615 1.985 0.642 0.669 0.875 0.750 N 1.125 Z: 112 58.979 2.255 0.821 0.533 0.883 0.604 CB 1.496 112 residues pruned to eliminate duplicates Z: 8 6.628 1.896 0.902 0.355 0.714 0.286 CB 1.137 Z: 10 12.429 2.177 0.543 0.890 0.889 0.778 CB 0.998 10 residues pruned to eliminate duplicates Z: 6 5.026 1.808 0.356 0.595 0.800 0.400 CB 1.047 6 residues pruned to eliminate duplicates Z: 13 37.103 2.282 1.174 0.930 1.000 1.000 CB 1.510 13 residues pruned to eliminate duplicates Z: 12 19.535 2.209 0.374 0.838 1.000 0.818 CA 1.450 12 residues pruned to eliminate duplicates Z: 104 55.178 2.209 0.842 0.518 0.883 0.573 CB 1.486 104 residues pruned to eliminate duplicates Z: 11 27.014 2.266 0.682 0.862 1.000 0.800 CA 1.645 11 residues pruned to eliminate duplicates Z: 22 28.907 2.108 0.643 0.795 0.905 0.571 CB 1.554 22 residues pruned to eliminate duplicates Z: 17 26.409 1.889 0.876 0.947 1.000 0.688 CB 1.288 17 residues pruned to eliminate duplicates Z: 16 16.975 2.057 0.848 0.457 1.000 0.667 CB 1.204 16 residues pruned to eliminate duplicates Z: 31 41.124 2.447 0.780 0.560 0.967 0.667 CB 1.682 31 residues pruned to eliminate duplicates Z: 30 42.098 2.172 0.826 0.844 0.966 0.690 CB 1.520 30 residues pruned to eliminate duplicates Z: 13 20.812 2.348 0.902 0.398 0.917 0.500 CA 1.635 13 residues pruned to eliminate duplicates Z: 18 24.536 2.075 0.590 0.866 0.882 0.765 CB 1.496 18 residues pruned to eliminate duplicates Z: 34 32.143 2.074 0.567 0.847 0.970 0.727 CB 1.319 34 residues pruned to eliminate duplicates Z: 22 13.560 1.869 0.426 0.405 0.952 0.667 CB 1.288 22 residues pruned to eliminate duplicates Z: 15 14.083 1.880 0.232 0.899 1.000 1.000 CB 1.162 15 residues pruned to eliminate duplicates Z: 13 21.086 2.281 0.703 0.465 0.917 0.833 CB 1.771 13 residues pruned to eliminate duplicates Z: 14 38.751 2.356 0.852 0.854 1.000 0.615 CB 1.819 14 residues pruned to eliminate duplicates Z: 65 49.798 2.248 0.748 0.582 0.953 0.656 CB 1.537 65 residues pruned to eliminate duplicates Z: 16 20.241 2.000 0.871 0.589 0.933 0.667 CB 1.375 16 residues pruned to eliminate duplicates Z: 8 7.225 1.732 0.012 0.775 1.000 1.000 CB 1.222 7 residues pruned to eliminate duplicates Z: 11 9.975 1.771 0.110 0.922 1.000 0.900 CB 1.128 11 residues pruned to eliminate duplicates Z: 21 43.718 2.318 0.914 0.915 0.950 0.800 CB 1.639 21 residues pruned to eliminate duplicates Z: 11 6.139 1.676 0.761 0.237 0.700 0.500 CA 1.274 Z: 7 7.473 1.700 1.541 0.687 0.833 0.833 CB 0.714 Z: 36 20.727 2.108 0.692 0.366 0.829 0.486 CB 1.369 36 residues pruned to eliminate duplicates Z: 15 8.810 1.667 0.643 0.334 0.786 0.500 CB 1.313 15 residues pruned to eliminate duplicates Z: 101 62.548 2.295 0.867 0.553 0.900 0.570 CB 1.540 101 residues pruned to eliminate duplicates Z: 10 3.682 1.635 0.391 0.275 0.778 0.444 CB 0.895 10 residues pruned to eliminate duplicates Z: 11 28.154 2.365 0.819 0.870 0.900 0.700 CA 1.679 11 residues pruned to eliminate duplicates Z: 23 21.806 2.178 0.643 0.487 0.864 0.591 CB 1.525 23 residues pruned to eliminate duplicates Z: 17 17.744 2.152 0.705 0.477 0.875 0.562 CB 1.415 17 residues pruned to eliminate duplicates Z: 16 28.285 2.085 0.596 0.918 1.000 0.800 CB 1.548 16 residues pruned to eliminate duplicates Z: 6 11.161 2.094 0.810 0.587 0.800 0.600 CA 1.515 6 residues pruned to eliminate duplicates Z: 16 19.648 2.019 0.817 0.528 0.933 0.667 CB 1.441 16 residues pruned to eliminate duplicates Z: 12 24.785 2.238 0.804 0.907 0.909 0.818 CB 1.447 12 residues pruned to eliminate duplicates Z: 30 23.168 2.066 0.744 0.478 0.862 0.621 CB 1.416 30 residues pruned to eliminate duplicates Z: 59 45.685 2.353 0.782 0.501 0.862 0.603 CB 1.658 59 residues pruned to eliminate duplicates Z: 24 33.375 2.402 0.784 0.473 0.870 0.435 CA 1.918 24 residues pruned to eliminate duplicates Z: 14 13.467 1.754 0.690 0.475 1.000 0.692 CB 1.292 Z: 56 43.184 2.132 0.753 0.634 0.982 0.709 CB 1.400 59 residues pruned to eliminate duplicates Z: 18 10.257 1.749 0.243 0.726 0.941 0.588 CB 0.992 13 residues pruned to eliminate duplicates Z: 18 20.057 2.006 0.147 0.900 1.000 0.765 CB 1.510 17 residues pruned to eliminate duplicates Z: 15 30.738 2.326 0.596 0.842 1.000 0.571 CB 1.649 15 residues pruned to eliminate duplicates Z: 20 53.468 2.465 0.905 0.895 1.000 0.789 CB 1.873 20 residues pruned to eliminate duplicates Z: 24 31.370 2.177 0.900 0.595 0.957 0.826 CB 1.510 24 residues pruned to eliminate duplicates Z: 54 26.401 1.923 0.673 0.608 0.849 0.604 CB 1.198 54 residues pruned to eliminate duplicates Z: 37 24.639 2.003 0.625 0.651 0.889 0.694 CB 1.233 37 residues pruned to eliminate duplicates Z: 6 7.651 1.625 0.771 0.619 1.000 0.800 CB 1.063 6 residues pruned to eliminate duplicates Z: 110 49.283 2.055 0.706 0.564 0.908 0.596 CB 1.393 110 residues pruned to eliminate duplicates Z: 13 17.961 2.080 0.557 0.760 0.917 0.583 CB 1.387 13 residues pruned to eliminate duplicates Z: 48 31.263 2.037 0.784 0.621 0.915 0.596 CB 1.223 48 residues pruned to eliminate duplicates Z: 11 24.063 2.302 0.513 0.806 1.000 0.800 CB 1.673 11 residues pruned to eliminate duplicates Z: 45 41.586 2.301 0.973 0.539 0.886 0.568 CB 1.499 45 residues pruned to eliminate duplicates Z: 27 24.644 2.057 0.896 0.547 0.808 0.577 CB 1.465 27 residues pruned to eliminate duplicates Z: 62 31.293 1.964 0.752 0.516 0.869 0.590 CB 1.320 62 residues pruned to eliminate duplicates Z: 14 19.165 1.977 0.578 0.917 1.000 0.769 CB 1.203 14 residues pruned to eliminate duplicates Z: 14 7.029 1.715 0.563 0.337 0.923 0.538 CB 0.941 11 residues pruned to eliminate duplicates Z: 18 17.378 1.801 0.411 0.907 1.000 0.471 CB 1.178 18 residues pruned to eliminate duplicates Z: 12 28.691 2.256 1.000 0.878 1.000 0.818 CB 1.391 12 residues pruned to eliminate duplicates Z: 39 34.467 2.309 0.654 0.496 0.947 0.579 CB 1.550 39 residues pruned to eliminate duplicates Z: 12 15.434 1.958 0.447 0.916 1.000 0.636 CB 1.160 12 residues pruned to eliminate duplicates Z: 24 20.682 2.136 0.596 0.501 0.783 0.522 CB 1.615 24 residues pruned to eliminate duplicates Z: 15 27.470 2.070 0.848 0.910 1.000 0.929 CB 1.361 15 residues pruned to eliminate duplicates Z: 18 15.046 1.847 0.718 0.483 0.941 0.706 CB 1.243 18 residues pruned to eliminate duplicates Z: 50 48.201 2.327 0.592 0.646 0.959 0.633 CB 1.691 58 residues pruned to eliminate duplicates Z: 8 4.897 1.774 0.348 0.600 0.571 0.429 CB 1.231 8 residues pruned to eliminate duplicates Z: 13 12.251 1.955 0.475 0.491 0.917 0.750 CB 1.350 13 residues pruned to eliminate duplicates Z: 16 24.568 1.978 0.638 0.901 0.933 0.333 CB 1.497 16 residues pruned to eliminate duplicates Z: 17 29.254 2.013 0.706 0.905 1.000 0.625 CB 1.516 17 residues pruned to eliminate duplicates Z: 18 28.355 1.958 0.636 0.885 1.000 0.824 CA 1.550 18 residues pruned to eliminate duplicates Z: 17 29.432 1.998 0.707 0.883 1.000 0.438 CB 1.560 17 residues pruned to eliminate duplicates Z: 54 36.026 2.105 0.754 0.515 0.887 0.585 CB 1.489 54 residues pruned to eliminate duplicates Z: 29 26.209 1.908 0.872 0.555 0.893 0.643 CB 1.473 19 residues pruned to eliminate duplicates Z: 25 22.500 2.072 0.587 0.668 0.875 0.708 CB 1.366 25 residues pruned to eliminate duplicates Z: 11 5.110 1.929 -0.059 0.718 0.800 0.600 CB 0.913 11 residues pruned to eliminate duplicates Z: 14 33.788 2.313 0.891 0.842 1.000 0.769 CB 1.597 14 residues pruned to eliminate duplicates Z: 33 34.117 2.126 0.576 0.860 0.938 0.719 CB 1.412 33 residues pruned to eliminate duplicates Z: 7 3.692 1.686 0.400 0.485 0.833 0.500 N 0.778 3 residues pruned to eliminate duplicates Z: 17 27.878 2.044 0.660 0.898 0.938 0.750 CB 1.568 17 residues pruned to eliminate duplicates Z: 47 27.659 2.174 0.666 0.403 0.804 0.435 CB 1.550 47 residues pruned to eliminate duplicates Z: 18 17.276 1.841 0.267 0.931 0.941 0.941 CB 1.333 18 residues pruned to eliminate duplicates Z: 22 13.718 2.003 0.671 0.359 0.905 0.619 CB 1.151 22 residues pruned to eliminate duplicates Z: 64 40.737 2.144 0.823 0.533 0.889 0.556 CB 1.430 64 residues pruned to eliminate duplicates Z: 15 16.421 1.854 0.597 0.920 1.000 0.929 CB 1.044 15 residues pruned to eliminate duplicates Z: 13 4.602 1.745 -0.006 0.603 0.833 0.500 CB 0.833 10 residues pruned to eliminate duplicates Z: 37 54.542 2.388 0.628 0.871 0.972 0.778 CB 1.754 37 residues pruned to eliminate duplicates Z: 25 39.057 2.452 0.959 0.629 0.833 0.750 CB 1.764 25 residues pruned to eliminate duplicates Z: 8 13.125 1.991 0.693 0.754 1.000 0.857 CB 1.174 8 residues pruned to eliminate duplicates Z: 14 14.222 1.934 0.493 0.567 0.923 0.769 CB 1.387 14 residues pruned to eliminate duplicates Z: 10 21.046 2.114 0.935 0.783 0.889 0.778 CB 1.504 10 residues pruned to eliminate duplicates Z: 21 44.777 2.301 0.876 0.930 1.000 0.750 CB 1.622 21 residues pruned to eliminate duplicates Z: 6 4.383 1.856 0.797 0.440 0.800 0.400 CB 0.781 Z: 9 13.009 1.967 0.832 0.572 0.750 0.625 CB 1.588 9 residues pruned to eliminate duplicates Z: 17 13.758 1.875 0.517 0.472 0.938 0.562 CB 1.328 17 residues pruned to eliminate duplicates Z: 32 30.049 2.072 0.885 0.533 0.871 0.548 CB 1.536 32 residues pruned to eliminate duplicates Z: 12 23.082 2.197 0.860 0.589 0.909 0.818 CA 1.719 12 residues pruned to eliminate duplicates Z: 34 28.320 2.129 1.014 0.482 0.818 0.485 CB 1.431 34 residues pruned to eliminate duplicates Z: 9 10.966 1.809 0.400 0.750 1.000 0.750 CA 1.225 9 residues pruned to eliminate duplicates Z: 13 24.654 2.398 0.504 0.792 0.833 0.417 CA 1.832 13 residues pruned to eliminate duplicates Z: 15 13.522 1.855 0.156 0.926 1.000 1.000 CB 1.182 15 residues pruned to eliminate duplicates Z: 29 20.775 1.966 0.661 0.512 0.929 0.571 CB 1.279 29 residues pruned to eliminate duplicates Z: 43 20.363 1.874 0.601 0.450 0.833 0.500 CB 1.322 77 residues pruned to eliminate duplicates Z: 19 25.475 2.079 0.960 0.741 0.944 0.556 CB 1.257 19 residues pruned to eliminate duplicates Z: 32 31.982 2.231 0.727 0.559 0.935 0.613 CB 1.505 32 residues pruned to eliminate duplicates Z: 44 25.494 2.015 0.564 0.526 0.860 0.674 CB 1.397 44 residues pruned to eliminate duplicates Z: 101 55.235 2.294 0.594 0.540 0.930 0.660 CB 1.562 101 residues pruned to eliminate duplicates Z: 40 29.965 2.033 0.601 0.582 0.923 0.590 CB 1.476 40 residues pruned to eliminate duplicates Z: 18 18.393 2.114 0.513 0.599 0.941 0.706 CB 1.348 18 residues pruned to eliminate duplicates Z: 17 22.213 1.989 0.294 0.916 1.000 0.938 CB 1.524 Z: 32 37.591 2.406 0.826 0.514 0.871 0.677 CB 1.740 32 residues pruned to eliminate duplicates Z: 15 12.745 1.831 0.559 0.493 1.000 0.714 CB 1.202 15 residues pruned to eliminate duplicates Z: 45 33.887 2.272 0.782 0.416 0.864 0.477 CB 1.595 45 residues pruned to eliminate duplicates Z: 10 12.468 1.879 0.865 0.464 0.889 0.556 CB 1.384 10 residues pruned to eliminate duplicates Z: 16 19.364 2.001 0.803 0.640 0.867 0.733 CB 1.403 16 residues pruned to eliminate duplicates Z: 15 49.342 2.401 1.378 0.924 0.929 0.643 CB 1.746 15 residues pruned to eliminate duplicates Z: 22 17.027 1.975 0.993 0.435 0.952 0.524 CB 1.060 22 residues pruned to eliminate duplicates Z: 7 5.658 1.672 0.500 0.760 0.833 0.500 CA 0.876 7 residues pruned to eliminate duplicates Z: 15 16.430 1.872 0.426 0.907 1.000 0.929 CB 1.169 15 residues pruned to eliminate duplicates Z: 17 14.171 1.864 0.696 0.477 0.812 0.500 CA 1.413 17 residues pruned to eliminate duplicates Z: 23 19.005 2.060 0.583 0.440 0.909 0.545 CB 1.454 23 residues pruned to eliminate duplicates Z: 13 18.680 2.253 0.594 0.439 0.917 0.833 CB 1.744 13 residues pruned to eliminate duplicates Z: 7 4.200 1.836 0.026 0.660 0.833 0.833 CB 0.942 7 residues pruned to eliminate duplicates Z: 6 5.529 2.064 -0.034 0.773 0.800 0.600 CB 1.217 6 residues pruned to eliminate duplicates Z: 6 2.980 1.606 0.375 0.570 0.600 0.600 CA 0.940 Z: 31 34.931 2.348 0.688 0.647 0.933 0.700 CB 1.502 31 residues pruned to eliminate duplicates 6 1.830 1.391 0.169 0.437 0.600 0.400 N 0.895 ? Z: 24 18.781 2.133 0.779 0.548 0.870 0.652 CB 1.132 24 residues pruned to eliminate duplicates Z: 8 9.266 1.781 0.596 0.573 0.857 0.714 CA 1.341 8 residues pruned to eliminate duplicates Z: 23 12.363 1.832 0.426 0.361 0.909 0.591 CB 1.289 23 residues pruned to eliminate duplicates Z: 38 50.156 2.398 0.558 0.858 0.919 0.730 CB 1.769 38 residues pruned to eliminate duplicates Z: 14 35.179 2.313 0.791 0.851 1.000 0.769 CB 1.744 14 residues pruned to eliminate duplicates 6 0.861 1.693 -0.395 0.414 0.600 0.400 CB 0.685 ? Z: 28 31.658 2.313 0.641 0.517 0.889 0.481 CB 1.776 28 residues pruned to eliminate duplicates Z: 88 45.578 2.105 0.774 0.558 0.897 0.552 CB 1.379 88 residues pruned to eliminate duplicates Z: 11 4.197 1.618 0.890 0.317 0.800 0.500 CB 0.664 11 residues pruned to eliminate duplicates Z: 17 19.132 1.899 0.316 0.940 1.000 1.000 CB 1.330 17 residues pruned to eliminate duplicates Z: 39 43.335 2.355 0.966 0.517 0.947 0.553 CB 1.575 39 residues pruned to eliminate duplicates Z: 7 18.423 1.945 0.843 0.763 1.000 1.000 C 1.661 7 residues pruned to eliminate duplicates Z: 11 3.364 1.664 0.206 0.326 0.700 0.400 CA 0.917 11 residues pruned to eliminate duplicates Z: 11 8.699 1.764 0.687 0.392 1.000 0.700 CB 1.036 11 residues pruned to eliminate duplicates Z: 12 17.741 2.068 0.852 0.540 0.818 0.636 CB 1.640 12 residues pruned to eliminate duplicates Z: 14 17.092 2.092 0.493 0.790 0.923 0.692 CB 1.274 14 residues pruned to eliminate duplicates Z: 32 23.128 2.037 0.614 0.500 0.806 0.613 CB 1.567 49 residues pruned to eliminate duplicates Z: 65 31.414 2.022 0.627 0.477 0.875 0.609 CB 1.396 65 residues pruned to eliminate duplicates Z: 20 16.647 2.100 0.601 0.473 0.895 0.684 CB 1.305 26 residues pruned to eliminate duplicates Z: 13 10.844 1.821 0.277 0.510 0.917 0.583 CB 1.454 12 residues pruned to eliminate duplicates Z: 9 3.387 1.588 0.095 0.433 0.750 0.625 N 0.984 Z: 46 36.704 2.296 0.934 0.485 0.822 0.511 CB 1.521 46 residues pruned to eliminate duplicates Z: 14 12.902 2.078 0.463 0.489 0.923 0.692 CB 1.289 Z: 13 25.545 2.125 0.708 0.874 0.917 0.750 CB 1.613 13 residues pruned to eliminate duplicates Z: 17 35.156 2.378 1.243 0.752 0.875 0.812 CB 1.504 17 residues pruned to eliminate duplicates Z: 23 17.398 1.882 0.658 0.474 0.955 0.591 CB 1.278 18 residues pruned to eliminate duplicates Z: 8 9.649 1.698 0.641 0.547 1.000 0.857 CB 1.251 8 residues pruned to eliminate duplicates Z: 14 13.832 2.126 0.596 0.398 0.769 0.385 CB 1.636 14 residues pruned to eliminate duplicates Z: 7 9.772 1.602 0.657 0.663 1.000 0.500 CA 1.292 7 residues pruned to eliminate duplicates Z: 18 20.447 1.777 0.532 0.905 1.000 0.882 CA 1.297 18 residues pruned to eliminate duplicates Z: 15 10.943 1.697 0.526 0.459 0.929 0.500 CB 1.267 15 residues pruned to eliminate duplicates Z: 50 38.153 2.111 0.744 0.650 0.939 0.653 CB 1.371 50 residues pruned to eliminate duplicates Z: 28 30.460 2.188 0.836 0.564 0.889 0.519 CB 1.543 28 residues pruned to eliminate duplicates Z: 73 45.927 2.140 0.784 0.585 0.917 0.569 CB 1.426 73 residues pruned to eliminate duplicates Z: 9 11.806 1.864 0.715 0.620 0.875 0.750 CB 1.332 9 residues pruned to eliminate duplicates Z: 20 13.639 1.859 0.396 0.504 0.895 0.789 CB 1.342 20 residues pruned to eliminate duplicates Z: 18 19.854 1.832 0.553 0.905 0.941 0.882 CA 1.280 18 residues pruned to eliminate duplicates Z: 8 8.800 1.822 0.601 0.758 0.857 0.571 CB 1.057 8 residues pruned to eliminate duplicates Z: 12 24.556 2.392 0.719 0.796 0.818 0.636 CB 1.698 12 residues pruned to eliminate duplicates Z: 9 11.388 1.762 0.588 0.829 1.000 0.625 CB 1.083 9 residues pruned to eliminate duplicates Z: 12 14.385 2.018 1.025 0.481 0.909 0.545 CB 1.190 12 residues pruned to eliminate duplicates Z: 14 11.939 1.763 0.386 0.904 0.923 0.615 CB 1.045 14 residues pruned to eliminate duplicates Z: 15 11.613 1.839 0.035 0.928 1.000 1.000 CB 1.142 15 residues pruned to eliminate duplicates Z: 20 17.356 1.999 0.395 0.613 0.842 0.684 CA 1.524 20 residues pruned to eliminate duplicates Z: 8 8.979 1.987 0.571 0.587 0.857 0.857 CA 1.167 8 residues pruned to eliminate duplicates Z: 16 21.901 1.939 0.478 0.841 1.000 0.533 CB 1.471 16 residues pruned to eliminate duplicates Z: 17 25.803 2.011 0.364 0.943 1.000 0.750 CB 1.630 17 residues pruned to eliminate duplicates Z: 12 25.777 2.239 0.658 0.907 0.909 0.909 CB 1.637 12 residues pruned to eliminate duplicates Z: 16 30.283 2.215 0.761 0.855 1.000 0.800 CB 1.479 16 residues pruned to eliminate duplicates Z: 9 9.568 2.137 0.482 0.534 0.750 0.750 CB 1.377 9 residues pruned to eliminate duplicates Z: 15 18.530 1.870 0.615 0.917 1.000 0.857 CB 1.157 15 residues pruned to eliminate duplicates Z: 6 2.247 1.806 -0.505 0.539 0.800 0.200 CB 1.351 Z: 12 21.117 2.157 0.751 0.648 0.909 0.727 CA 1.616 12 residues pruned to eliminate duplicates Z: 30 27.965 2.215 0.664 0.564 0.828 0.552 CB 1.601 30 residues pruned to eliminate duplicates Z: 18 37.141 2.371 0.654 0.933 1.000 0.824 CB 1.603 18 residues pruned to eliminate duplicates Z: 14 31.303 2.224 1.017 0.934 1.000 0.846 CB 1.349 14 residues pruned to eliminate duplicates Z: 8 5.207 1.556 0.589 0.526 0.857 0.857 CB 0.905 Z: 13 9.802 1.928 0.427 0.457 0.833 0.583 CB 1.291 13 residues pruned to eliminate duplicates Z: 18 12.449 1.907 1.182 0.546 0.765 0.471 CB 0.907 18 residues pruned to eliminate duplicates Z: 10 19.680 2.356 0.295 0.844 1.000 0.778 CA 1.600 10 residues pruned to eliminate duplicates Z: 9 8.806 1.627 0.683 0.706 0.875 0.875 CB 1.077 Z: 11 20.080 1.946 0.842 0.848 0.900 0.700 CB 1.460 11 residues pruned to eliminate duplicates Z: 7 8.254 1.831 0.418 0.526 1.000 0.667 CB 1.265 Z: 6 5.823 1.683 0.654 0.439 0.800 0.600 CA 1.246 6 residues pruned to eliminate duplicates Z: 17 25.912 2.037 0.390 0.930 1.000 0.875 CA 1.600 17 residues pruned to eliminate duplicates Z: 25 16.525 1.851 0.617 0.596 0.875 0.667 CB 1.176 25 residues pruned to eliminate duplicates Z: 43 40.507 2.126 0.818 0.597 0.952 0.643 CB 1.548 40 residues pruned to eliminate duplicates Z: 14 35.031 2.306 0.801 0.840 1.000 0.692 CB 1.746 14 residues pruned to eliminate duplicates Z: 32 34.128 2.173 0.705 0.708 0.935 0.839 CB 1.465 32 residues pruned to eliminate duplicates Z: 18 18.537 1.989 1.003 0.503 0.882 0.412 CB 1.275 12 residues pruned to eliminate duplicates Z: 30 16.197 1.803 0.492 0.455 0.828 0.621 CB 1.415 30 residues pruned to eliminate duplicates Z: 15 14.558 2.140 0.663 0.430 0.929 0.571 CB 1.266 15 residues pruned to eliminate duplicates Z: 16 13.999 1.747 0.519 0.854 0.933 0.467 CB 1.078 16 residues pruned to eliminate duplicates Z: 6 10.065 2.095 0.342 0.708 0.800 0.400 N 1.657 6 residues pruned to eliminate duplicates Z: 12 21.684 2.296 0.335 0.896 1.000 0.818 CB 1.528 12 residues pruned to eliminate duplicates Z: 16 25.287 1.999 0.662 0.846 1.000 0.667 CB 1.460 16 residues pruned to eliminate duplicates Z: 22 34.124 2.224 0.709 0.866 0.952 0.571 CB 1.506 22 residues pruned to eliminate duplicates Z: 16 30.292 2.003 0.705 0.916 1.000 0.533 CB 1.618 16 residues pruned to eliminate duplicates Z: 14 10.859 1.738 0.517 0.471 1.000 0.615 CB 1.177 14 residues pruned to eliminate duplicates Z: 11 23.053 2.251 0.718 0.740 0.900 0.900 CB 1.689 11 residues pruned to eliminate duplicates Z: 37 36.121 2.263 0.815 0.497 0.917 0.667 CB 1.603 37 residues pruned to eliminate duplicates Z: 22 21.004 2.142 0.430 0.657 0.905 0.524 CB 1.429 22 residues pruned to eliminate duplicates Z: 6 4.441 1.702 -0.063 0.453 1.000 0.400 N 1.307 3 residues pruned to eliminate duplicates Z: 6 9.041 1.824 0.500 0.746 0.800 0.400 CB 1.482 6 residues pruned to eliminate duplicates Z: 6 3.290 1.503 0.408 0.443 0.800 0.400 CB 0.922 Z: 14 11.589 1.777 0.348 0.547 0.846 0.692 CB 1.514 14 residues pruned to eliminate duplicates Z: 19 29.597 2.217 0.567 0.852 0.944 0.778 CB 1.572 19 residues pruned to eliminate duplicates Z: 18 37.908 2.492 0.902 0.558 1.000 0.647 CA 1.834 18 residues pruned to eliminate duplicates Z: 15 16.769 1.843 0.876 0.371 1.000 0.571 CA 1.488 15 residues pruned to eliminate duplicates Z: 8 4.968 1.707 0.351 0.838 0.857 0.571 CB 0.710 8 residues pruned to eliminate duplicates Z: 6 6.353 1.637 0.520 0.597 0.800 0.600 CA 1.300 Z: 30 39.564 2.491 0.691 0.572 0.966 0.759 CB 1.685 30 residues pruned to eliminate duplicates Z: 11 15.234 2.049 0.425 0.682 1.000 0.800 CB 1.396 11 residues pruned to eliminate duplicates Z: 13 34.359 2.319 0.794 0.838 1.000 0.583 CB 1.782 13 residues pruned to eliminate duplicates Z: 13 22.876 2.232 0.476 0.883 1.000 0.833 CB 1.449 13 residues pruned to eliminate duplicates Z: 23 18.928 1.975 0.722 0.488 0.864 0.318 CB 1.391 23 residues pruned to eliminate duplicates Z: 9 3.671 1.288 0.845 0.493 0.750 0.750 CB 0.734 Z: 17 32.043 2.041 0.772 0.936 1.000 0.688 CB 1.542 17 residues pruned to eliminate duplicates Z: 15 14.004 1.775 0.528 0.889 0.929 0.643 CB 1.070 15 residues pruned to eliminate duplicates Z: 7 4.435 1.693 0.248 0.245 1.000 0.667 CB 1.150 7 residues pruned to eliminate duplicates Z: 21 29.527 2.318 0.944 0.370 1.000 0.500 CB 1.684 21 residues pruned to eliminate duplicates Z: 8 10.078 2.247 0.567 0.282 0.857 0.429 CB 1.614 8 residues pruned to eliminate duplicates Z: 74 44.053 2.141 0.707 0.586 0.932 0.603 CB 1.394 74 residues pruned to eliminate duplicates Z: 8 4.880 1.680 0.606 0.461 0.714 0.429 CA 0.996 8 residues pruned to eliminate duplicates Z: 10 6.989 1.763 0.416 0.364 0.778 0.667 CB 1.388 10 residues pruned to eliminate duplicates 6 1.825 1.533 -0.327 0.406 0.800 0.400 O 1.091 ? Z: 18 12.258 1.937 0.330 0.343 0.824 0.647 CB 1.663 18 residues pruned to eliminate duplicates Z: 17 24.343 1.888 0.701 0.930 1.000 0.812 CB 1.325 17 residues pruned to eliminate duplicates Z: 15 8.389 1.878 0.873 0.388 0.643 0.500 CB 1.118 15 residues pruned to eliminate duplicates Z: 8 14.407 2.211 0.499 0.498 1.000 0.857 CB 1.646 8 residues pruned to eliminate duplicates Z: 7 8.503 1.666 0.678 0.501 1.000 0.833 CB 1.241 7 residues pruned to eliminate duplicates Z: 32 17.022 2.035 0.636 0.398 0.839 0.452 CB 1.220 32 residues pruned to eliminate duplicates Z: 9 5.387 1.490 0.254 0.761 0.875 0.375 CB 0.924 9 residues pruned to eliminate duplicates Z: 13 5.232 1.660 0.758 0.322 0.750 0.583 CB 0.839 13 residues pruned to eliminate duplicates Z: 13 22.810 2.056 0.808 0.859 0.917 0.833 CB 1.421 13 residues pruned to eliminate duplicates Z: 26 15.020 1.776 0.526 0.539 0.880 0.680 CB 1.213 26 residues pruned to eliminate duplicates Z: 21 13.376 1.965 0.735 0.303 0.750 0.500 CB 1.457 21 residues pruned to eliminate duplicates Z: 14 10.509 1.714 0.691 0.442 0.769 0.231 CA 1.388 14 residues pruned to eliminate duplicates Z: 6 7.457 1.808 0.384 0.669 1.000 0.800 CA 1.140 6 residues pruned to eliminate duplicates Z: 38 59.910 2.391 0.907 0.850 0.919 0.730 CB 1.741 38 residues pruned to eliminate duplicates Z: 14 14.663 1.933 0.480 0.636 1.000 0.769 CB 1.251 13 residues pruned to eliminate duplicates Z: 8 13.834 2.025 0.868 0.608 0.857 0.429 CA 1.455 8 residues pruned to eliminate duplicates Z: 9 6.531 1.938 0.319 0.347 0.875 0.625 CB 1.220 9 residues pruned to eliminate duplicates Z: 8 5.047 1.526 0.519 0.377 0.857 0.571 CA 1.095 Z: 80 58.328 2.343 0.700 0.621 0.937 0.722 CB 1.569 80 residues pruned to eliminate duplicates Z: 29 33.903 2.108 0.574 0.689 0.964 0.714 CB 1.684 29 residues pruned to eliminate duplicates Z: 7 4.985 1.578 0.182 0.548 0.833 0.500 N 1.250 Z: 6 2.924 1.500 -0.040 0.441 1.000 0.600 CB 0.965 Z: 8 10.548 1.843 1.092 0.612 0.714 0.714 N 1.302 8 residues pruned to eliminate duplicates Z: 13 12.501 2.087 0.499 0.898 0.917 0.667 CB 0.900 13 residues pruned to eliminate duplicates Z: 25 33.995 2.200 0.826 0.674 0.958 0.708 CB 1.536 25 residues pruned to eliminate duplicates Z: 16 19.141 1.965 0.807 0.767 0.867 0.333 CB 1.268 16 residues pruned to eliminate duplicates Z: 6 6.803 1.541 0.712 0.842 1.000 0.600 CB 0.859 6 residues pruned to eliminate duplicates Z: 18 13.462 1.882 0.547 0.373 0.941 0.588 CB 1.365 18 residues pruned to eliminate duplicates Z: 82 54.282 2.363 0.539 0.612 0.938 0.654 CB 1.590 82 residues pruned to eliminate duplicates Z: 16 22.918 1.965 0.819 0.828 0.867 0.467 CA 1.438 16 residues pruned to eliminate duplicates Z: 15 16.814 1.864 0.462 0.920 1.000 0.714 CB 1.161 15 residues pruned to eliminate duplicates Z: 7 4.444 1.670 0.409 0.425 0.833 0.667 CB 1.000 Z: 66 46.915 2.276 0.674 0.467 0.923 0.554 CB 1.711 67 residues pruned to eliminate duplicates Z: 8 3.336 1.665 -0.018 0.341 0.857 0.286 CB 1.069 8 residues pruned to eliminate duplicates Z: 30 28.598 2.311 0.478 0.560 0.897 0.621 CB 1.636 30 residues pruned to eliminate duplicates Z: 21 22.440 2.242 0.692 0.649 0.850 0.450 CB 1.354 21 residues pruned to eliminate duplicates Z: 6 7.136 1.674 0.485 0.672 0.800 0.800 CA 1.369 6 residues pruned to eliminate duplicates Z: 16 16.320 1.733 0.741 0.871 0.933 0.600 CB 1.092 16 residues pruned to eliminate duplicates Z: 15 6.955 1.621 0.569 0.392 0.857 0.643 CB 0.956 15 residues pruned to eliminate duplicates Z: 10 10.873 1.753 0.778 0.670 0.889 0.667 CB 1.118 Z: 6 2.717 1.431 0.338 0.297 0.800 0.400 CB 0.995 Z: 7 3.474 1.658 -0.187 0.584 1.000 0.667 CB 0.970 Z: 6 2.386 1.674 0.348 0.299 0.600 0.400 CB 0.987 Z: 8 4.383 1.439 0.376 0.335 0.857 0.429 C 1.169 8 residues pruned to eliminate duplicates Z: 6 5.740 1.875 0.653 0.460 0.800 0.600 CB 1.079 Z: 17 21.177 2.001 0.179 0.922 1.000 0.938 CB 1.578 16 residues pruned to eliminate duplicates Z: 8 7.203 1.887 0.209 0.649 0.857 0.571 CA 1.212 8 residues pruned to eliminate duplicates Z: 6 3.326 1.730 -0.155 0.512 1.000 0.800 CB 1.006 6 residues pruned to eliminate duplicates Z: 9 2.462 1.593 0.195 0.150 0.750 0.625 CB 0.938 Z: 14 18.534 2.096 0.814 0.411 0.923 0.615 CB 1.608 14 residues pruned to eliminate duplicates Z: 23 30.078 2.256 0.787 0.541 0.909 0.682 CB 1.682 23 residues pruned to eliminate duplicates Z: 17 30.816 2.036 0.824 0.921 1.000 0.625 CB 1.460 Z: 16 10.821 1.745 0.287 0.827 0.933 0.867 CB 1.004 14 residues pruned to eliminate duplicates Z: 18 5.304 1.666 0.158 0.268 0.765 0.471 CB 1.136 18 residues pruned to eliminate duplicates Z: 18 18.787 1.822 0.403 0.919 1.000 0.824 CA 1.256 18 residues pruned to eliminate duplicates 7 1.747 1.393 0.358 0.286 0.833 0.500 CB 0.576 ? Z: 86 54.466 2.283 0.766 0.553 0.929 0.635 CB 1.497 86 residues pruned to eliminate duplicates Z: 6 6.469 1.738 0.093 0.829 0.800 0.600 CB 1.433 6 residues pruned to eliminate duplicates Z: 14 19.754 2.157 0.562 0.474 1.000 0.923 CA 1.669 14 residues pruned to eliminate duplicates Z: 42 41.403 2.216 0.656 0.590 1.000 0.659 CB 1.616 63 residues pruned to eliminate duplicates Z: 6 3.640 1.379 0.383 0.752 0.800 0.600 CA 0.852 6 residues pruned to eliminate duplicates Z: 16 16.846 2.240 0.699 0.396 0.867 0.400 CB 1.471 16 residues pruned to eliminate duplicates Z: 14 14.930 2.034 0.590 0.826 0.923 0.769 CB 1.046 14 residues pruned to eliminate duplicates Z: 17 22.385 1.961 0.615 0.902 0.938 0.812 CA 1.344 17 residues pruned to eliminate duplicates Z: 67 44.324 2.286 0.628 0.552 0.924 0.667 CB 1.508 67 residues pruned to eliminate duplicates Z: 14 8.133 1.630 0.868 0.572 0.846 0.769 CB 0.817 Z: 19 16.542 1.842 0.661 0.485 1.000 0.667 CB 1.293 19 residues pruned to eliminate duplicates Z: 7 7.605 1.528 0.524 0.852 1.000 0.667 CA 0.986 7 residues pruned to eliminate duplicates Z: 17 19.270 2.014 0.898 0.421 0.938 0.500 CA 1.459 17 residues pruned to eliminate duplicates Z: 10 5.043 1.768 0.118 0.353 0.889 0.556 CB 1.121 10 residues pruned to eliminate duplicates Z: 53 52.676 2.335 0.607 0.678 0.962 0.692 CB 1.719 53 residues pruned to eliminate duplicates Z: 19 16.768 1.830 0.667 0.522 1.000 0.722 CB 1.267 19 residues pruned to eliminate duplicates Z: 36 31.967 2.029 0.607 0.844 0.943 0.714 CB 1.308 36 residues pruned to eliminate duplicates Z: 14 25.775 2.223 0.642 0.707 1.000 0.769 CA 1.622 14 residues pruned to eliminate duplicates 6 1.492 1.379 0.171 0.288 0.600 0.400 CB 0.875 ? Z: 41 24.121 1.921 0.567 0.586 0.900 0.725 CB 1.296 41 residues pruned to eliminate duplicates Z: 13 15.390 2.110 0.376 0.796 0.917 0.667 CB 1.288 13 residues pruned to eliminate duplicates Z: 83 64.423 2.365 0.744 0.638 0.939 0.707 CB 1.613 83 residues pruned to eliminate duplicates Z: 16 20.823 2.160 0.392 0.852 0.933 0.800 CB 1.417 16 residues pruned to eliminate duplicates Z: 15 30.667 2.367 0.807 0.848 0.929 0.786 CB 1.530 15 residues pruned to eliminate duplicates Z: 15 15.436 1.970 0.590 0.417 0.929 0.571 CB 1.548 15 residues pruned to eliminate duplicates Z: 13 9.299 1.792 0.572 0.421 0.833 0.500 CA 1.241 13 residues pruned to eliminate duplicates Z: 16 18.840 2.203 0.702 0.448 0.800 0.667 CA 1.711 16 residues pruned to eliminate duplicates Z: 34 32.411 2.077 0.573 0.856 0.939 0.636 CB 1.355 34 residues pruned to eliminate duplicates Z: 12 12.569 1.780 0.460 0.691 0.909 0.273 CA 1.346 12 residues pruned to eliminate duplicates Z: 10 12.169 1.897 0.380 0.538 1.000 0.778 CA 1.492 10 residues pruned to eliminate duplicates Z: 8 7.756 1.820 0.261 0.808 1.000 0.714 CB 0.976 8 residues pruned to eliminate duplicates Z: 15 16.241 1.861 0.444 0.935 1.000 0.929 CB 1.126 15 residues pruned to eliminate duplicates Z: 14 36.337 2.357 0.857 0.861 1.000 0.769 CB 1.691 14 residues pruned to eliminate duplicates Z: 60 29.150 1.883 0.643 0.658 0.881 0.695 CB 1.202 60 residues pruned to eliminate duplicates Z: 9 7.257 1.667 0.507 0.899 0.750 0.500 CB 0.974 9 residues pruned to eliminate duplicates Z: 7 10.469 1.632 0.973 0.600 1.000 0.833 CA 1.207 8 residues pruned to eliminate duplicates Z: 26 28.973 2.284 0.698 0.612 0.880 0.680 CB 1.527 26 residues pruned to eliminate duplicates Z: 14 19.876 1.954 0.588 0.928 1.000 0.769 CB 1.244 14 residues pruned to eliminate duplicates Z: 9 16.007 2.010 0.601 0.707 1.000 0.750 CB 1.457 9 residues pruned to eliminate duplicates Z: 7 5.537 2.036 0.363 0.228 0.833 0.167 CA 1.344 7 residues pruned to eliminate duplicates Z: 94 62.686 2.276 0.878 0.547 0.946 0.559 CB 1.534 94 residues pruned to eliminate duplicates Z: 10 16.969 2.098 0.753 0.602 1.000 0.778 CB 1.397 10 residues pruned to eliminate duplicates Z: 27 24.198 2.055 0.803 0.521 0.846 0.654 CB 1.484 27 residues pruned to eliminate duplicates Z: 7 5.867 1.575 0.743 0.808 0.667 0.500 CB 1.000 7 residues pruned to eliminate duplicates Z: 18 16.549 1.776 0.490 0.861 0.941 0.706 CB 1.185 18 residues pruned to eliminate duplicates Z: 19 16.264 1.951 0.772 0.441 0.889 0.556 CB 1.326 19 residues pruned to eliminate duplicates Z: 37 32.014 2.257 0.755 0.609 0.861 0.528 CB 1.411 37 residues pruned to eliminate duplicates Z: 12 7.861 1.876 0.319 0.421 0.909 0.364 CB 1.144 12 residues pruned to eliminate duplicates Z: 19 17.081 1.701 0.463 0.878 0.944 0.778 CA 1.244 19 residues pruned to eliminate duplicates Z: 11 17.137 2.069 0.825 0.453 0.900 0.500 CB 1.674 11 residues pruned to eliminate duplicates Z: 14 20.978 2.163 0.814 0.465 0.923 0.692 CA 1.664 14 residues pruned to eliminate duplicates Z: 20 30.935 2.312 0.593 0.736 0.947 0.842 CB 1.646 20 residues pruned to eliminate duplicates Z: 10 8.786 1.814 0.344 0.588 1.000 0.667 CB 1.104 Z: 15 18.110 1.878 0.661 0.915 1.000 0.500 CB 1.096 15 residues pruned to eliminate duplicates Z: 51 48.847 2.332 0.689 0.600 0.940 0.680 CB 1.696 27 residues pruned to eliminate duplicates Z: 13 21.489 2.284 0.586 0.667 0.833 0.417 CB 1.760 13 residues pruned to eliminate duplicates Z: 7 2.260 1.503 0.143 0.303 0.833 0.333 CB 0.802 7 residues pruned to eliminate duplicates Z: 16 10.351 1.855 1.011 0.413 0.667 0.467 CB 1.177 16 residues pruned to eliminate duplicates Z: 6 3.664 1.794 -0.357 0.557 1.000 0.600 CB 1.343 6 residues pruned to eliminate duplicates 10 1.870 1.477 0.340 0.149 0.556 0.111 CB 0.874 ? Z: 6 3.597 1.568 0.521 0.300 0.800 0.400 N 1.054 Z: 30 25.928 2.189 0.746 0.343 0.897 0.483 CB 1.667 30 residues pruned to eliminate duplicates Z: 34 19.602 1.887 0.612 0.565 0.939 0.576 CB 1.122 34 residues pruned to eliminate duplicates Z: 16 12.228 2.131 0.558 0.366 0.800 0.400 CB 1.373 16 residues pruned to eliminate duplicates Z: 25 26.560 2.087 0.885 0.541 0.917 0.708 CB 1.445 25 residues pruned to eliminate duplicates Z: 25 15.256 1.778 0.478 0.570 0.875 0.625 CB 1.266 25 residues pruned to eliminate duplicates Z: 12 6.580 1.744 0.304 0.317 0.818 0.364 CB 1.306 12 residues pruned to eliminate duplicates Z: 22 38.158 2.247 0.657 0.854 1.000 0.905 CB 1.651 22 residues pruned to eliminate duplicates Z: 17 16.253 2.002 0.861 0.400 0.875 0.562 CB 1.384 17 residues pruned to eliminate duplicates Z: 37 24.240 1.972 0.768 0.533 0.889 0.583 CB 1.262 37 residues pruned to eliminate duplicates Z: 8 2.663 1.427 0.071 0.355 0.714 0.571 N 1.079 8 residues pruned to eliminate duplicates Z: 12 9.956 2.152 0.315 0.244 0.818 0.455 CB 1.742 12 residues pruned to eliminate duplicates Z: 33 35.174 2.118 0.668 0.861 0.938 0.719 CB 1.380 33 residues pruned to eliminate duplicates Z: 18 16.317 2.130 0.538 0.511 0.882 0.647 CB 1.355 18 residues pruned to eliminate duplicates Z: 88 45.043 2.119 0.760 0.559 0.862 0.586 CB 1.419 88 residues pruned to eliminate duplicates Z: 9 4.085 1.738 -0.116 0.466 0.875 0.500 CB 1.112 Z: 14 9.962 1.877 0.487 0.461 0.923 0.615 CB 1.116 14 residues pruned to eliminate duplicates Z: 70 46.602 2.235 0.588 0.553 0.957 0.652 CB 1.570 43 residues pruned to eliminate duplicates Z: 6 6.692 1.772 0.626 0.623 0.800 0.600 CB 1.156 Z: 21 40.910 2.268 0.829 0.902 0.950 0.650 CA 1.655 21 residues pruned to eliminate duplicates Z: 10 10.948 1.818 0.947 0.437 0.889 0.778 CB 1.237 10 residues pruned to eliminate duplicates Z: 6 8.366 2.023 0.422 0.534 0.800 0.600 CB 1.573 13 residues pruned to eliminate duplicates Z: 15 13.977 1.981 0.651 0.513 1.000 0.643 CB 1.127 Z: 27 17.696 1.833 0.490 0.527 0.885 0.654 CB 1.398 27 residues pruned to eliminate duplicates Z: 11 2.882 1.601 0.406 0.328 0.500 0.300 CB 0.978 Z: 16 10.151 1.690 0.135 0.879 1.000 0.800 CB 0.991 16 residues pruned to eliminate duplicates Z: 86 53.428 2.230 0.737 0.525 0.953 0.694 CB 1.532 86 residues pruned to eliminate duplicates Z: 11 12.922 2.091 0.388 0.602 0.800 0.800 CB 1.597 11 residues pruned to eliminate duplicates Z: 30 24.566 2.027 0.768 0.504 0.897 0.724 CB 1.414 30 residues pruned to eliminate duplicates Z: 18 13.916 1.983 0.312 0.600 0.824 0.706 CB 1.432 18 residues pruned to eliminate duplicates Z: 6 3.085 1.396 0.027 0.295 1.000 0.400 CA 1.210 6 residues pruned to eliminate duplicates Z: 48 29.304 1.931 0.912 0.603 0.894 0.617 CB 1.174 48 residues pruned to eliminate duplicates Z: 17 26.746 2.045 0.511 0.921 0.938 0.875 CA 1.624 17 residues pruned to eliminate duplicates Z: 11 13.049 1.985 0.340 0.547 1.000 0.600 CA 1.482 11 residues pruned to eliminate duplicates Z: 40 28.511 2.006 0.793 0.450 0.923 0.538 CB 1.448 40 residues pruned to eliminate duplicates Z: 20 14.347 1.647 0.871 0.495 0.947 0.526 CB 1.133 14 residues pruned to eliminate duplicates Z: 8 2.781 1.561 0.890 0.348 0.429 0.429 C 0.980 Z: 6 4.034 1.506 0.113 0.423 1.000 0.600 CB 1.166 6 residues pruned to eliminate duplicates Z: 9 7.706 1.671 0.269 0.819 1.000 1.000 CA 0.974 9 residues pruned to eliminate duplicates Z: 15 12.266 1.932 0.713 0.382 0.857 0.571 CB 1.311 15 residues pruned to eliminate duplicates Z: 10 18.764 2.023 0.785 0.846 0.889 0.333 CB 1.448 10 residues pruned to eliminate duplicates Z: 24 34.620 2.240 0.794 0.656 0.957 0.652 CB 1.624 24 residues pruned to eliminate duplicates Z: 9 10.178 1.705 0.444 0.856 1.000 0.750 CB 1.078 9 residues pruned to eliminate duplicates Z: 43 38.226 2.166 0.593 0.625 0.929 0.690 CB 1.637 64 residues pruned to eliminate duplicates Z: 13 23.645 2.208 0.445 0.843 1.000 0.583 CB 1.594 13 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 14 5.275 1.739 0.388 0.224 0.692 0.231 CB 1.209 14 residues pruned to eliminate duplicates Z: 9 3.065 1.626 0.303 0.175 0.750 0.375 CB 1.010 Z: 8 8.551 1.679 0.675 0.526 0.857 0.714 CA 1.307 6 residues pruned to eliminate duplicates Z: 6 7.110 1.807 0.378 0.409 1.000 0.400 CB 1.405 6 residues pruned to eliminate duplicates Z: 8 5.598 1.892 0.395 0.519 0.714 0.714 CB 1.102 8 residues pruned to eliminate duplicates Z: 7 6.689 1.713 0.544 0.524 0.833 0.500 N 1.210 7 residues pruned to eliminate duplicates Z: 7 6.481 1.773 0.569 0.607 0.833 0.500 N 1.032 5 residues pruned to eliminate duplicates Z: 6 2.615 1.514 0.291 0.336 0.800 0.400 CB 0.894 6 residues pruned to eliminate duplicates Z: 10 8.626 1.834 0.864 0.399 1.000 0.444 N 0.935 8 residues pruned to eliminate duplicates 6 1.133 1.349 1.026 0.200 0.600 0.400 CB 0.441 ? Z: 18 29.448 1.985 0.632 0.876 1.000 0.882 CB 1.603 18 residues pruned to eliminate duplicates Z: 17 30.770 2.082 0.586 0.903 1.000 0.812 CB 1.660 17 residues pruned to eliminate duplicates Z: 18 27.966 1.966 0.547 0.900 1.000 0.941 CA 1.593 18 residues pruned to eliminate duplicates Z: 16 31.528 2.097 0.582 0.914 1.000 0.800 CA 1.735 16 residues pruned to eliminate duplicates Z: 17 30.292 2.070 0.643 0.920 0.938 0.750 CB 1.673 17 residues pruned to eliminate duplicates Z: 17 26.948 2.002 0.601 0.868 0.938 0.812 CA 1.638 17 residues pruned to eliminate duplicates Z: 16 27.367 2.082 0.534 0.881 0.933 0.867 CB 1.717 16 residues pruned to eliminate duplicates Z: 16 33.684 2.101 0.722 0.933 1.000 0.933 CB 1.678 16 residues pruned to eliminate duplicates Z: 18 29.730 1.966 0.745 0.899 1.000 0.647 CB 1.502 18 residues pruned to eliminate duplicates Z: 17 29.803 2.061 0.719 0.931 0.938 0.750 CB 1.568 17 residues pruned to eliminate duplicates Z: 15 29.061 2.121 0.612 0.921 1.000 0.786 CB 1.598 15 residues pruned to eliminate duplicates Z: 16 32.483 2.056 0.873 0.917 1.000 0.533 CB 1.538 16 residues pruned to eliminate duplicates Z: 16 37.173 2.050 0.956 0.945 1.000 0.467 CB 1.656 16 residues pruned to eliminate duplicates Z: 16 33.564 2.035 0.910 0.924 0.933 0.733 CB 1.677 16 residues pruned to eliminate duplicates Z: 14 16.630 1.917 0.649 0.552 1.000 0.769 CB 1.387 14 residues pruned to eliminate duplicates Z: 6 3.018 1.394 0.495 0.375 0.800 0.400 N 0.925 6 residues pruned to eliminate duplicates Z: 13 14.007 2.051 0.585 0.453 1.000 0.583 CB 1.306 13 residues pruned to eliminate duplicates Z: 14 12.565 2.014 0.624 0.423 0.846 0.615 CB 1.364 14 residues pruned to eliminate duplicates Z: 14 14.062 2.026 0.614 0.469 0.846 0.462 CB 1.455 14 residues pruned to eliminate duplicates Z: 12 11.561 2.011 0.619 0.484 0.909 0.545 CB 1.196 12 residues pruned to eliminate duplicates Z: 14 11.033 1.842 0.731 0.392 1.000 0.538 CB 1.076 14 residues pruned to eliminate duplicates Z: 22 15.913 2.010 0.559 0.450 0.857 0.524 CB 1.361 22 residues pruned to eliminate duplicates Z: 42 34.599 2.332 0.714 0.427 0.878 0.415 CB 1.660 42 residues pruned to eliminate duplicates Z: 19 11.483 1.927 0.328 0.412 0.833 0.444 CB 1.391 19 residues pruned to eliminate duplicates Z: 25 36.410 2.528 0.574 0.468 0.958 0.333 CA 2.013 25 residues pruned to eliminate duplicates Z: 33 30.973 2.390 0.600 0.378 0.906 0.344 CB 1.798 33 residues pruned to eliminate duplicates Z: 19 31.757 2.467 0.806 0.486 0.889 0.667 CB 1.917 19 residues pruned to eliminate duplicates Z: 27 37.016 2.415 0.800 0.449 0.923 0.385 CA 1.908 40 residues pruned to eliminate duplicates Z: 6 5.765 1.599 0.808 0.467 1.000 1.000 N 0.922 6 residues pruned to eliminate duplicates Z: 30 36.045 2.389 0.737 0.426 0.931 0.345 CA 1.871 30 residues pruned to eliminate duplicates Z: 21 31.793 2.460 0.716 0.450 0.950 0.500 CA 1.867 21 residues pruned to eliminate duplicates Z: 26 35.080 2.430 0.864 0.415 0.880 0.440 CB 1.924 26 residues pruned to eliminate duplicates Z: 26 34.522 2.443 0.875 0.452 0.840 0.520 CA 1.885 26 residues pruned to eliminate duplicates Z: 21 35.631 2.485 0.783 0.479 0.950 0.550 CB 1.933 21 residues pruned to eliminate duplicates Z: 7 8.246 2.061 0.644 0.221 0.833 0.500 C 1.654 7 residues pruned to eliminate duplicates Z: 29 32.436 2.438 0.667 0.386 0.893 0.286 CB 1.907 29 residues pruned to eliminate duplicates Z: 20 39.582 2.553 0.895 0.494 0.947 0.526 CA 1.994 20 residues pruned to eliminate duplicates Z: 21 32.448 2.539 0.794 0.393 0.950 0.300 CA 1.879 21 residues pruned to eliminate duplicates Z: 27 33.104 2.413 0.696 0.432 0.885 0.346 CA 1.924 27 residues pruned to eliminate duplicates Z: 38 30.606 2.278 0.681 0.423 0.838 0.486 CB 1.699 47 residues pruned to eliminate duplicates Z: 26 43.953 2.519 0.950 0.492 0.920 0.520 CA 1.962 26 residues pruned to eliminate duplicates Z: 9 11.479 2.090 0.824 0.328 0.750 0.375 CB 1.713 9 residues pruned to eliminate duplicates Z: 27 30.053 2.372 0.659 0.425 0.846 0.385 CA 1.913 27 residues pruned to eliminate duplicates Z: 30 28.637 2.312 0.858 0.394 0.828 0.483 CA 1.672 30 residues pruned to eliminate duplicates Z: 8 13.264 2.263 0.913 0.371 0.857 0.429 CA 1.551 8 residues pruned to eliminate duplicates Z: 45 34.262 2.252 0.720 0.417 0.841 0.500 CB 1.730 32 residues pruned to eliminate duplicates Z: 6 3.603 1.414 0.735 0.302 0.800 0.000 CA 1.024 6 residues pruned to eliminate duplicates Z: 29 43.488 2.331 0.916 0.646 0.893 0.536 CB 1.798 29 residues pruned to eliminate duplicates Z: 30 37.638 2.326 0.942 0.637 0.793 0.586 CB 1.715 30 residues pruned to eliminate duplicates Z: 32 39.103 2.333 0.774 0.622 0.903 0.645 CB 1.674 32 residues pruned to eliminate duplicates Z: 82 58.644 2.375 0.680 0.545 0.889 0.481 CB 1.758 82 residues pruned to eliminate duplicates Z: 33 38.015 2.306 0.811 0.605 0.938 0.500 CB 1.553 33 residues pruned to eliminate duplicates Z: 57 51.465 2.371 0.675 0.629 0.929 0.607 CB 1.653 57 residues pruned to eliminate duplicates Z: 47 58.493 2.417 0.781 0.716 0.978 0.674 CB 1.684 47 residues pruned to eliminate duplicates Z: 31 42.865 2.339 0.742 0.602 1.000 0.600 CA 1.743 31 residues pruned to eliminate duplicates Z: 13 20.994 2.232 0.651 0.621 0.833 0.750 CA 1.761 13 residues pruned to eliminate duplicates Z: 24 51.093 2.453 0.905 0.816 0.913 0.826 CB 1.898 24 residues pruned to eliminate duplicates Z: 31 40.496 2.303 0.730 0.618 1.000 0.567 CA 1.659 31 residues pruned to eliminate duplicates Z: 33 41.103 2.303 0.674 0.583 1.000 0.750 CA 1.740 33 residues pruned to eliminate duplicates Z: 26 40.155 2.388 0.726 0.721 0.920 0.760 CB 1.734 26 residues pruned to eliminate duplicates Z: 26 44.065 2.421 0.742 0.707 0.960 0.720 CB 1.804 26 residues pruned to eliminate duplicates Z: 25 46.343 2.464 0.762 0.750 0.917 0.708 CB 1.902 25 residues pruned to eliminate duplicates Z: 27 41.340 2.339 0.679 0.742 0.962 0.692 CA 1.729 27 residues pruned to eliminate duplicates Z: 21 45.366 2.433 0.931 0.821 0.950 0.800 CA 1.720 21 residues pruned to eliminate duplicates Z: 22 43.780 2.456 0.756 0.793 0.905 0.810 CA 1.894 22 residues pruned to eliminate duplicates Z: 33 36.039 2.332 0.630 0.602 0.969 0.625 CB 1.570 33 residues pruned to eliminate duplicates Z: 26 38.742 2.366 0.696 0.702 0.960 0.760 CB 1.673 26 residues pruned to eliminate duplicates Z: 30 37.159 2.356 0.576 0.603 0.966 0.690 CA 1.745 30 residues pruned to eliminate duplicates Z: 29 38.113 2.373 0.539 0.631 1.000 0.643 CB 1.744 29 residues pruned to eliminate duplicates Z: 32 34.667 2.326 0.504 0.603 0.968 0.774 CB 1.667 32 residues pruned to eliminate duplicates Z: 81 60.162 2.364 0.604 0.621 0.950 0.650 CB 1.666 81 residues pruned to eliminate duplicates Z: 81 60.643 2.383 0.575 0.627 0.975 0.675 CB 1.643 81 residues pruned to eliminate duplicates Z: 136 74.349 2.337 0.714 0.590 0.926 0.585 CB 1.584 136 residues pruned to eliminate duplicates Z: 59 42.688 2.309 0.511 0.583 0.931 0.638 CB 1.594 59 residues pruned to eliminate duplicates Z: 32 38.120 2.397 0.724 0.619 0.968 0.645 CB 1.530 32 residues pruned to eliminate duplicates Z: 52 41.129 2.326 0.601 0.603 0.941 0.608 CB 1.489 52 residues pruned to eliminate duplicates Z: 50 54.363 2.425 0.717 0.672 0.939 0.673 CB 1.696 50 residues pruned to eliminate duplicates Z: 54 50.268 2.403 0.621 0.644 0.962 0.623 CB 1.611 54 residues pruned to eliminate duplicates Z: 80 59.747 2.381 0.595 0.614 0.962 0.620 CB 1.652 80 residues pruned to eliminate duplicates Z: 31 36.664 2.388 0.634 0.642 0.967 0.633 CB 1.554 31 residues pruned to eliminate duplicates Z: 57 47.433 2.349 0.611 0.619 0.946 0.607 CB 1.581 57 residues pruned to eliminate duplicates Z: 55 43.221 2.348 0.631 0.591 0.926 0.593 CB 1.520 55 residues pruned to eliminate duplicates Z: 28 36.486 2.384 0.662 0.620 1.000 0.556 CB 1.583 28 residues pruned to eliminate duplicates Z: 60 60.975 2.435 0.771 0.660 0.966 0.610 CB 1.643 60 residues pruned to eliminate duplicates Z: 113 68.677 2.310 0.688 0.625 0.946 0.652 CB 1.563 113 residues pruned to eliminate duplicates Z: 36 47.049 2.428 0.733 0.679 0.971 0.686 CB 1.650 36 residues pruned to eliminate duplicates Z: 56 58.639 2.375 0.720 0.645 1.000 0.709 CB 1.691 57 residues pruned to eliminate duplicates Z: 40 40.864 2.325 0.451 0.787 0.923 0.692 CB 1.632 40 residues pruned to eliminate duplicates Z: 29 37.052 2.402 0.650 0.604 1.000 0.607 CB 1.600 29 residues pruned to eliminate duplicates Z: 76 60.835 2.393 0.581 0.640 0.973 0.720 CB 1.674 76 residues pruned to eliminate duplicates Z: 79 63.373 2.406 0.697 0.610 0.949 0.654 CB 1.669 79 residues pruned to eliminate duplicates Z: 12 15.441 2.342 0.732 0.306 1.000 0.727 CB 1.423 12 residues pruned to eliminate duplicates Z: 81 63.651 2.403 0.667 0.605 0.975 0.688 CB 1.650 81 residues pruned to eliminate duplicates Z: 79 55.936 2.406 0.539 0.615 0.936 0.654 CB 1.639 79 residues pruned to eliminate duplicates Z: 31 40.690 2.399 0.726 0.628 1.000 0.700 CB 1.591 31 residues pruned to eliminate duplicates Z: 111 61.792 2.306 0.572 0.602 0.918 0.673 CB 1.606 111 residues pruned to eliminate duplicates Z: 72 64.330 2.437 0.662 0.669 0.972 0.704 CB 1.659 72 residues pruned to eliminate duplicates Z: 71 68.067 2.426 0.736 0.683 0.971 0.743 CB 1.682 71 residues pruned to eliminate duplicates Z: 53 45.322 2.393 0.625 0.619 0.942 0.654 CB 1.533 53 residues pruned to eliminate duplicates Z: 80 64.534 2.394 0.650 0.624 0.975 0.646 CB 1.678 80 residues pruned to eliminate duplicates Z: 26 34.204 2.389 0.699 0.603 0.960 0.680 CB 1.592 26 residues pruned to eliminate duplicates Z: 74 61.742 2.417 0.669 0.653 0.945 0.671 CB 1.644 74 residues pruned to eliminate duplicates Z: 80 60.443 2.386 0.632 0.624 0.949 0.658 CB 1.636 80 residues pruned to eliminate duplicates Z: 30 31.290 2.251 0.716 0.608 0.897 0.690 CB 1.515 30 residues pruned to eliminate duplicates Z: 68 53.750 2.350 0.737 0.561 0.940 0.567 CB 1.613 68 residues pruned to eliminate duplicates Z: 109 67.053 2.332 0.589 0.630 0.954 0.667 CB 1.614 109 residues pruned to eliminate duplicates Z: 69 50.041 2.321 0.690 0.608 0.897 0.618 CB 1.557 69 residues pruned to eliminate duplicates Z: 55 49.842 2.405 0.700 0.619 0.944 0.685 CB 1.570 55 residues pruned to eliminate duplicates Z: 56 41.722 2.339 0.570 0.563 0.927 0.600 CB 1.555 56 residues pruned to eliminate duplicates Z: 91 52.985 2.298 0.669 0.548 0.900 0.633 CB 1.544 91 residues pruned to eliminate duplicates Z: 83 58.956 2.337 0.696 0.638 0.939 0.744 CB 1.536 83 residues pruned to eliminate duplicates Z: 87 55.775 2.329 0.644 0.568 0.919 0.651 CB 1.602 87 residues pruned to eliminate duplicates Z: 108 67.798 2.318 0.661 0.631 0.935 0.673 CB 1.610 108 residues pruned to eliminate duplicates Z: 54 43.622 2.307 0.702 0.610 0.925 0.623 CB 1.487 54 residues pruned to eliminate duplicates Z: 80 65.370 2.388 0.739 0.615 0.987 0.684 CB 1.609 80 residues pruned to eliminate duplicates Z: 60 42.650 2.227 0.703 0.610 0.881 0.678 CB 1.496 60 residues pruned to eliminate duplicates Z: 57 51.262 2.375 0.821 0.596 0.946 0.625 CB 1.527 57 residues pruned to eliminate duplicates Z: 75 58.972 2.377 0.726 0.633 0.932 0.622 CB 1.583 75 residues pruned to eliminate duplicates Z: 27 42.469 2.314 1.005 0.629 0.962 0.654 CB 1.653 27 residues pruned to eliminate duplicates Z: 25 36.796 2.368 0.948 0.631 0.958 0.625 CB 1.503 25 residues pruned to eliminate duplicates Z: 40 30.680 2.080 0.727 0.579 0.923 0.538 CB 1.373 57 residues pruned to eliminate duplicates Z: 16 17.925 2.282 0.783 0.374 0.867 0.533 CB 1.501 16 residues pruned to eliminate duplicates Z: 57 44.886 2.223 0.678 0.579 0.946 0.571 CB 1.575 57 residues pruned to eliminate duplicates Z: 37 31.182 2.106 0.623 0.628 0.944 0.722 CB 1.428 Z: 6 4.631 1.811 1.011 0.240 0.800 0.600 CA 0.961 6 residues pruned to eliminate duplicates Z: 16 22.633 2.145 1.078 0.463 0.867 0.600 CB 1.571 53 residues pruned to eliminate duplicates Z: 39 30.558 2.088 0.697 0.599 0.868 0.632 CB 1.466 Z: 114 70.221 2.288 0.763 0.621 0.929 0.690 CB 1.572 153 residues pruned to eliminate duplicates Z: 56 44.144 2.232 0.714 0.591 0.891 0.673 CB 1.602 56 residues pruned to eliminate duplicates Z: 33 32.475 2.113 0.845 0.642 0.844 0.688 CB 1.529 Z: 17 27.976 2.032 0.571 0.937 1.000 0.875 CB 1.524 19 residues pruned to eliminate duplicates Z: 16 23.937 2.055 0.359 0.923 1.000 0.867 CB 1.555 16 residues pruned to eliminate duplicates Z: 34 35.208 2.100 0.779 0.671 0.939 0.727 CB 1.491 65 residues pruned to eliminate duplicates Z: 31 36.340 2.174 0.809 0.688 0.900 0.633 CB 1.578 31 residues pruned to eliminate duplicates Z: 53 55.253 2.273 0.933 0.637 0.923 0.635 CB 1.662 53 residues pruned to eliminate duplicates Z: 38 29.405 2.087 0.729 0.579 0.838 0.595 CB 1.482 38 residues pruned to eliminate duplicates Z: 79 57.430 2.266 0.826 0.603 0.936 0.615 CB 1.523 79 residues pruned to eliminate duplicates Z: 26 21.610 1.985 0.549 0.633 0.880 0.680 CB 1.410 Z: 41 32.800 1.997 0.845 0.597 0.900 0.725 CB 1.426 28 residues pruned to eliminate duplicates Z: 35 32.322 2.108 0.784 0.637 0.882 0.618 CB 1.470 36 residues pruned to eliminate duplicates Z: 18 30.813 1.994 0.701 0.909 1.000 0.706 CB 1.564 23 residues pruned to eliminate duplicates Z: 16 31.998 2.070 0.848 0.928 1.000 0.667 CB 1.513 16 residues pruned to eliminate duplicates Z: 33 37.444 2.143 0.862 0.652 0.938 0.688 CB 1.535 66 residues pruned to eliminate duplicates Z: 36 28.720 2.024 0.781 0.601 0.857 0.629 CB 1.427 36 residues pruned to eliminate duplicates Z: 27 21.964 1.925 0.669 0.588 0.923 0.538 CB 1.335 Z: 6 8.881 1.981 0.698 0.327 1.000 0.800 CA 1.428 6 residues pruned to eliminate duplicates Z: 33 35.908 2.412 0.742 0.417 0.906 0.594 CB 1.818 33 residues pruned to eliminate duplicates Z: 31 27.777 2.340 0.502 0.449 0.933 0.433 CB 1.629 31 residues pruned to eliminate duplicates Z: 33 30.644 2.392 0.670 0.413 0.844 0.531 CB 1.762 33 residues pruned to eliminate duplicates Z: 67 49.282 2.245 0.779 0.541 0.894 0.500 CB 1.633 94 residues pruned to eliminate duplicates Z: 31 37.208 2.461 0.764 0.490 0.900 0.600 CB 1.756 31 residues pruned to eliminate duplicates Z: 30 38.729 2.504 0.714 0.505 0.931 0.655 CB 1.791 30 residues pruned to eliminate duplicates Z: 32 32.560 2.412 0.603 0.482 0.871 0.613 CB 1.769 32 residues pruned to eliminate duplicates Z: 40 34.137 2.327 0.711 0.458 0.872 0.538 CB 1.643 40 residues pruned to eliminate duplicates Z: 32 39.601 2.433 0.743 0.509 0.935 0.742 CB 1.777 32 residues pruned to eliminate duplicates Z: 20 39.718 2.579 0.836 0.569 0.947 0.684 CB 1.900 20 residues pruned to eliminate duplicates Z: 32 32.185 2.402 0.600 0.466 0.903 0.581 CB 1.723 32 residues pruned to eliminate duplicates Z: 31 38.442 2.458 0.811 0.532 0.933 0.600 CB 1.638 31 residues pruned to eliminate duplicates Z: 31 41.246 2.457 0.771 0.491 0.967 0.667 CB 1.806 31 residues pruned to eliminate duplicates Z: 31 46.882 2.448 0.850 0.566 1.000 0.733 CB 1.774 31 residues pruned to eliminate duplicates Z: 31 36.753 2.401 0.743 0.492 0.900 0.733 CB 1.796 31 residues pruned to eliminate duplicates Z: 31 40.822 2.481 0.677 0.518 1.000 0.567 CB 1.759 31 residues pruned to eliminate duplicates Z: 32 35.265 2.389 0.606 0.503 0.968 0.613 CB 1.700 32 residues pruned to eliminate duplicates Z: 47 53.309 2.467 0.866 0.571 0.891 0.674 CB 1.790 47 residues pruned to eliminate duplicates Z: 61 60.162 2.407 0.794 0.582 0.950 0.550 CB 1.749 61 residues pruned to eliminate duplicates Z: 7 4.042 1.765 0.190 0.281 0.833 0.500 CA 1.208 7 residues pruned to eliminate duplicates Z: 31 37.606 2.459 0.644 0.516 0.933 0.633 CB 1.791 31 residues pruned to eliminate duplicates Z: 32 38.526 2.451 0.716 0.499 0.968 0.677 CB 1.701 32 residues pruned to eliminate duplicates Z: 33 35.164 2.376 0.554 0.505 0.938 0.656 CB 1.786 33 residues pruned to eliminate duplicates Z: 33 37.306 2.365 0.740 0.496 0.906 0.625 CB 1.775 33 residues pruned to eliminate duplicates Z: 35 32.169 2.261 0.723 0.605 0.853 0.794 CB 1.502 35 residues pruned to eliminate duplicates Z: 34 32.608 2.338 0.578 0.461 0.909 0.545 CB 1.760 34 residues pruned to eliminate duplicates Z: 7 6.897 1.953 0.328 0.538 0.833 0.667 CB 1.255 7 residues pruned to eliminate duplicates Z: 48 54.575 2.445 0.834 0.612 0.915 0.681 CB 1.745 48 residues pruned to eliminate duplicates Z: 17 33.844 2.385 1.142 0.757 0.875 0.500 CB 1.506 17 residues pruned to eliminate duplicates Z: 18 32.951 2.392 0.981 0.735 0.824 0.588 CB 1.659 18 residues pruned to eliminate duplicates Z: 17 42.965 2.499 1.113 0.766 0.938 0.688 CB 1.713 17 residues pruned to eliminate duplicates Z: 18 40.723 2.425 1.234 0.743 0.882 0.588 CB 1.662 18 residues pruned to eliminate duplicates Z: 18 38.325 2.333 1.077 0.727 1.000 0.824 CB 1.562 18 residues pruned to eliminate duplicates Z: 28 53.656 2.448 0.954 0.680 1.000 0.704 CB 1.828 28 residues pruned to eliminate duplicates Z: 17 37.044 2.391 1.090 0.749 0.938 0.812 CB 1.583 17 residues pruned to eliminate duplicates Z: 27 38.235 2.392 0.855 0.628 0.885 0.731 CB 1.693 27 residues pruned to eliminate duplicates Z: 29 48.478 2.377 0.871 0.658 1.000 0.714 CB 1.779 29 residues pruned to eliminate duplicates Z: 16 43.280 2.369 1.011 0.918 1.000 0.867 CB 1.655 16 residues pruned to eliminate duplicates Z: 30 40.388 2.341 0.777 0.625 0.931 0.690 CB 1.721 30 residues pruned to eliminate duplicates Z: 29 42.563 2.382 0.795 0.616 0.964 0.714 CB 1.749 29 residues pruned to eliminate duplicates Z: 29 44.945 2.399 0.843 0.635 0.964 0.750 CB 1.756 29 residues pruned to eliminate duplicates Z: 27 42.750 2.462 0.827 0.606 0.923 0.731 CB 1.827 27 residues pruned to eliminate duplicates Z: 27 45.278 2.445 0.845 0.633 0.962 0.692 CB 1.808 27 residues pruned to eliminate duplicates Z: 28 41.322 2.438 0.810 0.624 0.889 0.741 CB 1.804 28 residues pruned to eliminate duplicates Z: 29 43.474 2.372 0.834 0.615 0.964 0.679 CB 1.758 29 residues pruned to eliminate duplicates Z: 28 50.084 2.442 0.923 0.656 1.000 0.704 CB 1.775 28 residues pruned to eliminate duplicates Z: 29 41.709 2.360 0.788 0.596 0.964 0.679 CB 1.768 29 residues pruned to eliminate duplicates Z: 29 44.723 2.381 0.845 0.632 0.964 0.679 CB 1.762 29 residues pruned to eliminate duplicates Z: 28 44.720 2.422 0.778 0.612 1.000 0.667 CB 1.798 28 residues pruned to eliminate duplicates Z: 33 24.258 2.102 0.623 0.424 0.875 0.344 CB 1.554 33 residues pruned to eliminate duplicates Z: 31 27.662 2.331 0.575 0.509 0.800 0.633 CB 1.704 31 residues pruned to eliminate duplicates Z: 16 14.855 1.859 0.281 0.932 1.000 0.933 CB 1.124 15 residues pruned to eliminate duplicates Z: 14 11.167 1.873 0.043 0.916 1.000 0.846 CB 1.119 14 residues pruned to eliminate duplicates Z: 16 15.277 1.864 0.331 0.921 1.000 0.867 CB 1.119 16 residues pruned to eliminate duplicates Z: 15 16.759 1.896 0.472 0.920 1.000 0.857 CB 1.130 15 residues pruned to eliminate duplicates Z: 15 17.260 1.882 0.524 0.908 1.000 0.929 CB 1.142 15 residues pruned to eliminate duplicates Z: 15 16.046 1.883 0.394 0.915 1.000 0.857 CB 1.155 15 residues pruned to eliminate duplicates Z: 15 15.473 1.892 0.362 0.931 1.000 0.857 CB 1.121 15 residues pruned to eliminate duplicates Z: 15 16.519 1.872 0.485 0.919 1.000 0.786 CB 1.119 15 residues pruned to eliminate duplicates Z: 15 14.841 1.885 0.364 0.928 1.000 0.857 CB 1.080 15 residues pruned to eliminate duplicates Z: 16 18.579 1.863 0.607 0.928 1.000 0.867 CB 1.122 16 residues pruned to eliminate duplicates Z: 15 18.523 1.889 0.574 0.939 1.000 0.857 CB 1.157 15 residues pruned to eliminate duplicates Z: 14 17.765 1.927 0.553 0.931 1.000 0.846 CB 1.150 14 residues pruned to eliminate duplicates Z: 16 16.160 1.861 0.462 0.928 1.000 0.800 CB 1.074 16 residues pruned to eliminate duplicates Z: 15 16.684 1.889 0.501 0.907 1.000 0.714 CB 1.118 15 residues pruned to eliminate duplicates Z: 13 22.637 2.291 0.630 0.497 1.000 0.750 CB 1.754 13 residues pruned to eliminate duplicates Z: 6 7.988 1.775 0.494 0.485 1.000 1.000 C 1.367 6 residues pruned to eliminate duplicates Z: 14 20.564 2.175 0.781 0.447 0.923 0.769 CB 1.683 14 residues pruned to eliminate duplicates Z: 15 19.970 2.106 0.692 0.419 1.000 0.714 CB 1.630 14 residues pruned to eliminate duplicates Z: 6 4.193 1.671 0.261 0.275 1.000 0.600 CA 1.149 6 residues pruned to eliminate duplicates Z: 14 24.095 2.244 0.902 0.414 1.000 0.846 CB 1.714 13 residues pruned to eliminate duplicates Z: 6 7.123 2.131 0.494 0.397 1.000 0.200 CB 1.116 6 residues pruned to eliminate duplicates Z: 39 40.005 2.250 0.881 0.634 0.895 0.711 CB 1.511 39 residues pruned to eliminate duplicates Z: 41 36.690 2.158 0.723 0.638 0.950 0.600 CB 1.443 41 residues pruned to eliminate duplicates Z: 30 36.489 2.235 0.807 0.640 0.897 0.655 CB 1.642 30 residues pruned to eliminate duplicates Z: 40 41.350 2.234 0.806 0.618 0.974 0.692 CB 1.506 40 residues pruned to eliminate duplicates Z: 30 37.218 2.276 0.657 0.652 0.966 0.655 CB 1.647 30 residues pruned to eliminate duplicates Z: 31 34.177 2.244 0.667 0.588 0.933 0.733 CB 1.643 31 residues pruned to eliminate duplicates Z: 43 37.173 2.150 0.591 0.702 0.952 0.714 CB 1.464 43 residues pruned to eliminate duplicates Z: 30 38.221 2.242 0.731 0.645 0.966 0.690 CB 1.655 30 residues pruned to eliminate duplicates Z: 44 33.538 2.119 0.527 0.656 0.907 0.651 CB 1.508 44 residues pruned to eliminate duplicates Z: 30 38.372 2.286 0.670 0.666 0.931 0.793 CB 1.718 30 residues pruned to eliminate duplicates Z: 30 32.877 2.288 0.537 0.605 0.931 0.655 CB 1.688 30 residues pruned to eliminate duplicates Z: 30 37.036 2.259 0.646 0.637 1.000 0.690 CB 1.626 30 residues pruned to eliminate duplicates Z: 31 33.683 2.230 0.626 0.602 0.900 0.667 CB 1.710 31 residues pruned to eliminate duplicates Z: 22 37.952 2.254 0.864 0.796 0.905 0.810 CB 1.681 22 residues pruned to eliminate duplicates Z: 42 38.204 2.181 0.633 0.635 0.976 0.707 CB 1.513 42 residues pruned to eliminate duplicates Z: 41 39.400 2.192 0.710 0.627 0.975 0.675 CB 1.512 41 residues pruned to eliminate duplicates Z: 32 30.597 2.154 0.750 0.574 0.839 0.645 CA 1.619 32 residues pruned to eliminate duplicates Z: 21 42.906 2.298 0.937 0.836 0.950 0.800 CB 1.698 21 residues pruned to eliminate duplicates Z: 53 42.854 2.135 0.752 0.698 0.923 0.769 CB 1.437 56 residues pruned to eliminate duplicates Z: 21 38.743 2.228 0.724 0.898 0.950 0.800 CB 1.698 21 residues pruned to eliminate duplicates Z: 31 34.676 2.272 0.527 0.590 0.967 0.767 CB 1.733 31 residues pruned to eliminate duplicates Z: 30 39.330 2.259 0.649 0.638 1.000 0.655 CB 1.722 30 residues pruned to eliminate duplicates Z: 32 33.793 2.266 0.592 0.574 0.935 0.710 CB 1.676 32 residues pruned to eliminate duplicates Z: 41 33.271 2.122 0.515 0.625 0.975 0.675 CB 1.492 41 residues pruned to eliminate duplicates Z: 49 40.033 2.174 0.754 0.575 0.958 0.667 CB 1.471 49 residues pruned to eliminate duplicates Z: 41 38.964 2.199 0.722 0.593 0.900 0.675 CB 1.655 41 residues pruned to eliminate duplicates Z: 46 40.375 2.137 0.725 0.563 0.933 0.667 CB 1.647 46 residues pruned to eliminate duplicates Z: 42 37.466 2.151 0.704 0.572 0.927 0.634 CB 1.606 42 residues pruned to eliminate duplicates Z: 47 39.894 2.166 0.705 0.543 0.957 0.587 CB 1.596 47 residues pruned to eliminate duplicates Z: 16 20.062 2.033 0.807 0.494 0.933 0.533 CB 1.520 16 residues pruned to eliminate duplicates Z: 54 44.337 2.185 0.831 0.530 0.925 0.585 CB 1.598 54 residues pruned to eliminate duplicates Z: 7 3.615 1.889 0.149 0.311 0.833 0.333 CA 1.006 7 residues pruned to eliminate duplicates Z: 17 17.113 2.004 0.644 0.460 0.938 0.625 CA 1.444 17 residues pruned to eliminate duplicates Z: 41 40.225 2.200 0.722 0.596 0.925 0.675 CB 1.656 41 residues pruned to eliminate duplicates Z: 17 13.840 1.962 0.550 0.509 0.812 0.625 CA 1.388 17 residues pruned to eliminate duplicates Z: 32 36.355 2.119 0.628 0.737 0.968 0.774 CB 1.581 32 residues pruned to eliminate duplicates Z: 13 10.080 1.692 0.528 0.520 0.917 0.583 CA 1.204 13 residues pruned to eliminate duplicates Z: 62 49.741 2.261 0.708 0.539 0.918 0.590 CB 1.729 66 residues pruned to eliminate duplicates Z: 6 3.712 1.520 0.315 0.442 0.800 0.600 CB 1.102 6 residues pruned to eliminate duplicates Z: 32 42.891 2.460 0.906 0.458 0.935 0.452 CB 1.833 32 residues pruned to eliminate duplicates Z: 32 38.599 2.478 0.750 0.443 0.935 0.419 CB 1.813 32 residues pruned to eliminate duplicates Z: 40 39.928 2.363 0.733 0.451 0.923 0.359 CB 1.778 40 residues pruned to eliminate duplicates Z: 28 36.907 2.518 1.056 0.377 0.852 0.370 CB 1.837 28 residues pruned to eliminate duplicates Z: 38 41.726 2.417 0.745 0.447 0.946 0.405 CB 1.816 38 residues pruned to eliminate duplicates Z: 23 33.765 2.497 0.856 0.381 0.955 0.364 CB 1.847 23 residues pruned to eliminate duplicates Z: 32 38.913 2.458 0.797 0.411 0.935 0.387 CB 1.857 32 residues pruned to eliminate duplicates Z: 35 36.748 2.347 0.785 0.405 0.912 0.382 CB 1.824 35 residues pruned to eliminate duplicates Z: 32 42.370 2.496 0.886 0.437 0.903 0.419 CB 1.910 32 residues pruned to eliminate duplicates Z: 31 17.150 2.052 0.660 0.360 0.800 0.400 CB 1.336 31 residues pruned to eliminate duplicates Z: 36 36.225 2.372 0.807 0.404 0.886 0.429 CB 1.784 36 residues pruned to eliminate duplicates Z: 33 37.935 2.487 0.898 0.438 0.844 0.469 CB 1.795 33 residues pruned to eliminate duplicates Z: 36 43.650 2.425 0.960 0.471 0.886 0.543 CB 1.805 36 residues pruned to eliminate duplicates Z: 52 48.978 2.404 0.810 0.496 0.882 0.549 CB 1.794 52 residues pruned to eliminate duplicates Z: 35 35.298 2.366 0.817 0.422 0.824 0.412 CA 1.854 35 residues pruned to eliminate duplicates Z: 9 11.252 2.246 0.949 0.308 0.750 0.500 CA 1.501 9 residues pruned to eliminate duplicates Z: 26 37.293 2.529 0.997 0.445 0.840 0.440 CB 1.862 26 residues pruned to eliminate duplicates Z: 9 10.953 2.253 1.302 0.267 0.625 0.000 CB 1.558 9 residues pruned to eliminate duplicates Z: 51 39.534 2.265 0.868 0.438 0.840 0.480 CB 1.677 66 residues pruned to eliminate duplicates Z: 16 19.105 2.274 1.191 0.424 0.667 0.333 CB 1.607 16 residues pruned to eliminate duplicates Z: 13 15.443 2.110 0.736 0.472 0.833 0.500 CB 1.502 13 residues pruned to eliminate duplicates Z: 16 21.598 2.263 0.880 0.530 0.800 0.400 CB 1.589 16 residues pruned to eliminate duplicates Z: 13 22.063 2.185 0.717 0.630 0.917 0.583 CA 1.639 13 residues pruned to eliminate duplicates Z: 33 48.198 2.502 0.977 0.492 0.938 0.438 CB 1.852 33 residues pruned to eliminate duplicates Z: 17 22.043 2.203 0.873 0.453 0.812 0.438 CB 1.724 17 residues pruned to eliminate duplicates Z: 89 49.090 2.216 0.838 0.526 0.841 0.523 CB 1.489 89 residues pruned to eliminate duplicates Z: 76 47.647 2.183 0.852 0.547 0.867 0.573 CB 1.501 76 residues pruned to eliminate duplicates Z: 51 36.889 2.192 0.732 0.529 0.880 0.580 CB 1.517 51 residues pruned to eliminate duplicates Z: 38 28.170 2.163 0.716 0.464 0.838 0.514 CB 1.545 38 residues pruned to eliminate duplicates Z: 25 31.807 2.335 0.780 0.629 0.875 0.583 CB 1.581 25 residues pruned to eliminate duplicates Z: 99 50.231 2.111 0.747 0.573 0.898 0.571 CB 1.427 99 residues pruned to eliminate duplicates Z: 39 32.853 2.160 0.760 0.526 0.921 0.658 CB 1.483 39 residues pruned to eliminate duplicates Z: 119 50.245 2.133 0.688 0.533 0.864 0.542 CB 1.439 119 residues pruned to eliminate duplicates Z: 46 29.852 2.109 0.690 0.479 0.844 0.511 CB 1.511 46 residues pruned to eliminate duplicates Z: 29 21.195 2.035 0.583 0.518 0.857 0.500 CB 1.425 29 residues pruned to eliminate duplicates Z: 51 33.159 2.108 0.812 0.467 0.860 0.520 CB 1.477 51 residues pruned to eliminate duplicates Z: 31 29.031 2.232 0.770 0.563 0.833 0.533 CB 1.515 31 residues pruned to eliminate duplicates Z: 76 49.215 2.159 0.789 0.570 0.947 0.613 CB 1.452 76 residues pruned to eliminate duplicates Z: 100 49.500 2.082 0.726 0.554 0.929 0.626 CB 1.413 100 residues pruned to eliminate duplicates Z: 73 46.772 2.178 0.777 0.570 0.931 0.500 CB 1.430 73 residues pruned to eliminate duplicates Z: 51 35.379 2.206 0.753 0.453 0.840 0.540 CB 1.616 51 residues pruned to eliminate duplicates Z: 44 35.468 2.180 0.748 0.483 0.907 0.581 CB 1.592 44 residues pruned to eliminate duplicates Z: 73 48.154 2.183 0.828 0.576 0.917 0.625 CB 1.443 73 residues pruned to eliminate duplicates Z: 92 51.467 2.192 0.769 0.538 0.868 0.560 CB 1.545 92 residues pruned to eliminate duplicates Z: 100 45.240 2.062 0.670 0.559 0.909 0.606 CB 1.371 100 residues pruned to eliminate duplicates Z: 32 27.779 2.210 0.660 0.490 0.903 0.548 CB 1.521 32 residues pruned to eliminate duplicates Z: 38 31.668 2.158 0.728 0.498 0.919 0.595 CB 1.523 38 residues pruned to eliminate duplicates Z: 75 45.533 2.136 0.775 0.559 0.919 0.541 CB 1.435 75 residues pruned to eliminate duplicates Z: 26 26.131 2.223 0.634 0.606 0.840 0.440 CB 1.550 26 residues pruned to eliminate duplicates Z: 36 32.597 2.199 0.750 0.548 0.857 0.600 CB 1.593 36 residues pruned to eliminate duplicates Z: 36 36.275 2.253 0.720 0.583 0.886 0.600 CB 1.649 36 residues pruned to eliminate duplicates Z: 130 68.699 2.263 0.823 0.546 0.899 0.605 CB 1.559 130 residues pruned to eliminate duplicates Z: 32 29.497 2.190 0.668 0.547 0.871 0.548 CB 1.590 32 residues pruned to eliminate duplicates Z: 8 12.350 2.138 0.922 0.503 0.857 0.571 CA 1.322 8 residues pruned to eliminate duplicates Z: 113 63.243 2.268 0.831 0.538 0.902 0.571 CB 1.537 113 residues pruned to eliminate duplicates Z: 16 21.946 2.216 0.865 0.537 0.933 0.533 CB 1.417 16 residues pruned to eliminate duplicates Z: 15 17.158 2.192 0.792 0.501 0.857 0.571 CB 1.361 15 residues pruned to eliminate duplicates Z: 103 63.643 2.293 0.788 0.590 0.912 0.471 CB 1.547 103 residues pruned to eliminate duplicates Z: 9 8.923 2.208 0.972 0.482 0.625 0.500 CB 1.180 9 residues pruned to eliminate duplicates Z: 17 16.443 2.130 0.839 0.535 0.875 0.562 CB 1.160 17 residues pruned to eliminate duplicates Z: 68 56.776 2.374 0.768 0.568 0.970 0.537 CB 1.595 68 residues pruned to eliminate duplicates Z: 64 63.852 2.392 0.897 0.608 0.968 0.667 CB 1.653 64 residues pruned to eliminate duplicates Z: 85 58.249 2.265 0.871 0.560 0.917 0.548 CB 1.543 85 residues pruned to eliminate duplicates Z: 85 53.450 2.297 0.743 0.547 0.905 0.571 CB 1.537 85 residues pruned to eliminate duplicates Z: 68 57.772 2.383 0.831 0.580 0.940 0.612 CB 1.593 68 residues pruned to eliminate duplicates Z: 102 64.999 2.275 0.823 0.558 0.970 0.644 CB 1.520 102 residues pruned to eliminate duplicates Z: 52 42.063 2.301 0.872 0.485 0.941 0.569 CB 1.475 52 residues pruned to eliminate duplicates Z: 81 51.524 2.311 0.784 0.515 0.900 0.525 CB 1.530 81 residues pruned to eliminate duplicates Z: 83 57.270 2.301 0.877 0.558 0.915 0.573 CB 1.513 83 residues pruned to eliminate duplicates Z: 76 54.952 2.351 0.795 0.546 0.893 0.547 CB 1.609 76 residues pruned to eliminate duplicates Z: 96 63.264 2.291 0.844 0.574 0.937 0.558 CB 1.527 96 residues pruned to eliminate duplicates Z: 76 52.653 2.297 0.720 0.578 0.933 0.613 CB 1.530 76 residues pruned to eliminate duplicates Z: 65 64.974 2.384 0.950 0.612 0.969 0.578 CB 1.623 65 residues pruned to eliminate duplicates Z: 101 63.459 2.271 0.846 0.560 0.910 0.570 CB 1.569 101 residues pruned to eliminate duplicates Z: 93 59.040 2.267 0.885 0.538 0.913 0.598 CB 1.521 93 residues pruned to eliminate duplicates Z: 110 57.823 2.252 0.735 0.537 0.908 0.541 CB 1.504 110 residues pruned to eliminate duplicates Z: 110 67.750 2.264 0.920 0.557 0.936 0.642 CB 1.509 110 residues pruned to eliminate duplicates Z: 80 57.985 2.347 0.792 0.572 0.924 0.582 CB 1.566 80 residues pruned to eliminate duplicates Z: 66 60.215 2.381 0.844 0.586 0.954 0.615 CB 1.643 66 residues pruned to eliminate duplicates Z: 83 56.544 2.348 0.792 0.553 0.915 0.549 CB 1.541 83 residues pruned to eliminate duplicates Z: 93 61.357 2.277 0.816 0.556 0.946 0.576 CB 1.549 93 residues pruned to eliminate duplicates Z: 110 61.203 2.240 0.856 0.545 0.899 0.569 CB 1.501 110 residues pruned to eliminate duplicates Z: 94 62.031 2.293 0.843 0.564 0.914 0.602 CB 1.566 94 residues pruned to eliminate duplicates Z: 71 48.205 2.243 0.829 0.495 0.929 0.586 CB 1.520 71 residues pruned to eliminate duplicates Z: 71 46.513 2.308 0.769 0.536 0.857 0.629 CB 1.534 71 residues pruned to eliminate duplicates Z: 77 59.531 2.346 0.872 0.557 0.934 0.553 CB 1.575 77 residues pruned to eliminate duplicates Z: 93 66.496 2.295 0.855 0.566 0.946 0.663 CB 1.616 93 residues pruned to eliminate duplicates Z: 83 60.311 2.340 0.895 0.578 0.902 0.634 CB 1.544 83 residues pruned to eliminate duplicates Z: 67 56.671 2.371 0.829 0.577 0.924 0.591 CB 1.617 67 residues pruned to eliminate duplicates Z: 92 68.382 2.311 0.929 0.568 0.956 0.637 CB 1.575 92 residues pruned to eliminate duplicates Z: 103 64.693 2.280 0.844 0.559 0.931 0.627 CB 1.545 103 residues pruned to eliminate duplicates Z: 50 38.226 2.288 0.706 0.504 0.939 0.510 CB 1.484 50 residues pruned to eliminate duplicates Z: 73 58.320 2.386 0.876 0.563 0.917 0.486 CB 1.577 73 residues pruned to eliminate duplicates Z: 93 65.931 2.286 0.834 0.579 0.967 0.652 CB 1.571 93 residues pruned to eliminate duplicates Z: 94 59.750 2.278 0.731 0.547 0.968 0.624 CB 1.550 94 residues pruned to eliminate duplicates Z: 76 57.230 2.347 0.876 0.554 0.907 0.573 CB 1.570 76 residues pruned to eliminate duplicates Z: 61 45.484 2.199 0.796 0.598 0.917 0.717 CB 1.477 61 residues pruned to eliminate duplicates Z: 74 59.403 2.381 0.805 0.583 0.932 0.630 CB 1.604 74 residues pruned to eliminate duplicates Z: 93 58.787 2.282 0.816 0.533 0.924 0.587 CB 1.549 93 residues pruned to eliminate duplicates Z: 66 59.725 2.394 0.833 0.602 0.954 0.615 CB 1.606 66 residues pruned to eliminate duplicates Z: 97 63.552 2.282 0.900 0.561 0.927 0.656 CB 1.521 97 residues pruned to eliminate duplicates Z: 75 57.221 2.325 0.867 0.574 0.919 0.568 CB 1.553 75 residues pruned to eliminate duplicates Z: 75 58.646 2.355 0.866 0.573 0.932 0.622 CB 1.551 75 residues pruned to eliminate duplicates Z: 68 64.271 2.389 0.941 0.585 0.985 0.597 CB 1.585 68 residues pruned to eliminate duplicates Z: 61 45.484 2.216 0.786 0.569 0.900 0.667 CB 1.542 61 residues pruned to eliminate duplicates Z: 36 39.510 2.327 0.819 0.633 0.914 0.600 CB 1.524 36 residues pruned to eliminate duplicates Z: 66 59.058 2.362 0.909 0.599 0.923 0.631 CB 1.602 66 residues pruned to eliminate duplicates Z: 33 40.775 2.355 0.800 0.645 0.969 0.594 CB 1.534 33 residues pruned to eliminate duplicates Z: 83 56.872 2.334 0.801 0.556 0.939 0.610 CB 1.507 83 residues pruned to eliminate duplicates Z: 109 60.625 2.259 0.771 0.556 0.917 0.602 CB 1.507 109 residues pruned to eliminate duplicates Z: 112 62.770 2.269 0.845 0.547 0.901 0.640 CB 1.508 112 residues pruned to eliminate duplicates Z: 53 37.832 2.153 0.676 0.552 0.923 0.673 CB 1.496 53 residues pruned to eliminate duplicates Z: 65 62.439 2.374 0.973 0.605 0.953 0.547 CB 1.582 65 residues pruned to eliminate duplicates Z: 75 58.667 2.356 0.880 0.575 0.919 0.527 CB 1.558 75 residues pruned to eliminate duplicates Z: 74 62.046 2.377 0.902 0.586 0.932 0.589 CB 1.588 74 residues pruned to eliminate duplicates Z: 112 64.925 2.261 0.863 0.540 0.937 0.604 CB 1.502 112 residues pruned to eliminate duplicates Z: 84 56.624 2.330 0.825 0.545 0.928 0.518 CB 1.507 84 residues pruned to eliminate duplicates Z: 91 56.440 2.283 0.761 0.543 0.911 0.578 CB 1.557 91 residues pruned to eliminate duplicates Z: 110 63.987 2.254 0.877 0.556 0.917 0.578 CB 1.495 110 residues pruned to eliminate duplicates Z: 34 40.546 2.350 0.787 0.656 0.939 0.515 CB 1.548 34 residues pruned to eliminate duplicates Z: 34 44.990 2.359 0.847 0.667 1.000 0.727 CB 1.540 34 residues pruned to eliminate duplicates Z: 76 60.700 2.329 0.922 0.573 0.933 0.560 CB 1.564 76 residues pruned to eliminate duplicates Z: 103 67.978 2.289 0.907 0.559 0.951 0.569 CB 1.531 103 residues pruned to eliminate duplicates Z: 65 64.576 2.396 0.973 0.608 0.953 0.672 CB 1.617 65 residues pruned to eliminate duplicates Z: 109 64.045 2.270 0.808 0.558 0.935 0.593 CB 1.518 109 residues pruned to eliminate duplicates Z: 65 64.581 2.390 0.910 0.624 0.969 0.672 CB 1.624 65 residues pruned to eliminate duplicates Z: 30 26.573 2.023 0.885 0.495 0.931 0.690 CB 1.398 30 residues pruned to eliminate duplicates Z: 30 26.668 2.026 0.787 0.482 0.931 0.621 CB 1.496 30 residues pruned to eliminate duplicates Z: 27 28.546 2.086 0.869 0.541 0.885 0.654 CB 1.559 27 residues pruned to eliminate duplicates Z: 28 27.990 2.070 0.946 0.498 0.889 0.704 CB 1.507 28 residues pruned to eliminate duplicates Z: 9 10.245 1.931 0.898 0.443 0.750 0.625 CB 1.397 9 residues pruned to eliminate duplicates Z: 31 25.033 2.046 0.804 0.473 0.900 0.667 CB 1.415 31 residues pruned to eliminate duplicates Z: 54 34.200 2.155 0.704 0.522 0.868 0.585 CB 1.442 54 residues pruned to eliminate duplicates Z: 64 43.686 2.223 0.776 0.568 0.889 0.556 CB 1.468 64 residues pruned to eliminate duplicates Z: 137 68.038 2.255 0.868 0.520 0.904 0.625 CB 1.500 137 residues pruned to eliminate duplicates Z: 29 26.033 2.064 0.787 0.498 0.929 0.643 CB 1.440 29 residues pruned to eliminate duplicates Z: 30 24.585 2.030 0.907 0.446 0.828 0.586 CB 1.506 30 residues pruned to eliminate duplicates Z: 30 24.947 2.034 0.841 0.484 0.897 0.621 CB 1.403 30 residues pruned to eliminate duplicates Z: 33 25.435 2.037 0.799 0.461 0.906 0.625 CB 1.409 33 residues pruned to eliminate duplicates Z: 30 26.267 2.045 0.771 0.489 0.966 0.586 CB 1.410 30 residues pruned to eliminate duplicates Z: 61 51.685 2.226 0.964 0.589 0.950 0.550 CB 1.475 60 residues pruned to eliminate duplicates 6 1.581 1.490 0.828 0.165 0.600 0.400 CA 0.650 ? Z: 6 3.574 1.574 1.194 0.209 0.800 0.600 CB 0.815 6 residues pruned to eliminate duplicates Z: 30 24.704 2.018 0.898 0.468 0.931 0.621 CB 1.329 30 residues pruned to eliminate duplicates Z: 29 27.698 2.081 0.839 0.512 0.929 0.643 CB 1.456 29 residues pruned to eliminate duplicates Z: 139 73.301 2.300 0.862 0.529 0.906 0.514 CB 1.563 139 residues pruned to eliminate duplicates Z: 74 54.871 2.251 0.939 0.550 0.945 0.630 CB 1.482 74 residues pruned to eliminate duplicates Z: 6 2.999 1.702 0.570 0.164 0.600 0.400 CA 1.259 6 residues pruned to eliminate duplicates Z: 31 24.387 2.027 0.834 0.464 0.900 0.633 CB 1.381 31 residues pruned to eliminate duplicates Z: 94 63.616 2.290 0.907 0.562 0.914 0.559 CB 1.556 94 residues pruned to eliminate duplicates Z: 61 30.418 1.965 0.708 0.570 0.917 0.567 CB 1.193 61 residues pruned to eliminate duplicates Z: 35 32.255 2.148 0.946 0.656 0.912 0.618 CB 1.256 35 residues pruned to eliminate duplicates Z: 64 47.092 2.202 0.850 0.550 0.921 0.635 CB 1.507 64 residues pruned to eliminate duplicates Z: 62 34.629 1.982 0.807 0.581 0.918 0.623 CB 1.248 62 residues pruned to eliminate duplicates Z: 76 49.159 2.165 0.810 0.572 0.947 0.627 CB 1.427 76 residues pruned to eliminate duplicates Z: 100 50.237 2.086 0.769 0.559 0.919 0.626 CB 1.405 100 residues pruned to eliminate duplicates Z: 49 28.663 1.947 0.694 0.536 0.938 0.646 CB 1.292 50 residues pruned to eliminate duplicates Z: 14 12.048 1.865 0.523 0.722 1.000 0.769 CB 0.962 14 residues pruned to eliminate duplicates Z: 98 52.776 2.123 0.798 0.571 0.938 0.598 CB 1.398 98 residues pruned to eliminate duplicates Z: 99 50.694 2.107 0.790 0.553 0.939 0.592 CB 1.373 99 residues pruned to eliminate duplicates Z: 100 48.972 2.091 0.778 0.545 0.909 0.626 CB 1.394 100 residues pruned to eliminate duplicates Z: 47 32.020 2.003 0.769 0.566 0.957 0.630 CB 1.307 48 residues pruned to eliminate duplicates Z: 13 14.941 2.131 0.670 0.840 0.917 0.667 CB 0.987 13 residues pruned to eliminate duplicates Z: 74 41.828 2.148 0.780 0.571 0.863 0.466 CB 1.386 74 residues pruned to eliminate duplicates Z: 61 35.380 1.993 0.741 0.573 0.950 0.617 CB 1.291 61 residues pruned to eliminate duplicates Z: 99 53.521 2.094 0.843 0.567 0.929 0.612 CB 1.414 99 residues pruned to eliminate duplicates Z: 13 13.857 2.036 0.486 0.826 0.917 0.750 CB 1.088 13 residues pruned to eliminate duplicates Z: 61 36.971 2.010 0.732 0.595 0.933 0.650 CB 1.341 61 residues pruned to eliminate duplicates Z: 12 16.824 2.209 0.596 0.881 0.909 0.636 CB 1.146 12 residues pruned to eliminate duplicates Z: 61 33.192 2.010 0.748 0.571 0.917 0.533 CB 1.242 61 residues pruned to eliminate duplicates Z: 109 51.327 2.096 0.735 0.555 0.907 0.574 CB 1.419 109 residues pruned to eliminate duplicates Z: 90 50.051 2.115 0.774 0.577 0.944 0.562 CB 1.392 90 residues pruned to eliminate duplicates Z: 61 34.804 2.004 0.751 0.590 0.933 0.633 CB 1.258 61 residues pruned to eliminate duplicates Z: 6 3.425 1.445 0.635 0.376 1.000 1.000 CB 0.740 6 residues pruned to eliminate duplicates Z: 98 48.729 2.101 0.739 0.540 0.928 0.536 CB 1.403 98 residues pruned to eliminate duplicates Z: 114 52.555 2.115 0.735 0.549 0.912 0.646 CB 1.410 114 residues pruned to eliminate duplicates Z: 97 43.317 2.069 0.686 0.502 0.896 0.490 CB 1.412 97 residues pruned to eliminate duplicates Z: 99 45.894 2.087 0.693 0.542 0.908 0.541 CB 1.386 99 residues pruned to eliminate duplicates Z: 89 46.280 2.097 0.748 0.561 0.909 0.523 CB 1.396 89 residues pruned to eliminate duplicates Z: 58 36.975 2.055 0.757 0.602 0.947 0.667 CB 1.299 58 residues pruned to eliminate duplicates Z: 18 14.687 1.899 0.432 0.538 1.000 0.706 CB 1.262 18 residues pruned to eliminate duplicates Z: 32 17.872 1.786 0.738 0.472 0.839 0.548 CB 1.269 31 residues pruned to eliminate duplicates 6 1.861 1.327 0.822 0.227 0.800 0.200 CA 0.592 ? Z: 6 3.879 1.217 0.788 0.457 1.000 0.600 C 0.833 6 residues pruned to eliminate duplicates Z: 19 13.267 1.775 0.569 0.531 0.778 0.611 CB 1.400 19 residues pruned to eliminate duplicates 702 residues left after pruning, divided into chains as follows: A: 8 B: 133 C: 10 D: 10 E: 20 F: 16 G: 6 H: 138 I: 16 J: 177 K: 56 L: 112 CC for partial structure against native data = 41.50 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 2 used as input for final density modification = 0.300, Contrast = 0.492, Connect. = 0.758 for dens.mod. cycle 1 = 0.300, Contrast = 0.565, Connect. = 0.783 for dens.mod. cycle 2 = 0.300, Contrast = 0.681, Connect. = 0.809 for dens.mod. cycle 3 = 0.300, Contrast = 0.693, Connect. = 0.811 for dens.mod. cycle 4 = 0.300, Contrast = 0.706, Connect. = 0.813 for dens.mod. cycle 5 = 0.300, Contrast = 0.713, Connect. = 0.814 for dens.mod. cycle 6 = 0.300, Contrast = 0.719, Connect. = 0.815 for dens.mod. cycle 7 = 0.300, Contrast = 0.722, Connect. = 0.816 for dens.mod. cycle 8 = 0.300, Contrast = 0.725, Connect. = 0.817 for dens.mod. cycle 9 = 0.300, Contrast = 0.726, Connect. = 0.818 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 3.98 - 3.16 - 2.76 - 2.50 - 2.32 - 2.19 - 2.08 - 1.98 - 1.90 - 1.81 0.730 0.753 0.706 0.708 0.732 0.730 0.713 0.709 0.679 0.647 0.890 0.912 0.874 0.865 0.889 0.893 0.878 0.872 0.839 0.795 N 8173 8120 8113 8429 8221 7766 8175 8716 7586 7923 Estimated mean FOM = 0.711 Pseudo-free CC = 73.09 % Best trace (cycle 2 with CC 42.92%) was saved as ./1vme-1.8-parrot-mrncs/1vme-1.8-parrot-mrncs.pdb ============================================================================== CPU times required in seconds ----------------------------- 0.9 - Setup, data input and phasing 8.7 - FFTs and peak-searches 39.7 - Sphere of influence 0.9 - Rest of density modification 0.0 - Alpha-helix search 2064.5 - Tripeptide search 17655.4 - Chain tracing 0.0 - NCS analysis 79.4 - B-value refinement for trace 0.2 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 01:26:58 Total time: 19849.64 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 332.71 Used memory is bytes: 68202264