++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 15:34:58 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: ./2ash-2.1-parrot-hancs/2ash-2.1-parrot-hancs.phi -a -n -t20 Cell and symmetry only from ./2ash-2.1-parrot-hancs/2ash-2.1-parrot-hancs.ins Phases from ./2ash-2.1-parrot-hancs/2ash-2.1-parrot-hancs.phi Native data from ./2ash-2.1-parrot-hancs/2ash-2.1-parrot-hancs.hkl Listing output to ./2ash-2.1-parrot-hancs/2ash-2.1-parrot-hancs.lst Phases output to ./2ash-2.1-parrot-hancs/2ash-2.1-parrot-hancs.phs Poly-Ala trace output to ./2ash-2.1-parrot-hancs/2ash-2.1-parrot-hancs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: C 1 2 1 Allowed origin shift code: 3 100148 Reflections read from file ./2ash-2.1-parrot-hancs/2ash-2.1-parrot-hancs.phi 100148 Reflections read from file ./2ash-2.1-parrot-hancs/2ash-2.1-parrot-hancs.hkl 100148 Unique data, highest resolution = 2.100 Angstroms Anisotropic scaling: intensities multiplied by 0.000048h^2 -0.000083k^2 +0.000019l^2 +0.000000kl +0.000049hl +0.000000hk 66 Reflections with d > 2.300 and 0 in range 2.300 > d > 2.100 added Density sharpening factor set to 0.60 Fourier grid = 256 x 256 x 90 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|> = 0.766 = 0.256, Contrast = 0.379, Connect. = 0.735 for dens.mod. cycle 1 = 0.262, Contrast = 0.371, Connect. = 0.695 for dens.mod. cycle 2 = 0.275, Contrast = 0.476, Connect. = 0.737 for dens.mod. cycle 3 = 0.281, Contrast = 0.521, Connect. = 0.749 for dens.mod. cycle 4 = 0.287, Contrast = 0.550, Connect. = 0.758 for dens.mod. cycle 5 = 0.293, Contrast = 0.564, Connect. = 0.761 for dens.mod. cycle 6 = 0.297, Contrast = 0.571, Connect. = 0.762 for dens.mod. cycle 7 = 0.300, Contrast = 0.589, Connect. = 0.767 for dens.mod. cycle 8 = 0.300, Contrast = 0.605, Connect. = 0.772 for dens.mod. cycle 9 = 0.300, Contrast = 0.623, Connect. = 0.776 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 7650 peaks > 0.5 sigma used to seed fragment search Space for about 1933 unique residues taking solvent into account 1792 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 12 22.313 2.076 0.859 0.933 1.000 1.000 CA 1.216 B: 12 22.731 2.155 0.586 0.934 1.000 0.818 CA 1.398 11 residues pruned to eliminate duplicates C: 26 27.835 1.905 0.787 0.899 0.960 0.840 CB 1.218 7 1.870 1.637 0.086 0.411 0.667 0.667 CB 0.707 ? D: 30 45.540 1.997 0.959 0.936 1.000 0.793 CB 1.506 E: 13 32.759 2.162 0.975 0.920 1.000 0.917 CA 1.559 12 residues pruned to eliminate duplicates F: 31 49.658 2.065 1.059 0.934 1.000 0.900 CA 1.487 G: 11 35.354 2.218 1.334 0.911 0.900 0.500 CB 1.700 11 residues pruned to eliminate duplicates H: 8 20.470 2.191 0.478 0.896 1.000 1.000 CA 1.711 I: 9 13.743 1.895 0.288 0.801 1.000 0.750 CB 1.530 J: 13 30.155 2.083 1.213 0.900 1.000 0.750 CA 1.349 K: 11 5.379 1.681 0.696 0.341 0.700 0.400 CB 1.014 L: 11 12.113 2.024 0.241 0.723 0.900 0.300 CB 1.386 M: 10 25.137 2.250 0.752 0.847 1.000 0.778 CB 1.578 N: 12 28.859 2.151 0.925 0.904 1.000 0.727 CA 1.497 12 residues pruned to eliminate duplicates O: 9 18.092 2.039 0.539 0.869 1.000 1.000 CB 1.488 P: 13 28.796 2.111 1.029 0.893 0.917 0.917 CB 1.519 13 residues pruned to eliminate duplicates Q: 10 30.097 2.277 1.007 0.889 1.000 1.000 CB 1.580 10 residues pruned to eliminate duplicates R: 10 21.812 2.267 0.665 0.844 1.000 1.000 CB 1.434 10 residues pruned to eliminate duplicates S: 10 12.402 1.978 0.323 0.743 0.778 0.444 CB 1.635 T: 10 22.001 2.226 0.641 0.858 1.000 0.778 CB 1.478 11 residues pruned to eliminate duplicates U: 10 14.857 2.047 0.204 0.782 1.000 0.667 CB 1.567 10 residues pruned to eliminate duplicates V: 13 28.466 2.088 0.861 0.920 1.000 1.000 CA 1.489 13 residues pruned to eliminate duplicates W: 16 34.021 1.977 1.218 0.920 0.933 0.667 CA 1.511 16 residues pruned to eliminate duplicates X: 16 17.841 1.860 0.532 0.822 0.867 0.733 CB 1.412 Y: 12 31.360 2.069 1.598 0.833 0.909 0.545 CB 1.451 Z: 15 24.170 2.004 0.626 0.918 0.929 0.929 CA 1.506 16 residues pruned to eliminate duplicates Z: 15 11.151 1.840 0.427 0.491 0.786 0.500 CB 1.457 Z: 9 25.144 2.051 1.104 0.852 1.000 0.500 CB 1.523 9 residues pruned to eliminate duplicates Z: 31 43.119 2.082 0.816 0.922 1.000 0.867 CA 1.464 32 residues pruned to eliminate duplicates Z: 11 35.253 2.303 1.091 0.928 1.000 1.000 CA 1.621 14 residues pruned to eliminate duplicates Z: 11 24.976 2.176 0.692 0.890 1.000 0.900 CA 1.543 11 residues pruned to eliminate duplicates Z: 8 23.384 2.057 1.110 0.894 1.000 1.000 CA 1.461 8 residues pruned to eliminate duplicates Z: 9 15.783 1.873 0.576 0.837 1.000 1.000 CA 1.413 15 residues pruned to eliminate duplicates Z: 10 13.106 2.085 0.146 0.750 1.000 0.556 CB 1.463 10 residues pruned to eliminate duplicates Z: 17 16.062 1.721 0.789 0.805 0.812 0.562 CB 1.230 Z: 22 42.525 2.034 1.114 0.919 0.952 0.857 CB 1.597 22 residues pruned to eliminate duplicates Z: 6 17.683 2.062 0.912 0.820 1.000 1.000 N 1.519 Z: 11 13.447 2.031 0.152 0.830 0.900 0.600 CA 1.518 11 residues pruned to eliminate duplicates Z: 24 31.110 1.899 0.887 0.906 0.913 0.652 CA 1.410 Z: 7 8.261 1.890 0.230 0.801 0.833 0.667 CA 1.338 Z: 15 15.385 1.920 0.614 0.763 0.857 0.643 CB 1.226 15 residues pruned to eliminate duplicates Z: 9 15.040 2.060 0.455 0.811 0.875 0.750 CB 1.547 10 residues pruned to eliminate duplicates Z: 6 20.625 2.090 1.068 0.860 1.000 0.800 CB 1.570 Z: 13 26.160 2.002 0.814 0.908 1.000 0.833 CA 1.476 Z: 9 18.179 1.819 0.806 0.855 0.875 0.750 CB 1.649 9 residues pruned to eliminate duplicates Z: 12 25.257 1.884 0.920 0.853 1.000 0.727 CB 1.556 Z: 18 9.127 1.917 0.322 0.408 0.824 0.471 CB 1.168 Z: 10 18.818 2.114 0.500 0.769 1.000 0.667 CB 1.559 9 residues pruned to eliminate duplicates Z: 29 47.410 2.019 1.071 0.946 1.000 0.750 CB 1.482 30 residues pruned to eliminate duplicates Z: 26 29.457 1.811 0.885 0.872 0.960 0.760 CA 1.310 25 residues pruned to eliminate duplicates Z: 6 9.934 1.795 0.557 0.866 1.000 1.000 N 1.163 Z: 8 25.024 2.256 0.849 0.871 1.000 0.571 CB 1.654 8 residues pruned to eliminate duplicates Z: 31 35.497 2.011 1.109 0.882 0.900 0.367 CB 1.228 31 residues pruned to eliminate duplicates Z: 15 31.006 2.073 1.183 0.823 0.857 0.500 CB 1.615 15 residues pruned to eliminate duplicates Z: 11 23.408 2.260 0.695 0.879 0.900 0.800 CA 1.557 11 residues pruned to eliminate duplicates Z: 25 28.699 1.832 0.866 0.908 0.958 0.833 CB 1.270 25 residues pruned to eliminate duplicates Z: 8 9.093 1.836 0.307 0.579 0.857 0.857 N 1.548 Z: 12 29.353 2.204 0.870 0.900 1.000 0.727 CA 1.533 12 residues pruned to eliminate duplicates Z: 26 28.802 1.903 0.743 0.920 1.000 0.920 CB 1.223 27 residues pruned to eliminate duplicates Z: 8 21.558 2.051 0.739 0.879 1.000 0.714 CA 1.657 9 residues pruned to eliminate duplicates Z: 54 27.810 1.982 0.693 0.388 0.925 0.396 CB 1.387 10 residues pruned to eliminate duplicates Z: 30 23.000 1.875 1.269 0.503 0.793 0.414 CB 1.262 28 residues pruned to eliminate duplicates Z: 15 23.512 2.140 1.111 0.917 0.857 0.643 CB 1.145 15 residues pruned to eliminate duplicates Z: 13 16.332 1.858 0.534 0.887 0.917 0.667 CB 1.301 Z: 15 24.226 1.888 1.038 0.867 0.857 0.786 CB 1.436 15 residues pruned to eliminate duplicates Z: 30 43.935 1.946 0.893 0.919 1.000 0.793 CA 1.561 29 residues pruned to eliminate duplicates Z: 8 10.327 2.035 0.746 0.347 1.000 0.571 CB 1.296 8 residues pruned to eliminate duplicates Z: 17 27.898 1.946 0.927 0.831 0.875 0.625 CB 1.597 Z: 10 17.439 1.806 0.924 0.836 1.000 0.889 CA 1.253 9 residues pruned to eliminate duplicates Z: 10 26.340 1.947 1.043 0.895 1.000 0.778 CB 1.582 10 residues pruned to eliminate duplicates Z: 31 44.844 2.066 1.057 0.892 0.933 0.733 CA 1.482 31 residues pruned to eliminate duplicates Z: 25 17.582 1.812 0.575 0.501 0.958 0.583 CB 1.310 11 residues pruned to eliminate duplicates Z: 10 11.751 1.899 0.179 0.900 0.889 0.778 O 1.405 10 residues pruned to eliminate duplicates Z: 31 38.421 2.054 0.783 0.905 1.000 0.900 CA 1.363 31 residues pruned to eliminate duplicates Z: 9 18.740 2.012 0.639 0.878 1.000 0.875 CB 1.458 9 residues pruned to eliminate duplicates Z: 12 23.194 1.958 0.789 0.803 1.000 0.636 CB 1.532 12 residues pruned to eliminate duplicates Z: 18 29.880 1.995 1.033 0.831 1.000 0.765 CB 1.342 13 residues pruned to eliminate duplicates Z: 16 25.034 1.880 0.751 0.890 1.000 0.867 CB 1.412 15 residues pruned to eliminate duplicates Z: 8 12.063 1.864 0.641 0.709 1.000 0.429 CB 1.233 Z: 11 22.450 2.137 0.892 0.839 0.900 0.600 CB 1.457 11 residues pruned to eliminate duplicates Z: 13 22.791 1.897 1.327 0.844 0.917 0.500 CB 1.210 13 residues pruned to eliminate duplicates Z: 15 18.422 1.760 0.459 0.835 0.929 0.786 CB 1.546 Z: 6 13.560 1.983 0.643 0.821 1.000 1.000 CA 1.409 6 residues pruned to eliminate duplicates Z: 6 12.755 1.965 0.641 0.827 1.000 1.000 CA 1.333 6 residues pruned to eliminate duplicates Z: 15 26.968 1.976 0.822 0.914 0.929 0.643 CA 1.524 15 residues pruned to eliminate duplicates Z: 13 20.595 1.779 0.509 0.909 1.000 0.750 CB 1.571 15 residues pruned to eliminate duplicates Z: 28 42.690 1.945 1.251 0.924 0.926 0.593 CB 1.423 28 residues pruned to eliminate duplicates Z: 15 22.704 1.885 0.760 0.871 1.000 0.714 CB 1.334 17 residues pruned to eliminate duplicates Z: 13 39.308 2.125 1.314 0.936 1.000 0.917 CA 1.608 13 residues pruned to eliminate duplicates Z: 21 10.313 1.880 0.474 0.336 0.800 0.550 CB 1.244 Z: 6 14.967 2.036 0.568 0.874 1.000 1.000 CA 1.525 6 residues pruned to eliminate duplicates Z: 13 28.331 2.050 0.885 0.894 1.000 0.750 CB 1.519 Z: 9 21.542 1.942 0.866 0.868 1.000 0.625 CB 1.536 8 residues pruned to eliminate duplicates Z: 8 16.114 1.945 0.628 0.889 0.857 0.714 CB 1.615 8 residues pruned to eliminate duplicates Z: 15 23.448 1.913 0.802 0.824 1.000 0.500 CB 1.373 15 residues pruned to eliminate duplicates Z: 22 47.481 2.052 1.359 0.920 1.000 0.714 CB 1.507 22 residues pruned to eliminate duplicates Z: 15 20.942 1.776 0.545 0.849 1.000 0.643 CB 1.512 12 residues pruned to eliminate duplicates Z: 8 11.133 1.756 0.603 0.841 0.857 0.714 CA 1.301 8 residues pruned to eliminate duplicates Z: 9 21.198 2.010 0.717 0.896 1.000 0.875 CA 1.556 9 residues pruned to eliminate duplicates Z: 11 33.779 2.202 1.115 0.905 1.000 0.700 CB 1.633 11 residues pruned to eliminate duplicates Z: 6 15.096 1.880 0.871 0.870 1.000 1.000 N 1.402 5 residues pruned to eliminate duplicates Z: 24 27.778 1.930 0.836 0.908 0.957 0.826 CB 1.214 25 residues pruned to eliminate duplicates Z: 16 26.268 1.899 0.762 0.860 0.933 0.800 CA 1.597 Z: 17 19.679 1.713 0.509 0.905 0.938 0.750 CA 1.445 17 residues pruned to eliminate duplicates Z: 13 32.581 2.089 1.174 0.922 0.917 0.667 CB 1.588 13 residues pruned to eliminate duplicates Z: 13 27.885 2.053 0.872 0.910 0.917 0.667 CB 1.621 13 residues pruned to eliminate duplicates Z: 24 30.101 1.871 0.794 0.884 1.000 0.870 CB 1.352 Z: 8 21.217 2.177 0.517 0.873 1.000 0.857 CB 1.768 8 residues pruned to eliminate duplicates Z: 16 18.499 1.887 0.463 0.864 0.933 0.867 CA 1.359 16 residues pruned to eliminate duplicates Z: 30 49.995 1.949 1.212 0.934 1.000 0.552 CB 1.501 30 residues pruned to eliminate duplicates Z: 7 8.178 1.921 0.100 0.887 1.000 1.000 CB 1.138 7 residues pruned to eliminate duplicates Z: 8 9.915 1.806 0.460 0.793 1.000 0.429 CB 1.099 9 residues pruned to eliminate duplicates Z: 15 16.805 1.813 0.553 0.818 0.857 0.857 CB 1.412 15 residues pruned to eliminate duplicates Z: 31 46.479 2.095 0.913 0.927 0.967 0.833 CB 1.536 31 residues pruned to eliminate duplicates Z: 13 14.056 1.894 0.522 0.846 0.917 0.667 CB 1.140 13 residues pruned to eliminate duplicates Z: 14 18.277 1.930 0.589 0.855 0.923 0.692 CB 1.322 14 residues pruned to eliminate duplicates Z: 13 29.619 1.975 1.130 0.918 1.000 0.583 CB 1.433 13 residues pruned to eliminate duplicates Z: 12 19.375 1.745 0.754 0.900 0.909 0.636 CB 1.500 Z: 9 10.708 1.996 0.496 0.368 0.875 0.500 N 1.670 Z: 14 24.949 1.915 0.803 0.886 1.000 0.846 CB 1.446 13 residues pruned to eliminate duplicates Z: 18 20.894 2.035 0.597 0.616 0.882 0.588 CB 1.583 12 residues pruned to eliminate duplicates Z: 17 19.863 2.046 0.962 0.374 0.938 0.688 CB 1.509 17 residues pruned to eliminate duplicates Z: 16 23.286 1.926 0.689 0.928 0.933 0.467 CB 1.387 16 residues pruned to eliminate duplicates Z: 12 21.391 2.136 0.911 0.878 0.727 0.727 CB 1.576 12 residues pruned to eliminate duplicates Z: 13 14.318 1.789 0.269 0.895 0.917 0.750 CB 1.423 13 residues pruned to eliminate duplicates Z: 23 38.918 2.052 1.100 0.922 1.000 0.682 CB 1.354 23 residues pruned to eliminate duplicates Z: 9 13.882 1.888 0.316 0.881 1.000 0.875 CB 1.431 9 residues pruned to eliminate duplicates Z: 8 7.697 1.481 0.520 0.581 1.000 0.714 CB 1.195 Z: 7 6.727 1.892 0.139 0.852 1.000 0.667 CB 0.943 7 residues pruned to eliminate duplicates Z: 29 47.375 2.020 1.035 0.942 1.000 0.893 CB 1.511 29 residues pruned to eliminate duplicates Z: 11 33.659 2.221 1.428 0.889 0.900 0.500 CB 1.579 11 residues pruned to eliminate duplicates Z: 19 13.460 1.889 0.781 0.311 0.778 0.444 N 1.495 19 residues pruned to eliminate duplicates Z: 13 29.316 2.046 0.941 0.936 1.000 0.917 CB 1.485 12 residues pruned to eliminate duplicates Z: 8 17.177 1.871 0.642 0.887 1.000 1.000 CA 1.524 8 residues pruned to eliminate duplicates Z: 30 35.372 1.928 1.082 0.920 0.897 0.483 CB 1.285 30 residues pruned to eliminate duplicates Z: 31 54.875 2.111 1.113 0.921 1.000 0.700 CA 1.580 31 residues pruned to eliminate duplicates Z: 9 17.938 1.809 1.108 0.702 0.875 0.750 C 1.581 Z: 27 42.727 1.945 1.393 0.913 0.962 0.346 CB 1.325 27 residues pruned to eliminate duplicates Z: 14 18.603 1.812 0.845 0.905 0.923 0.769 CB 1.190 14 residues pruned to eliminate duplicates Z: 18 7.076 1.644 0.528 0.348 0.824 0.529 CB 0.978 8 residues pruned to eliminate duplicates Z: 16 13.232 1.988 0.929 0.459 0.800 0.600 CB 1.161 15 residues pruned to eliminate duplicates Z: 12 19.058 1.963 0.739 0.893 1.000 0.818 CB 1.209 12 residues pruned to eliminate duplicates Z: 7 17.944 1.755 1.286 0.792 1.000 0.833 CA 1.413 8 residues pruned to eliminate duplicates Z: 15 22.106 1.772 0.983 0.874 0.929 0.786 CB 1.317 15 residues pruned to eliminate duplicates Z: 13 37.661 2.029 1.783 0.854 0.917 0.417 CB 1.550 13 residues pruned to eliminate duplicates Z: 23 28.690 1.934 0.781 0.898 0.909 0.682 CB 1.396 23 residues pruned to eliminate duplicates Z: 14 30.536 1.970 0.916 0.894 1.000 0.769 CB 1.610 14 residues pruned to eliminate duplicates Z: 14 17.545 1.770 0.559 0.896 1.000 0.769 CB 1.263 14 residues pruned to eliminate duplicates Z: 9 14.479 1.895 0.824 0.851 0.875 0.875 CB 1.253 9 residues pruned to eliminate duplicates Z: 16 22.962 1.900 0.704 0.860 0.867 0.800 CA 1.554 16 residues pruned to eliminate duplicates Z: 28 49.428 2.051 1.084 0.931 1.000 0.704 CB 1.556 28 residues pruned to eliminate duplicates Z: 31 44.237 2.051 0.889 0.929 0.967 0.867 CB 1.508 31 residues pruned to eliminate duplicates Z: 16 24.184 1.897 0.738 0.917 0.933 0.733 CB 1.431 16 residues pruned to eliminate duplicates Z: 31 56.336 2.115 1.277 0.937 1.000 0.833 CB 1.486 31 residues pruned to eliminate duplicates Z: 7 8.041 2.126 0.844 0.394 0.667 0.333 CB 1.404 Z: 7 11.228 1.777 0.703 0.819 1.000 1.000 CB 1.149 7 residues pruned to eliminate duplicates Z: 16 21.958 1.820 0.743 0.847 1.000 0.667 CB 1.327 16 residues pruned to eliminate duplicates Z: 15 28.352 2.039 0.885 0.931 0.929 0.714 CB 1.484 15 residues pruned to eliminate duplicates Z: 11 15.583 2.037 0.509 0.846 1.000 0.900 CA 1.191 11 residues pruned to eliminate duplicates Z: 8 15.477 1.729 0.831 0.829 1.000 0.714 N 1.390 9 residues pruned to eliminate duplicates Z: 8 18.462 2.064 0.450 0.892 1.000 0.857 CB 1.676 8 residues pruned to eliminate duplicates Z: 16 20.160 1.887 0.751 0.906 0.933 0.733 CB 1.201 16 residues pruned to eliminate duplicates Z: 17 19.478 1.850 0.573 0.822 0.875 0.688 CB 1.447 Z: 17 28.234 1.922 0.899 0.847 1.000 0.812 CA 1.435 17 residues pruned to eliminate duplicates Z: 9 7.178 1.844 0.247 0.491 1.000 0.375 CB 1.114 Z: 12 18.811 2.030 0.615 0.758 0.909 0.636 CB 1.512 12 residues pruned to eliminate duplicates Z: 30 42.270 1.939 1.056 0.918 0.966 0.690 CB 1.438 30 residues pruned to eliminate duplicates Z: 27 26.616 1.801 0.492 0.926 1.000 0.923 CA 1.362 25 residues pruned to eliminate duplicates Z: 9 19.678 2.071 0.559 0.864 1.000 0.750 CB 1.580 9 residues pruned to eliminate duplicates Z: 10 13.788 1.580 0.725 0.850 1.000 0.556 CB 1.249 Z: 13 24.381 1.784 1.021 0.914 1.000 0.583 CB 1.381 11 residues pruned to eliminate duplicates Z: 28 31.296 1.784 0.821 0.886 1.000 0.815 CB 1.338 27 residues pruned to eliminate duplicates Z: 11 21.287 1.896 0.864 0.916 0.900 0.800 CA 1.495 12 residues pruned to eliminate duplicates Z: 14 22.132 1.874 0.847 0.830 0.846 0.538 CA 1.576 14 residues pruned to eliminate duplicates Z: 9 20.770 2.182 0.842 0.913 1.000 1.000 CA 1.292 9 residues pruned to eliminate duplicates Z: 15 10.610 1.885 0.574 0.391 0.857 0.500 CB 1.252 7 residues pruned to eliminate duplicates Z: 11 28.846 2.252 1.042 0.845 0.900 0.400 CB 1.638 11 residues pruned to eliminate duplicates Z: 14 21.300 1.942 0.862 0.892 0.846 0.462 CB 1.387 14 residues pruned to eliminate duplicates Z: 13 20.967 1.704 0.826 0.855 1.000 0.667 CA 1.436 11 residues pruned to eliminate duplicates Z: 17 28.730 1.936 0.898 0.833 1.000 0.750 CA 1.466 17 residues pruned to eliminate duplicates Z: 11 19.236 2.024 0.649 0.841 1.000 0.800 CA 1.360 11 residues pruned to eliminate duplicates Z: 17 20.206 1.731 0.560 0.896 1.000 0.688 CA 1.341 16 residues pruned to eliminate duplicates Z: 6 2.720 1.769 0.237 0.296 0.800 0.600 CB 0.873 Z: 7 3.892 1.511 0.205 0.552 1.000 1.000 N 0.829 Z: 10 18.875 1.980 0.657 0.885 1.000 0.889 CB 1.385 Z: 17 22.991 1.891 0.776 0.816 0.875 0.750 CB 1.487 17 residues pruned to eliminate duplicates Z: 9 15.674 1.946 0.630 0.818 0.875 0.875 CA 1.514 Z: 11 21.967 1.772 1.194 0.799 0.900 0.700 N 1.528 10 residues pruned to eliminate duplicates Z: 15 20.745 1.864 0.799 0.868 0.929 0.643 CB 1.302 15 residues pruned to eliminate duplicates Z: 26 42.417 1.981 1.049 0.899 1.000 0.840 CB 1.494 26 residues pruned to eliminate duplicates Z: 13 22.240 1.936 0.734 0.922 1.000 0.667 CB 1.345 13 residues pruned to eliminate duplicates Z: 31 50.469 2.072 1.303 0.937 0.967 0.600 CB 1.390 31 residues pruned to eliminate duplicates Z: 11 14.268 1.827 0.467 0.889 0.900 0.900 CA 1.346 9 residues pruned to eliminate duplicates Z: 37 29.726 1.857 0.774 0.770 0.917 0.556 CB 1.291 Z: 15 19.426 1.828 0.651 0.904 0.929 0.714 CB 1.320 15 residues pruned to eliminate duplicates Z: 19 12.379 1.975 0.694 0.301 0.833 0.444 CB 1.307 19 residues pruned to eliminate duplicates Z: 8 15.062 1.799 0.625 0.783 1.000 0.857 CB 1.517 7 residues pruned to eliminate duplicates Z: 8 13.133 1.682 0.468 0.835 1.000 0.571 CB 1.507 8 residues pruned to eliminate duplicates Z: 8 8.444 1.838 0.360 0.776 1.000 0.714 CB 1.000 8 residues pruned to eliminate duplicates Z: 31 53.622 2.095 1.172 0.928 1.000 0.767 CB 1.506 31 residues pruned to eliminate duplicates Z: 30 31.340 2.148 1.148 0.659 0.897 0.483 CB 1.214 40 residues pruned to eliminate duplicates Z: 9 16.744 1.968 0.464 0.869 1.000 0.875 O 1.501 9 residues pruned to eliminate duplicates Z: 9 21.621 1.898 0.995 0.890 1.000 0.875 CA 1.452 9 residues pruned to eliminate duplicates Z: 14 11.602 1.669 0.499 0.808 0.846 0.615 CB 1.162 14 residues pruned to eliminate duplicates Z: 14 20.559 1.754 0.659 0.870 0.923 0.769 CA 1.550 13 residues pruned to eliminate duplicates Z: 6 7.877 1.594 0.752 0.807 1.000 0.800 CB 0.965 6 residues pruned to eliminate duplicates Z: 29 36.377 1.977 0.995 0.914 0.893 0.607 CB 1.380 30 residues pruned to eliminate duplicates Z: 12 33.056 2.133 1.392 0.899 1.000 0.727 CB 1.397 12 residues pruned to eliminate duplicates Z: 17 30.534 1.924 1.103 0.857 0.938 0.562 CB 1.483 17 residues pruned to eliminate duplicates Z: 13 18.009 1.798 0.478 0.912 1.000 1.000 CA 1.386 13 residues pruned to eliminate duplicates Z: 15 27.944 1.943 0.780 0.907 1.000 0.929 CA 1.535 16 residues pruned to eliminate duplicates Z: 13 15.676 1.941 0.368 0.908 0.833 0.833 CB 1.452 13 residues pruned to eliminate duplicates Z: 33 23.354 1.867 0.717 0.580 0.906 0.625 CB 1.315 22 residues pruned to eliminate duplicates Z: 9 20.343 1.955 0.713 0.918 1.000 1.000 CA 1.514 Z: 17 12.460 1.800 0.572 0.564 0.875 0.562 CB 1.182 6 residues pruned to eliminate duplicates Z: 20 29.184 2.007 0.967 0.894 0.947 0.737 CA 1.284 20 residues pruned to eliminate duplicates Z: 39 24.514 2.060 0.757 0.430 0.842 0.526 CB 1.402 21 residues pruned to eliminate duplicates Z: 13 26.056 2.026 0.712 0.903 1.000 0.667 CB 1.546 13 residues pruned to eliminate duplicates Z: 9 20.995 1.792 0.952 0.911 1.000 0.875 N 1.503 9 residues pruned to eliminate duplicates Z: 27 15.269 1.885 0.777 0.488 0.885 0.654 CB 1.023 19 residues pruned to eliminate duplicates Z: 15 17.119 1.846 0.569 0.803 0.929 0.786 CB 1.305 15 residues pruned to eliminate duplicates Z: 11 3.368 1.377 0.166 0.261 1.000 0.500 CB 0.872 Z: 9 16.398 2.105 0.328 0.795 1.000 0.750 CB 1.602 9 residues pruned to eliminate duplicates Z: 23 31.650 1.859 0.934 0.886 0.955 0.727 CB 1.419 24 residues pruned to eliminate duplicates Z: 32 52.316 2.055 1.192 0.911 1.000 0.774 CA 1.478 32 residues pruned to eliminate duplicates Z: 15 8.233 1.640 0.654 0.372 0.929 0.643 CB 1.002 Z: 11 19.832 1.789 0.741 0.866 1.000 0.900 CA 1.474 Z: 9 16.994 1.927 0.703 0.832 1.000 0.875 CB 1.375 9 residues pruned to eliminate duplicates Z: 10 17.452 1.865 0.858 0.847 1.000 0.667 CB 1.246 10 residues pruned to eliminate duplicates Z: 16 21.460 1.867 0.504 0.889 0.933 0.733 CA 1.522 16 residues pruned to eliminate duplicates Z: 8 7.137 1.816 0.494 0.473 1.000 0.429 CB 1.021 Z: 12 27.097 1.873 1.137 0.918 1.000 0.455 CB 1.439 13 residues pruned to eliminate duplicates Z: 8 16.608 1.952 0.435 0.876 1.000 0.857 CA 1.627 8 residues pruned to eliminate duplicates Z: 21 19.864 1.762 0.565 0.865 1.000 0.850 CB 1.180 21 residues pruned to eliminate duplicates Z: 49 23.322 1.774 0.701 0.607 0.875 0.479 CB 1.152 33 residues pruned to eliminate duplicates Z: 29 32.157 1.873 1.069 0.862 0.964 0.643 CB 1.194 25 residues pruned to eliminate duplicates Z: 9 18.292 1.916 0.834 0.870 1.000 0.875 CB 1.344 9 residues pruned to eliminate duplicates Z: 16 27.104 1.923 0.786 0.836 1.000 0.733 CB 1.525 16 residues pruned to eliminate duplicates Z: 24 19.609 1.989 0.618 0.504 0.870 0.609 CB 1.456 24 residues pruned to eliminate duplicates Z: 13 19.985 1.744 0.882 0.916 1.000 0.750 CA 1.242 12 residues pruned to eliminate duplicates Z: 16 28.119 2.010 0.869 0.921 0.933 0.733 CA 1.457 16 residues pruned to eliminate duplicates Z: 22 31.098 1.936 0.828 0.887 0.952 0.857 CA 1.451 22 residues pruned to eliminate duplicates Z: 29 31.012 1.819 0.948 0.856 0.857 0.643 CA 1.423 29 residues pruned to eliminate duplicates Z: 17 26.148 1.988 0.667 0.850 0.938 0.875 CA 1.558 17 residues pruned to eliminate duplicates Z: 26 18.717 1.844 0.504 0.621 0.880 0.520 CB 1.368 23 residues pruned to eliminate duplicates Z: 16 16.738 1.712 0.577 0.859 0.933 0.600 CB 1.263 16 residues pruned to eliminate duplicates Z: 13 16.244 1.728 0.471 0.789 1.000 0.750 CB 1.431 12 residues pruned to eliminate duplicates Z: 18 28.994 1.890 0.729 0.882 1.000 0.824 CA 1.557 18 residues pruned to eliminate duplicates Z: 8 17.186 2.011 0.699 0.886 1.000 0.571 CB 1.372 8 residues pruned to eliminate duplicates Z: 34 23.108 1.880 0.811 0.596 0.848 0.636 CB 1.271 24 residues pruned to eliminate duplicates Z: 12 10.152 1.860 0.719 0.439 0.909 0.545 CB 1.122 8 residues pruned to eliminate duplicates Z: 12 14.613 1.701 0.515 0.922 1.000 0.909 CB 1.203 Z: 15 22.335 1.857 0.744 0.901 0.929 0.500 CB 1.417 Z: 23 31.219 1.940 0.926 0.929 0.864 0.591 CB 1.444 23 residues pruned to eliminate duplicates Z: 18 14.805 1.894 0.797 0.462 0.824 0.588 CB 1.332 10 residues pruned to eliminate duplicates Z: 18 27.500 1.846 0.931 0.869 0.941 0.765 CB 1.452 18 residues pruned to eliminate duplicates Z: 19 32.752 2.042 0.959 0.931 0.944 0.722 CA 1.429 19 residues pruned to eliminate duplicates Z: 28 30.277 1.819 0.685 0.905 1.000 0.926 CA 1.353 26 residues pruned to eliminate duplicates Z: 8 11.429 1.918 0.563 0.815 0.857 0.714 CA 1.279 7 residues pruned to eliminate duplicates Z: 20 26.918 1.824 0.678 0.907 1.000 0.895 CA 1.435 18 residues pruned to eliminate duplicates Z: 29 17.907 1.929 0.909 0.494 0.821 0.393 CB 1.126 24 residues pruned to eliminate duplicates Z: 10 7.911 1.853 0.861 0.398 0.667 0.556 CB 1.277 10 residues pruned to eliminate duplicates Z: 12 18.980 1.879 0.651 0.877 1.000 0.818 CB 1.340 12 residues pruned to eliminate duplicates Z: 15 27.784 1.999 0.853 0.914 0.929 0.857 CA 1.527 17 residues pruned to eliminate duplicates Z: 12 14.096 1.817 0.538 0.770 0.909 0.727 CB 1.318 12 residues pruned to eliminate duplicates Z: 12 15.499 1.851 0.519 0.885 1.000 0.818 CB 1.201 11 residues pruned to eliminate duplicates Z: 16 27.508 1.924 0.700 0.887 1.000 0.800 CB 1.566 17 residues pruned to eliminate duplicates Z: 16 21.501 1.722 0.828 0.833 1.000 0.533 CB 1.323 15 residues pruned to eliminate duplicates Z: 6 7.225 2.029 0.024 0.731 1.000 0.600 CB 1.264 6 residues pruned to eliminate duplicates Z: 21 25.093 1.860 0.803 0.865 0.900 0.650 CB 1.362 21 residues pruned to eliminate duplicates Z: 15 12.036 1.896 0.571 0.529 1.000 0.357 CB 1.049 15 residues pruned to eliminate duplicates Z: 40 25.937 2.072 0.799 0.451 0.846 0.462 CB 1.384 41 residues pruned to eliminate duplicates Z: 23 28.512 1.917 0.692 0.899 1.000 0.818 CA 1.340 23 residues pruned to eliminate duplicates Z: 11 35.839 2.201 1.479 0.886 1.000 0.900 CB 1.499 11 residues pruned to eliminate duplicates Z: 27 35.233 1.894 0.892 0.904 1.000 0.615 CB 1.374 27 residues pruned to eliminate duplicates Z: 13 11.271 1.576 0.811 0.752 0.917 0.667 CB 0.994 Z: 12 41.833 2.163 1.659 0.887 0.909 0.545 CB 1.739 10 residues pruned to eliminate duplicates Z: 12 18.847 1.889 0.624 0.837 1.000 0.636 CB 1.385 12 residues pruned to eliminate duplicates Z: 8 10.292 1.635 0.407 0.874 1.000 1.000 CB 1.231 8 residues pruned to eliminate duplicates Z: 15 19.977 1.790 0.538 0.905 1.000 0.714 CB 1.380 15 residues pruned to eliminate duplicates Z: 16 7.605 1.772 0.527 0.389 0.800 0.533 CB 1.020 16 residues pruned to eliminate duplicates Z: 10 15.989 2.082 0.302 0.768 1.000 0.778 CB 1.550 10 residues pruned to eliminate duplicates Z: 13 19.596 1.916 0.471 0.913 1.000 0.750 CA 1.421 13 residues pruned to eliminate duplicates Z: 15 14.363 1.756 0.299 0.900 0.929 0.643 CB 1.294 15 residues pruned to eliminate duplicates Z: 13 11.459 1.573 0.341 0.880 1.000 1.000 CB 1.136 Z: 14 11.350 1.654 0.592 0.890 0.923 0.538 CB 0.932 Z: 15 17.945 1.853 0.403 0.925 0.929 0.929 CB 1.395 15 residues pruned to eliminate duplicates Z: 7 10.033 1.887 0.412 0.632 1.000 0.833 CB 1.358 9 residues pruned to eliminate duplicates Z: 15 19.681 1.793 0.749 0.885 1.000 0.643 CB 1.211 15 residues pruned to eliminate duplicates Z: 31 43.020 2.055 0.835 0.907 1.000 0.833 CA 1.480 31 residues pruned to eliminate duplicates Z: 7 16.934 2.009 0.805 0.751 1.000 0.333 CB 1.524 7 residues pruned to eliminate duplicates Z: 9 10.055 1.926 0.610 0.582 1.000 0.875 CB 1.059 Z: 30 22.804 1.880 0.698 0.611 0.931 0.621 CB 1.282 24 residues pruned to eliminate duplicates Z: 9 5.662 1.674 0.607 0.281 0.750 0.250 CB 1.270 Z: 13 29.790 1.981 1.047 0.910 1.000 0.750 CA 1.505 13 residues pruned to eliminate duplicates Z: 13 20.799 1.984 0.376 0.900 1.000 1.000 CB 1.571 13 residues pruned to eliminate duplicates Z: 16 18.945 1.762 0.512 0.914 0.933 0.867 CB 1.392 16 residues pruned to eliminate duplicates Z: 14 24.351 1.868 0.650 0.878 1.000 1.000 CB 1.591 14 residues pruned to eliminate duplicates Z: 11 20.785 1.672 1.045 0.901 1.000 1.000 N 1.372 Z: 8 17.955 1.850 0.904 0.900 1.000 0.714 CA 1.376 8 residues pruned to eliminate duplicates Z: 15 23.182 2.002 0.716 0.924 0.929 0.500 CB 1.364 15 residues pruned to eliminate duplicates Z: 20 17.313 1.802 0.280 0.852 0.947 0.789 CB 1.344 20 residues pruned to eliminate duplicates Z: 17 25.265 1.847 0.805 0.905 0.938 0.875 CA 1.438 17 residues pruned to eliminate duplicates Z: 30 21.090 2.012 0.947 0.318 0.793 0.517 CB 1.541 30 residues pruned to eliminate duplicates Z: 8 9.993 1.664 0.440 0.776 0.857 0.857 CA 1.441 8 residues pruned to eliminate duplicates Z: 31 30.986 1.825 0.862 0.851 0.933 0.467 CB 1.320 31 residues pruned to eliminate duplicates Z: 23 25.087 1.871 0.853 0.923 0.818 0.455 CB 1.325 23 residues pruned to eliminate duplicates Z: 15 20.594 1.921 0.580 0.855 0.857 0.571 CB 1.561 15 residues pruned to eliminate duplicates Z: 9 16.644 1.962 0.654 0.804 1.000 0.750 CB 1.391 9 residues pruned to eliminate duplicates Z: 22 24.770 1.819 0.754 0.865 1.000 0.857 CA 1.241 22 residues pruned to eliminate duplicates Z: 13 14.532 1.751 0.401 0.879 1.000 0.917 CB 1.239 13 residues pruned to eliminate duplicates Z: 13 21.479 1.954 0.878 0.930 0.917 0.583 CB 1.288 13 residues pruned to eliminate duplicates Z: 17 12.283 1.717 0.644 0.453 0.875 0.438 CB 1.304 Z: 25 17.633 1.854 0.648 0.481 0.833 0.417 CB 1.440 27 residues pruned to eliminate duplicates Z: 25 31.801 1.853 0.973 0.855 0.958 0.542 CB 1.367 25 residues pruned to eliminate duplicates Z: 23 27.546 1.837 0.895 0.894 0.955 0.682 CB 1.268 23 residues pruned to eliminate duplicates Z: 10 18.191 1.810 1.090 0.916 1.000 0.778 CB 1.132 10 residues pruned to eliminate duplicates Z: 9 14.013 1.914 0.161 0.879 1.000 0.875 N 1.617 9 residues pruned to eliminate duplicates Z: 13 17.953 1.802 0.685 0.903 1.000 1.000 CB 1.216 Z: 14 6.854 1.610 0.347 0.405 0.846 0.462 CB 1.146 14 residues pruned to eliminate duplicates Z: 10 4.269 1.411 0.488 0.390 0.889 0.444 CB 0.856 Z: 28 37.974 1.904 0.989 0.951 1.000 0.815 CB 1.330 27 residues pruned to eliminate duplicates Z: 55 23.689 1.974 0.748 0.398 0.852 0.426 CB 1.221 48 residues pruned to eliminate duplicates Z: 15 24.625 1.925 0.709 0.893 0.929 0.786 CA 1.547 15 residues pruned to eliminate duplicates Z: 12 25.018 2.062 1.121 0.867 1.000 0.909 CA 1.262 12 residues pruned to eliminate duplicates Z: 8 10.191 1.908 0.071 0.745 1.000 0.571 CA 1.515 7 residues pruned to eliminate duplicates Z: 20 19.352 1.732 0.418 0.893 1.000 0.947 CB 1.297 Z: 17 15.405 1.611 0.532 0.899 1.000 0.688 CB 1.116 12 residues pruned to eliminate duplicates Z: 17 20.390 1.860 0.454 0.856 0.938 0.812 CA 1.483 17 residues pruned to eliminate duplicates Z: 16 24.669 1.941 0.861 0.893 0.933 0.600 CB 1.357 16 residues pruned to eliminate duplicates Z: 8 8.796 1.845 0.630 0.595 0.857 0.429 CB 1.178 8 residues pruned to eliminate duplicates Z: 21 34.331 1.946 1.794 0.922 1.000 0.700 CB 0.993 21 residues pruned to eliminate duplicates Z: 12 13.170 1.573 0.459 0.917 1.000 0.909 CB 1.221 13 residues pruned to eliminate duplicates Z: 15 28.579 1.862 0.978 0.877 1.000 0.714 CB 1.506 15 residues pruned to eliminate duplicates Z: 28 33.532 1.899 1.151 0.931 0.963 0.889 CB 1.146 28 residues pruned to eliminate duplicates Z: 42 26.286 2.042 0.859 0.463 0.829 0.610 CB 1.354 40 residues pruned to eliminate duplicates Z: 7 2.940 1.452 0.233 0.638 0.833 0.833 CB 0.707 Z: 24 12.438 1.912 0.613 0.353 0.739 0.435 CB 1.334 18 residues pruned to eliminate duplicates Z: 14 16.411 1.928 0.830 0.553 0.846 0.692 CA 1.448 10 residues pruned to eliminate duplicates Z: 13 24.342 1.881 0.958 0.839 1.000 0.750 CB 1.425 13 residues pruned to eliminate duplicates Z: 14 22.635 1.944 0.570 0.914 1.000 0.923 CB 1.454 14 residues pruned to eliminate duplicates Z: 28 24.457 1.907 0.814 0.596 0.926 0.704 CB 1.341 28 residues pruned to eliminate duplicates Z: 18 27.252 1.859 0.792 0.860 1.000 0.765 CA 1.459 18 residues pruned to eliminate duplicates Z: 17 19.125 2.010 0.749 0.543 0.875 0.750 CB 1.490 16 residues pruned to eliminate duplicates Z: 23 19.141 2.008 0.909 0.427 0.864 0.455 CB 1.330 23 residues pruned to eliminate duplicates Z: 9 21.914 2.028 0.909 0.914 1.000 0.500 CB 1.415 9 residues pruned to eliminate duplicates Z: 13 19.040 1.859 0.501 0.862 1.000 0.917 CB 1.446 13 residues pruned to eliminate duplicates Z: 10 17.262 1.764 1.037 0.895 1.000 0.444 CB 1.148 10 residues pruned to eliminate duplicates Z: 15 19.914 1.822 0.689 0.917 0.929 0.643 CB 1.315 15 residues pruned to eliminate duplicates Z: 15 20.457 1.893 0.807 0.819 0.929 0.643 CB 1.305 15 residues pruned to eliminate duplicates Z: 31 42.515 2.052 1.113 0.898 0.900 0.267 CB 1.423 31 residues pruned to eliminate duplicates Z: 13 9.979 1.692 0.536 0.389 0.917 0.500 O 1.359 10 residues pruned to eliminate duplicates Z: 26 23.285 1.753 0.700 0.843 0.920 0.680 CB 1.265 26 residues pruned to eliminate duplicates Z: 13 27.493 1.960 1.110 0.825 1.000 0.583 CB 1.449 13 residues pruned to eliminate duplicates Z: 11 16.476 1.848 0.398 0.851 1.000 0.800 CB 1.493 11 residues pruned to eliminate duplicates Z: 15 16.662 1.800 0.515 0.899 0.929 0.571 CB 1.257 15 residues pruned to eliminate duplicates Z: 8 15.555 1.890 0.584 0.864 1.000 0.857 CA 1.440 8 residues pruned to eliminate duplicates Z: 9 17.781 1.890 0.620 0.810 1.000 0.625 CA 1.567 9 residues pruned to eliminate duplicates Z: 16 14.893 1.661 0.415 0.910 0.933 0.667 CB 1.244 16 residues pruned to eliminate duplicates Z: 31 45.642 2.063 0.941 0.928 1.000 0.600 CA 1.458 31 residues pruned to eliminate duplicates Z: 22 18.219 1.711 0.376 0.927 0.952 0.810 CB 1.242 22 residues pruned to eliminate duplicates Z: 7 10.839 1.909 0.374 0.843 1.000 1.000 CB 1.256 7 residues pruned to eliminate duplicates Z: 18 14.494 1.644 0.513 0.921 0.941 0.588 CB 1.057 17 residues pruned to eliminate duplicates Z: 60 36.277 1.859 0.721 0.683 0.898 0.576 CB 1.388 61 residues pruned to eliminate duplicates Z: 6 6.280 1.531 0.472 0.837 1.000 1.000 CA 0.932 6 residues pruned to eliminate duplicates Z: 18 23.680 1.869 0.916 0.869 0.882 0.412 CB 1.327 18 residues pruned to eliminate duplicates Z: 21 29.796 1.818 0.987 0.865 1.000 0.600 CB 1.351 20 residues pruned to eliminate duplicates Z: 12 18.200 1.788 0.728 0.830 0.909 0.727 CA 1.468 12 residues pruned to eliminate duplicates Z: 16 11.781 1.606 0.179 0.918 1.000 0.867 O 1.132 15 residues pruned to eliminate duplicates Z: 11 9.668 1.689 0.548 0.862 0.900 0.800 CB 0.953 11 residues pruned to eliminate duplicates Z: 17 22.771 1.850 1.006 0.768 0.875 0.750 CB 1.382 15 residues pruned to eliminate duplicates Z: 12 26.092 1.780 1.010 0.920 1.000 1.000 CB 1.548 12 residues pruned to eliminate duplicates Z: 24 27.095 1.826 1.124 0.872 0.870 0.652 CB 1.222 24 residues pruned to eliminate duplicates Z: 16 26.750 1.933 0.916 0.877 0.867 0.533 CB 1.562 16 residues pruned to eliminate duplicates Z: 21 18.556 1.895 0.629 0.691 0.900 0.700 CB 1.255 21 residues pruned to eliminate duplicates Z: 17 12.796 1.548 0.699 0.860 0.875 0.625 CB 1.022 17 residues pruned to eliminate duplicates Z: 13 15.382 1.865 0.309 0.881 1.000 0.917 CB 1.317 13 residues pruned to eliminate duplicates Z: 7 8.093 1.705 0.547 0.620 1.000 0.667 CB 1.119 Z: 30 24.972 1.883 0.748 0.638 0.897 0.621 CB 1.382 30 residues pruned to eliminate duplicates Z: 14 15.851 1.880 0.802 0.923 0.846 0.538 CB 1.078 14 residues pruned to eliminate duplicates Z: 7 2.592 1.846 -0.277 0.520 0.667 0.500 CB 1.166 Z: 10 20.307 1.972 0.647 0.897 1.000 0.778 CB 1.492 10 residues pruned to eliminate duplicates Z: 11 16.971 1.860 0.476 0.853 1.000 0.800 CA 1.444 11 residues pruned to eliminate duplicates Z: 9 18.000 1.951 0.666 0.897 1.000 0.875 CB 1.401 9 residues pruned to eliminate duplicates Z: 9 7.023 1.994 0.278 0.343 0.875 0.500 CB 1.321 12 residues pruned to eliminate duplicates Z: 13 11.710 1.655 0.477 0.886 1.000 0.833 CB 0.998 Z: 9 6.075 1.633 0.213 0.763 0.875 0.500 CB 0.981 9 residues pruned to eliminate duplicates Z: 12 7.733 1.782 0.523 0.505 0.818 0.727 CB 1.045 Z: 32 15.073 1.844 0.520 0.483 0.903 0.774 CB 1.087 32 residues pruned to eliminate duplicates Z: 13 15.899 1.825 0.526 0.912 1.000 0.833 CB 1.167 12 residues pruned to eliminate duplicates Z: 26 32.027 1.838 0.993 0.873 0.920 0.440 CB 1.384 26 residues pruned to eliminate duplicates Z: 8 4.044 1.772 0.259 0.405 0.714 0.571 CB 1.060 Z: 15 19.883 1.868 0.614 0.870 1.000 0.929 CB 1.287 15 residues pruned to eliminate duplicates Z: 9 6.503 1.649 0.261 0.508 0.875 0.875 O 1.254 7 residues pruned to eliminate duplicates Z: 9 18.371 1.997 0.799 0.769 1.000 0.500 CB 1.424 9 residues pruned to eliminate duplicates Z: 14 12.920 1.718 0.406 0.869 1.000 0.692 CB 1.084 13 residues pruned to eliminate duplicates Z: 17 25.956 1.853 0.918 0.901 0.938 0.750 CB 1.390 17 residues pruned to eliminate duplicates Z: 7 4.921 1.554 0.332 0.629 0.833 0.667 CB 1.031 7 residues pruned to eliminate duplicates Z: 8 14.220 1.991 0.506 0.890 0.857 0.714 CB 1.504 8 residues pruned to eliminate duplicates Z: 9 17.849 1.883 0.626 0.870 1.000 0.875 CA 1.504 9 residues pruned to eliminate duplicates Z: 18 18.770 1.698 0.466 0.818 1.000 0.706 CA 1.388 18 residues pruned to eliminate duplicates Z: 39 17.880 1.890 0.738 0.462 0.842 0.500 CB 1.090 41 residues pruned to eliminate duplicates Z: 15 21.407 1.729 0.860 0.890 0.857 0.714 CA 1.493 15 residues pruned to eliminate duplicates Z: 15 23.115 1.975 0.640 0.911 0.929 0.429 CB 1.457 15 residues pruned to eliminate duplicates Z: 22 31.534 1.925 0.875 0.905 1.000 0.952 CB 1.357 22 residues pruned to eliminate duplicates Z: 25 20.487 1.740 0.373 0.868 0.958 0.875 CA 1.335 25 residues pruned to eliminate duplicates Z: 25 27.760 2.064 1.322 0.494 0.833 0.625 CB 1.428 15 residues pruned to eliminate duplicates Z: 15 20.313 1.865 0.736 0.917 1.000 0.643 CB 1.184 15 residues pruned to eliminate duplicates Z: 31 45.244 2.052 1.019 0.934 0.967 0.767 CB 1.438 31 residues pruned to eliminate duplicates Z: 16 27.985 1.999 0.740 0.896 0.933 0.867 CA 1.595 16 residues pruned to eliminate duplicates Z: 31 25.723 1.889 0.808 0.602 0.933 0.633 CB 1.337 31 residues pruned to eliminate duplicates Z: 17 17.996 1.837 0.594 0.753 0.875 0.688 CB 1.402 17 residues pruned to eliminate duplicates Z: 17 21.711 1.850 0.704 0.846 0.875 0.812 CB 1.461 17 residues pruned to eliminate duplicates Z: 13 16.848 1.753 0.664 0.884 1.000 0.500 CB 1.205 13 residues pruned to eliminate duplicates Z: 23 29.782 1.895 0.763 0.899 0.955 0.727 CB 1.423 23 residues pruned to eliminate duplicates Z: 7 5.720 1.701 0.147 0.690 0.833 0.667 CB 1.207 Z: 15 19.156 1.815 0.765 0.880 1.000 0.857 CB 1.158 15 residues pruned to eliminate duplicates Z: 28 27.337 1.862 0.912 0.651 0.852 0.444 CB 1.506 28 residues pruned to eliminate duplicates Z: 43 41.633 1.894 1.004 0.851 0.905 0.524 CB 1.384 43 residues pruned to eliminate duplicates Z: 29 40.967 2.020 1.040 0.920 0.929 0.643 CB 1.425 29 residues pruned to eliminate duplicates Z: 11 28.458 2.073 1.165 0.865 1.000 0.700 CA 1.469 11 residues pruned to eliminate duplicates Z: 14 17.939 1.822 0.668 0.878 1.000 0.538 CB 1.188 14 residues pruned to eliminate duplicates Z: 17 6.734 1.590 0.356 0.428 0.812 0.562 CB 1.035 Z: 15 17.126 1.912 0.715 0.520 0.929 0.500 CB 1.474 16 residues pruned to eliminate duplicates Z: 19 12.511 1.880 0.661 0.380 0.944 0.444 CB 1.137 16 residues pruned to eliminate duplicates Z: 7 2.209 1.522 0.265 0.346 0.833 0.500 CB 0.665 Z: 13 25.863 1.818 0.881 0.903 1.000 0.917 CB 1.556 12 residues pruned to eliminate duplicates Z: 6 4.261 1.783 0.312 0.542 0.800 0.400 CB 0.977 Z: 8 19.753 2.024 0.749 0.888 1.000 0.714 CB 1.519 8 residues pruned to eliminate duplicates Z: 10 20.118 1.880 0.820 0.875 1.000 0.667 CA 1.425 10 residues pruned to eliminate duplicates Z: 24 28.276 1.879 1.194 0.899 0.913 0.783 CB 1.120 24 residues pruned to eliminate duplicates Z: 26 26.543 1.971 0.826 0.579 0.920 0.600 CB 1.486 26 residues pruned to eliminate duplicates Z: 15 18.445 1.760 0.386 0.897 1.000 0.929 CA 1.447 14 residues pruned to eliminate duplicates Z: 9 21.706 1.955 1.153 0.859 0.875 0.625 CB 1.534 9 residues pruned to eliminate duplicates Z: 12 16.184 1.855 0.503 0.894 0.818 0.818 CB 1.534 12 residues pruned to eliminate duplicates Z: 29 28.845 2.038 0.852 0.550 0.929 0.643 CB 1.482 32 residues pruned to eliminate duplicates Z: 13 18.846 1.653 0.808 0.900 1.000 0.833 CA 1.300 11 residues pruned to eliminate duplicates Z: 6 7.721 1.742 0.399 0.815 0.800 0.800 CA 1.347 6 residues pruned to eliminate duplicates Z: 6 2.960 1.566 0.392 0.463 1.000 0.800 CB 0.631 Z: 11 17.638 1.738 0.777 0.840 1.000 0.800 CB 1.348 9 residues pruned to eliminate duplicates Z: 16 24.626 1.927 0.847 0.825 0.867 0.533 CB 1.555 16 residues pruned to eliminate duplicates Z: 15 22.009 2.140 0.541 0.725 0.929 0.643 CB 1.568 16 residues pruned to eliminate duplicates Z: 6 4.359 1.539 0.479 0.515 0.800 0.600 CA 1.055 Z: 12 11.634 1.735 0.707 0.414 0.909 0.636 CB 1.424 12 residues pruned to eliminate duplicates Z: 24 32.168 1.894 1.002 0.914 1.000 0.435 CB 1.251 24 residues pruned to eliminate duplicates Z: 6 4.252 1.518 0.538 0.297 0.800 0.600 C 1.278 Z: 17 20.855 1.781 0.609 0.901 1.000 0.812 CB 1.299 17 residues pruned to eliminate duplicates Z: 15 25.682 1.955 0.641 0.939 1.000 0.929 CA 1.487 15 residues pruned to eliminate duplicates Z: 12 11.141 1.973 0.167 0.864 0.909 0.727 CA 1.177 12 residues pruned to eliminate duplicates Z: 23 27.689 1.916 0.610 0.787 0.909 0.682 CB 1.635 23 residues pruned to eliminate duplicates Z: 22 23.426 1.848 0.790 0.925 0.905 0.381 CB 1.199 22 residues pruned to eliminate duplicates Z: 9 4.991 1.643 0.483 0.513 0.625 0.250 CB 1.144 9 residues pruned to eliminate duplicates Z: 17 8.238 1.662 0.356 0.640 0.750 0.625 CB 1.068 17 residues pruned to eliminate duplicates Z: 19 26.775 2.046 0.722 0.695 0.944 0.667 CB 1.587 22 residues pruned to eliminate duplicates Z: 9 16.537 1.935 0.625 0.878 1.000 0.625 CB 1.349 9 residues pruned to eliminate duplicates Z: 27 28.886 1.923 0.826 0.721 0.923 0.808 CB 1.432 17 residues pruned to eliminate duplicates Z: 18 21.265 1.790 0.580 0.866 0.941 0.706 CA 1.418 18 residues pruned to eliminate duplicates Z: 29 22.136 1.896 0.702 0.635 0.929 0.464 CB 1.230 29 residues pruned to eliminate duplicates Z: 20 31.367 1.913 0.863 0.916 1.000 0.579 CB 1.425 20 residues pruned to eliminate duplicates Z: 14 19.416 1.903 0.562 0.863 0.923 0.923 CA 1.440 14 residues pruned to eliminate duplicates Z: 15 20.877 1.947 0.530 0.908 0.929 0.929 CB 1.433 15 residues pruned to eliminate duplicates Z: 13 5.846 1.578 0.253 0.486 0.750 0.500 CB 1.154 16 residues pruned to eliminate duplicates Z: 12 16.187 1.810 0.808 0.861 0.909 0.545 CB 1.205 12 residues pruned to eliminate duplicates Z: 9 20.326 1.797 0.813 0.906 1.000 1.000 CB 1.569 9 residues pruned to eliminate duplicates Z: 6 4.204 1.571 -0.080 0.702 1.000 0.600 CB 1.083 Z: 23 27.036 1.869 0.649 0.899 0.955 0.727 CB 1.401 23 residues pruned to eliminate duplicates Z: 13 19.018 1.759 0.595 0.877 1.000 0.667 CA 1.421 13 residues pruned to eliminate duplicates Z: 27 22.293 1.868 0.425 0.671 0.962 0.654 CB 1.459 27 residues pruned to eliminate duplicates Z: 27 39.173 2.185 1.055 0.731 0.962 0.692 CB 1.446 28 residues pruned to eliminate duplicates Z: 8 14.444 1.975 0.759 0.878 1.000 0.429 CB 1.140 8 residues pruned to eliminate duplicates Z: 10 16.229 2.087 0.193 0.824 1.000 0.889 CB 1.641 10 residues pruned to eliminate duplicates Z: 27 36.752 1.926 1.027 0.940 1.000 0.577 CB 1.282 27 residues pruned to eliminate duplicates Z: 12 25.883 2.062 0.936 0.928 0.909 0.364 CB 1.506 12 residues pruned to eliminate duplicates Z: 9 13.303 1.737 0.518 0.786 1.000 0.375 CB 1.386 8 residues pruned to eliminate duplicates Z: 16 22.985 1.807 0.627 0.881 1.000 0.733 CA 1.463 17 residues pruned to eliminate duplicates Z: 18 16.841 1.667 0.550 0.935 1.000 0.824 CB 1.102 18 residues pruned to eliminate duplicates Z: 12 11.711 1.813 0.271 0.855 1.000 0.818 CB 1.130 12 residues pruned to eliminate duplicates Z: 25 22.915 1.794 0.500 0.870 0.958 0.708 CB 1.323 25 residues pruned to eliminate duplicates Z: 11 19.147 2.018 0.823 0.824 0.900 0.700 CB 1.381 11 residues pruned to eliminate duplicates Z: 15 17.959 1.830 0.711 0.911 0.786 0.429 CB 1.383 15 residues pruned to eliminate duplicates Z: 14 17.523 1.888 0.635 0.885 0.769 0.462 CA 1.477 14 residues pruned to eliminate duplicates Z: 7 15.398 1.930 0.434 0.868 1.000 0.833 CB 1.660 7 residues pruned to eliminate duplicates Z: 21 20.371 1.652 0.671 0.899 1.000 0.850 CB 1.180 24 residues pruned to eliminate duplicates Z: 15 20.910 1.823 0.646 0.884 1.000 0.786 CB 1.345 16 residues pruned to eliminate duplicates Z: 6 7.417 1.714 0.588 0.883 0.800 0.800 CB 1.101 6 residues pruned to eliminate duplicates Z: 6 11.577 1.648 0.595 0.881 1.000 0.800 CB 1.426 Z: 30 18.984 1.836 0.726 0.593 0.897 0.414 CB 1.135 30 residues pruned to eliminate duplicates Z: 18 19.809 1.792 0.672 0.846 0.882 0.882 CB 1.349 18 residues pruned to eliminate duplicates Z: 8 6.499 1.451 0.430 0.626 0.857 0.143 C 1.227 8 residues pruned to eliminate duplicates Z: 10 7.129 1.907 0.121 0.592 0.889 0.778 CB 1.146 10 residues pruned to eliminate duplicates Z: 16 26.930 1.929 0.653 0.929 1.000 0.933 CB 1.526 16 residues pruned to eliminate duplicates Z: 13 20.615 1.872 0.620 0.922 1.000 0.917 CB 1.380 13 residues pruned to eliminate duplicates Z: 14 19.273 1.872 0.479 0.892 0.923 0.846 CB 1.503 14 residues pruned to eliminate duplicates Z: 12 7.918 1.675 0.624 0.341 0.818 0.455 CA 1.276 12 residues pruned to eliminate duplicates Z: 58 56.811 2.093 0.950 0.795 0.947 0.842 CB 1.503 58 residues pruned to eliminate duplicates Z: 10 4.370 1.568 0.268 0.477 0.889 0.778 CB 0.844 Z: 30 56.747 2.145 1.137 0.938 1.000 0.793 CA 1.599 30 residues pruned to eliminate duplicates Z: 26 13.881 1.827 0.749 0.464 0.680 0.640 CA 1.325 26 residues pruned to eliminate duplicates Z: 11 23.415 2.068 1.171 0.841 0.800 0.500 CB 1.538 11 residues pruned to eliminate duplicates Z: 10 4.605 1.790 0.584 0.438 0.667 0.667 CB 0.865 Z: 6 2.412 1.726 0.248 0.191 0.600 0.200 CB 1.208 Z: 39 25.157 2.070 0.793 0.449 0.868 0.526 CB 1.334 43 residues pruned to eliminate duplicates Z: 8 14.675 1.903 0.392 0.822 1.000 0.571 CB 1.583 8 residues pruned to eliminate duplicates Z: 80 41.536 2.056 0.788 0.504 0.899 0.608 CB 1.409 89 residues pruned to eliminate duplicates Z: 24 25.657 1.809 0.632 0.891 0.957 0.826 CA 1.361 24 residues pruned to eliminate duplicates Z: 24 24.198 1.785 0.677 0.867 0.957 0.696 CB 1.289 26 residues pruned to eliminate duplicates Z: 28 33.710 1.807 0.821 0.915 1.000 0.741 CB 1.394 28 residues pruned to eliminate duplicates Z: 20 18.359 1.683 0.671 0.863 0.947 0.579 CB 1.159 20 residues pruned to eliminate duplicates Z: 10 13.438 1.926 0.625 0.721 0.889 0.778 CB 1.319 10 residues pruned to eliminate duplicates Z: 14 21.777 1.896 1.046 0.816 0.846 0.615 CB 1.399 14 residues pruned to eliminate duplicates Z: 11 23.833 1.777 0.860 0.905 1.000 1.000 CB 1.623 11 residues pruned to eliminate duplicates Z: 17 19.276 1.780 0.561 0.845 0.938 0.750 CA 1.375 17 residues pruned to eliminate duplicates Z: 7 12.181 1.922 0.518 0.772 1.000 0.833 CB 1.339 7 residues pruned to eliminate duplicates Z: 8 7.474 1.456 0.522 0.783 1.000 0.714 CB 0.993 8 residues pruned to eliminate duplicates Z: 21 24.819 1.795 0.670 0.930 1.000 0.750 CB 1.294 21 residues pruned to eliminate duplicates Z: 16 28.430 1.964 0.921 0.897 0.933 0.733 CB 1.492 16 residues pruned to eliminate duplicates Z: 32 20.360 2.063 0.874 0.296 0.871 0.484 CB 1.364 29 residues pruned to eliminate duplicates Z: 6 9.386 1.686 0.317 0.758 1.000 0.800 CA 1.502 6 residues pruned to eliminate duplicates Z: 8 6.629 1.488 0.687 0.670 0.857 0.571 CB 0.994 8 residues pruned to eliminate duplicates Z: 39 26.352 1.879 0.719 0.589 0.947 0.553 CB 1.283 27 residues pruned to eliminate duplicates Z: 8 5.592 1.579 0.435 0.549 0.857 0.571 CB 1.037 8 residues pruned to eliminate duplicates Z: 7 4.720 1.840 0.373 0.291 0.667 0.667 CA 1.446 7 residues pruned to eliminate duplicates Z: 14 14.149 1.795 0.637 0.798 0.846 0.538 CB 1.216 14 residues pruned to eliminate duplicates Z: 22 31.783 1.849 0.958 0.911 0.952 0.429 CB 1.425 22 residues pruned to eliminate duplicates Z: 22 13.079 1.745 0.553 0.544 0.857 0.619 CB 1.177 22 residues pruned to eliminate duplicates Z: 28 18.337 1.755 0.629 0.587 0.778 0.593 CA 1.460 28 residues pruned to eliminate duplicates Z: 13 16.265 1.790 0.647 0.896 0.833 0.750 CB 1.368 13 residues pruned to eliminate duplicates Z: 17 20.736 1.823 0.644 0.821 0.938 0.688 CB 1.396 17 residues pruned to eliminate duplicates Z: 10 12.873 1.971 0.622 0.641 0.778 0.667 CA 1.513 10 residues pruned to eliminate duplicates Z: 12 17.887 1.940 0.427 0.856 1.000 0.909 CA 1.437 12 residues pruned to eliminate duplicates Z: 6 12.134 1.952 0.773 0.896 1.000 1.000 CB 1.123 6 residues pruned to eliminate duplicates Z: 11 18.362 1.859 0.923 0.895 1.000 0.600 CB 1.164 Z: 7 2.791 1.669 0.060 0.602 0.667 0.500 CB 0.877 Z: 23 36.692 2.068 1.101 0.917 0.864 0.591 CB 1.471 23 residues pruned to eliminate duplicates Z: 21 12.960 1.794 0.448 0.404 0.900 0.450 CB 1.372 26 residues pruned to eliminate duplicates Z: 17 19.779 1.847 0.623 0.837 0.875 0.812 CA 1.410 17 residues pruned to eliminate duplicates Z: 11 20.031 2.015 0.865 0.885 1.000 0.800 CA 1.217 11 residues pruned to eliminate duplicates Z: 27 33.150 1.905 1.365 0.886 0.808 0.538 CB 1.289 27 residues pruned to eliminate duplicates Z: 16 13.145 1.524 0.591 0.877 1.000 0.733 CB 1.016 16 residues pruned to eliminate duplicates Z: 14 13.958 1.530 0.702 0.881 1.000 0.615 CB 1.076 12 residues pruned to eliminate duplicates Z: 16 12.175 1.746 0.877 0.416 0.867 0.600 CB 1.209 16 residues pruned to eliminate duplicates Z: 19 24.875 2.051 1.039 0.636 0.778 0.444 CB 1.587 19 residues pruned to eliminate duplicates Z: 18 24.135 1.828 0.723 0.839 0.941 0.706 CA 1.475 18 residues pruned to eliminate duplicates 7 1.522 1.507 0.165 0.244 0.833 0.333 CB 0.571 ? Z: 16 23.210 1.847 0.721 0.885 0.933 0.733 CA 1.459 17 residues pruned to eliminate duplicates Z: 31 50.503 2.068 1.386 0.933 0.967 0.567 CB 1.349 31 residues pruned to eliminate duplicates Z: 10 16.369 1.959 0.736 0.898 0.889 0.778 CB 1.291 10 residues pruned to eliminate duplicates Z: 18 22.956 1.771 0.662 0.850 1.000 0.647 CA 1.401 18 residues pruned to eliminate duplicates Z: 17 4.797 1.558 0.580 0.357 0.625 0.312 CB 0.910 17 residues pruned to eliminate duplicates Z: 15 24.279 1.799 0.958 0.864 1.000 0.714 CB 1.350 15 residues pruned to eliminate duplicates Z: 6 4.148 1.681 0.272 0.563 0.600 0.400 CA 1.361 6 residues pruned to eliminate duplicates Z: 14 17.560 1.806 0.459 0.929 1.000 0.923 CB 1.293 14 residues pruned to eliminate duplicates Z: 9 7.766 1.798 0.528 0.514 0.875 0.625 CB 1.127 7 residues pruned to eliminate duplicates Z: 15 10.475 1.496 0.562 0.757 0.857 0.786 CB 1.111 15 residues pruned to eliminate duplicates Z: 7 4.941 1.908 0.326 0.659 1.000 1.000 CB 0.688 7 residues pruned to eliminate duplicates Z: 16 24.991 2.007 0.527 0.863 0.933 0.867 CB 1.654 16 residues pruned to eliminate duplicates Z: 39 29.637 1.891 0.673 0.737 0.895 0.553 CB 1.372 39 residues pruned to eliminate duplicates Z: 10 24.323 1.961 0.961 0.863 1.000 0.444 CB 1.546 10 residues pruned to eliminate duplicates Z: 18 10.847 1.806 0.836 0.381 0.706 0.412 CB 1.276 18 residues pruned to eliminate duplicates Z: 9 20.613 1.984 0.931 0.846 0.875 0.875 CA 1.615 9 residues pruned to eliminate duplicates Z: 10 3.788 1.524 0.263 0.365 0.889 0.222 CB 0.853 Z: 12 15.566 1.824 0.834 0.927 1.000 0.455 CB 0.984 12 residues pruned to eliminate duplicates Z: 17 23.839 1.852 0.715 0.889 0.938 0.875 CA 1.442 16 residues pruned to eliminate duplicates Z: 29 38.770 1.961 0.820 0.927 1.000 0.893 CA 1.438 29 residues pruned to eliminate duplicates Z: 30 31.733 1.852 1.100 0.909 0.897 0.586 CB 1.199 30 residues pruned to eliminate duplicates Z: 20 35.048 2.007 1.182 0.887 0.895 0.421 CB 1.479 20 residues pruned to eliminate duplicates Z: 13 17.932 1.822 0.711 0.913 1.000 0.500 CB 1.175 13 residues pruned to eliminate duplicates Z: 15 8.026 1.752 0.681 0.433 0.714 0.500 CB 1.093 15 residues pruned to eliminate duplicates Z: 8 8.032 1.924 0.633 0.435 0.857 0.571 N 1.205 Z: 9 19.901 1.877 0.902 0.902 1.000 1.000 CA 1.406 9 residues pruned to eliminate duplicates Z: 11 16.593 1.902 0.362 0.912 1.000 1.000 CB 1.435 11 residues pruned to eliminate duplicates Z: 8 14.184 1.652 0.692 0.837 1.000 0.714 CA 1.434 8 residues pruned to eliminate duplicates Z: 29 45.435 2.015 1.275 0.933 0.929 0.607 CB 1.408 29 residues pruned to eliminate duplicates Z: 25 22.853 2.008 1.108 0.523 0.792 0.583 CB 1.361 19 residues pruned to eliminate duplicates Z: 10 9.920 1.531 0.344 0.889 1.000 0.889 CA 1.157 10 residues pruned to eliminate duplicates Z: 12 9.254 1.606 0.344 0.867 1.000 0.909 CB 0.946 12 residues pruned to eliminate duplicates Z: 8 2.214 1.737 0.677 0.549 1.000 0.714 CB 0.274 Z: 25 23.654 1.821 0.637 0.805 0.958 0.708 CA 1.295 25 residues pruned to eliminate duplicates Z: 15 11.969 1.839 0.690 0.453 0.786 0.571 CB 1.374 15 residues pruned to eliminate duplicates Z: 11 8.610 1.764 0.475 0.726 0.900 0.700 CB 0.948 11 residues pruned to eliminate duplicates Z: 26 13.449 1.750 0.337 0.422 0.880 0.560 CB 1.417 30 residues pruned to eliminate duplicates Z: 11 10.381 1.662 0.289 0.883 0.900 0.800 CB 1.231 11 residues pruned to eliminate duplicates Z: 9 5.937 1.671 -0.037 0.703 1.000 0.750 CB 1.084 8 residues pruned to eliminate duplicates Z: 17 27.726 1.952 0.983 0.940 0.938 0.938 CA 1.326 17 residues pruned to eliminate duplicates Z: 6 2.919 1.452 0.118 0.642 0.800 0.600 CB 0.881 Z: 12 15.512 1.760 0.365 0.921 1.000 0.909 CB 1.370 12 residues pruned to eliminate duplicates Z: 14 16.820 1.810 0.579 0.895 1.000 0.538 CB 1.171 14 residues pruned to eliminate duplicates Z: 8 21.795 2.179 0.803 0.868 1.000 0.857 CB 1.533 8 residues pruned to eliminate duplicates Z: 14 16.893 1.955 0.714 0.831 0.846 0.615 CB 1.242 14 residues pruned to eliminate duplicates Z: 24 27.648 1.838 0.864 0.912 0.913 0.652 CB 1.305 24 residues pruned to eliminate duplicates Z: 14 21.329 1.993 0.399 0.875 1.000 0.846 CB 1.543 14 residues pruned to eliminate duplicates Z: 31 23.724 1.846 0.795 0.633 0.933 0.567 CB 1.236 31 residues pruned to eliminate duplicates Z: 23 26.088 1.744 0.794 0.846 1.000 0.909 CB 1.321 23 residues pruned to eliminate duplicates Z: 17 23.667 1.845 0.669 0.824 1.000 0.750 CB 1.451 17 residues pruned to eliminate duplicates Z: 11 12.348 1.914 0.459 0.498 0.900 0.600 CB 1.557 11 residues pruned to eliminate duplicates Z: 28 39.096 1.828 1.121 0.926 0.963 0.778 CB 1.413 28 residues pruned to eliminate duplicates Z: 15 29.669 1.939 1.026 0.893 0.929 0.857 CA 1.561 15 residues pruned to eliminate duplicates Z: 60 31.916 2.010 0.751 0.446 0.864 0.525 CB 1.443 62 residues pruned to eliminate duplicates Z: 47 26.374 2.000 0.763 0.482 0.891 0.435 CB 1.260 55 residues pruned to eliminate duplicates Z: 6 6.983 2.011 0.406 0.584 0.800 0.800 CB 1.273 6 residues pruned to eliminate duplicates Z: 12 22.383 2.107 0.664 0.885 0.909 0.818 CB 1.529 12 residues pruned to eliminate duplicates Z: 9 9.750 1.438 1.244 0.812 1.000 0.750 CB 0.814 8 residues pruned to eliminate duplicates Z: 30 36.064 1.931 0.817 0.906 0.966 0.862 CB 1.406 30 residues pruned to eliminate duplicates Z: 9 11.856 1.733 0.545 0.896 1.000 1.000 CA 1.122 9 residues pruned to eliminate duplicates Z: 13 6.519 1.791 0.134 0.488 0.833 0.500 CB 1.126 13 residues pruned to eliminate duplicates Z: 8 8.232 1.788 0.442 0.565 1.000 1.000 CB 1.133 7 residues pruned to eliminate duplicates Z: 9 9.209 1.736 0.404 0.667 0.875 0.500 CB 1.308 9 residues pruned to eliminate duplicates Z: 13 10.973 1.599 0.433 0.875 0.917 0.833 CB 1.097 11 residues pruned to eliminate duplicates Z: 6 2.644 1.518 0.344 0.312 0.600 0.200 N 1.189 Z: 20 16.384 1.955 0.616 0.462 0.895 0.421 CB 1.383 20 residues pruned to eliminate duplicates Z: 13 12.181 1.766 0.485 0.870 0.917 0.750 CB 1.068 13 residues pruned to eliminate duplicates Z: 12 12.716 1.701 0.527 0.851 0.909 0.727 CA 1.202 12 residues pruned to eliminate duplicates Z: 10 7.918 1.688 0.466 0.460 0.889 0.778 CB 1.249 11 residues pruned to eliminate duplicates Z: 7 19.947 2.249 1.023 0.900 1.000 0.833 CB 1.278 7 residues pruned to eliminate duplicates 6 1.673 1.385 0.326 0.496 0.600 0.600 CB 0.682 ? Z: 10 18.290 1.949 0.826 0.831 1.000 0.556 CA 1.288 10 residues pruned to eliminate duplicates Z: 6 9.836 1.546 1.208 0.725 1.000 0.600 CB 1.052 6 residues pruned to eliminate duplicates Z: 7 20.493 1.853 1.235 0.862 1.000 0.667 N 1.482 7 residues pruned to eliminate duplicates Z: 29 21.779 1.918 0.617 0.553 0.893 0.750 CB 1.411 29 residues pruned to eliminate duplicates Z: 8 10.228 1.635 0.322 0.903 1.000 1.000 CA 1.275 8 residues pruned to eliminate duplicates Z: 18 17.661 1.749 0.366 0.839 1.000 0.824 CB 1.339 18 residues pruned to eliminate duplicates Z: 13 34.160 2.104 1.132 0.915 1.000 0.750 CB 1.553 13 residues pruned to eliminate duplicates Z: 8 3.564 1.610 -0.024 0.413 0.714 0.571 CA 1.315 Z: 11 7.548 1.620 0.429 0.526 0.900 0.800 CB 1.116 11 residues pruned to eliminate duplicates Z: 6 8.492 1.681 0.474 0.807 1.000 0.800 CB 1.173 6 residues pruned to eliminate duplicates Z: 6 10.139 1.649 1.077 0.508 1.000 0.800 O 1.313 6 residues pruned to eliminate duplicates Z: 11 18.286 1.845 0.614 0.876 1.000 0.800 CB 1.411 11 residues pruned to eliminate duplicates Z: 36 33.170 1.909 0.793 0.766 0.971 0.571 CB 1.332 35 residues pruned to eliminate duplicates Z: 16 8.129 1.596 0.768 0.468 0.933 0.467 CB 0.823 Z: 34 24.357 1.855 0.732 0.586 0.818 0.636 CB 1.485 34 residues pruned to eliminate duplicates Z: 17 24.519 1.835 0.792 0.893 1.000 0.812 CA 1.339 17 residues pruned to eliminate duplicates Z: 9 24.223 1.962 0.938 0.905 1.000 0.750 CA 1.603 9 residues pruned to eliminate duplicates Z: 9 3.397 1.590 0.183 0.385 0.875 0.375 CB 0.825 Z: 15 9.298 1.687 0.236 0.493 0.929 0.500 CB 1.293 15 residues pruned to eliminate duplicates Z: 80 38.868 1.844 0.811 0.628 0.886 0.570 CB 1.311 81 residues pruned to eliminate duplicates Z: 17 7.520 1.613 0.346 0.432 0.812 0.375 CB 1.144 17 residues pruned to eliminate duplicates Z: 22 31.775 1.869 0.847 0.908 1.000 0.571 CB 1.427 22 residues pruned to eliminate duplicates Z: 8 6.567 1.939 0.161 0.682 1.000 1.000 CB 0.933 8 residues pruned to eliminate duplicates Z: 22 7.434 1.537 0.363 0.388 0.857 0.571 CB 1.018 18 residues pruned to eliminate duplicates Z: 7 7.228 1.595 0.219 0.798 1.000 0.667 CB 1.169 7 residues pruned to eliminate duplicates Z: 15 20.819 1.822 0.605 0.910 1.000 0.929 CB 1.349 15 residues pruned to eliminate duplicates Z: 14 23.842 1.880 0.698 0.935 1.000 1.000 CB 1.443 14 residues pruned to eliminate duplicates Z: 14 15.860 1.630 0.458 0.865 1.000 0.615 CB 1.356 14 residues pruned to eliminate duplicates Z: 6 15.480 1.990 0.973 0.854 1.000 1.000 CB 1.302 6 residues pruned to eliminate duplicates Z: 10 15.998 1.829 0.694 0.858 1.000 0.778 CB 1.267 10 residues pruned to eliminate duplicates Z: 12 22.695 1.753 0.800 0.905 1.000 0.727 CB 1.542 12 residues pruned to eliminate duplicates Z: 13 17.208 1.830 0.565 0.920 1.000 0.917 CB 1.222 13 residues pruned to eliminate duplicates Z: 18 18.708 1.704 0.524 0.901 0.941 0.765 CB 1.325 18 residues pruned to eliminate duplicates Z: 13 8.048 1.808 0.476 0.443 0.833 0.583 CB 1.108 13 residues pruned to eliminate duplicates Z: 19 17.204 1.910 1.073 0.518 0.833 0.444 CB 1.207 16 residues pruned to eliminate duplicates Z: 26 33.569 1.824 0.955 0.906 1.000 0.680 CA 1.340 26 residues pruned to eliminate duplicates Z: 15 9.989 1.524 0.907 0.494 0.786 0.357 CB 1.176 15 residues pruned to eliminate duplicates Z: 26 16.109 1.821 0.746 0.426 0.880 0.600 CB 1.244 24 residues pruned to eliminate duplicates Z: 13 8.124 1.500 0.195 0.866 1.000 0.917 O 0.957 13 residues pruned to eliminate duplicates Z: 8 6.741 1.660 0.385 0.644 0.857 0.714 CB 1.130 Z: 18 10.463 1.796 0.805 0.344 0.824 0.412 CB 1.126 18 residues pruned to eliminate duplicates Z: 31 23.743 1.854 0.578 0.613 0.933 0.567 CB 1.426 29 residues pruned to eliminate duplicates Z: 9 12.420 1.811 0.601 0.891 1.000 0.875 CB 1.089 9 residues pruned to eliminate duplicates Z: 81 53.018 2.011 0.915 0.704 0.913 0.700 CB 1.401 82 residues pruned to eliminate duplicates Z: 12 18.790 1.748 0.692 0.870 1.000 0.727 CA 1.398 12 residues pruned to eliminate duplicates Z: 18 18.940 1.699 0.709 0.849 0.824 0.706 CA 1.424 18 residues pruned to eliminate duplicates Z: 24 43.091 1.937 1.188 0.923 0.957 0.435 CB 1.558 24 residues pruned to eliminate duplicates Z: 8 6.172 1.767 0.966 0.507 1.000 0.857 CB 0.667 8 residues pruned to eliminate duplicates Z: 14 24.777 1.946 0.701 0.897 0.923 0.615 CA 1.610 14 residues pruned to eliminate duplicates Z: 20 25.673 2.073 1.101 0.609 0.895 0.684 CB 1.363 20 residues pruned to eliminate duplicates Z: 14 19.343 1.772 0.666 0.850 0.923 0.692 O 1.458 14 residues pruned to eliminate duplicates Z: 19 17.460 1.607 0.577 0.904 1.000 0.667 CB 1.157 19 residues pruned to eliminate duplicates Z: 8 16.784 1.828 0.744 0.838 1.000 0.571 CA 1.487 8 residues pruned to eliminate duplicates Z: 11 25.487 2.146 1.260 0.889 1.000 0.700 CB 1.197 11 residues pruned to eliminate duplicates Z: 16 20.685 1.712 0.940 0.851 0.933 0.800 CB 1.275 16 residues pruned to eliminate duplicates Z: 18 20.559 1.817 0.761 0.797 0.824 0.294 CB 1.460 18 residues pruned to eliminate duplicates Z: 11 16.650 1.837 0.500 0.867 1.000 0.800 CB 1.399 11 residues pruned to eliminate duplicates Z: 7 11.030 1.622 0.672 0.834 1.000 0.833 O 1.245 7 residues pruned to eliminate duplicates Z: 19 36.295 2.262 1.216 0.653 0.944 0.722 CB 1.567 19 residues pruned to eliminate duplicates Z: 6 2.245 1.483 0.121 0.400 0.800 0.400 CB 0.839 6 residues pruned to eliminate duplicates Z: 9 6.340 1.787 0.346 0.403 0.750 0.625 CB 1.377 9 residues pruned to eliminate duplicates Z: 15 17.238 1.858 0.782 0.850 0.929 0.643 CB 1.109 15 residues pruned to eliminate duplicates Z: 39 23.196 1.992 0.725 0.438 0.895 0.579 CB 1.305 39 residues pruned to eliminate duplicates Z: 11 15.592 1.825 0.488 0.863 0.900 0.900 CB 1.480 11 residues pruned to eliminate duplicates Z: 28 26.082 1.928 0.833 0.660 0.926 0.741 CB 1.323 28 residues pruned to eliminate duplicates Z: 6 5.657 1.568 -0.024 0.879 1.000 1.000 CB 1.198 6 residues pruned to eliminate duplicates Z: 8 15.882 1.885 0.791 0.697 1.000 0.714 CA 1.485 8 residues pruned to eliminate duplicates Z: 27 29.486 1.912 0.692 0.752 0.962 0.692 CA 1.485 27 residues pruned to eliminate duplicates Z: 16 26.620 1.875 0.919 0.946 1.000 0.800 CB 1.321 16 residues pruned to eliminate duplicates Z: 19 21.261 1.974 0.769 0.458 0.944 0.611 CA 1.586 19 residues pruned to eliminate duplicates Z: 16 27.937 1.856 0.966 0.912 0.933 0.533 CB 1.500 16 residues pruned to eliminate duplicates Z: 9 12.962 1.868 0.738 0.852 0.875 0.500 CB 1.193 9 residues pruned to eliminate duplicates Z: 11 7.865 1.681 0.720 0.386 0.800 0.400 CB 1.214 11 residues pruned to eliminate duplicates Z: 12 12.319 1.677 0.403 0.879 1.000 0.909 CB 1.145 12 residues pruned to eliminate duplicates Z: 16 17.233 1.625 0.589 0.917 1.000 0.933 CB 1.216 16 residues pruned to eliminate duplicates Z: 12 8.987 1.604 0.349 0.852 0.818 0.818 CB 1.132 12 residues pruned to eliminate duplicates Z: 23 22.783 1.816 0.414 0.914 1.000 0.864 CA 1.338 23 residues pruned to eliminate duplicates Z: 11 9.254 1.643 0.467 0.894 0.900 0.700 CB 0.967 5 residues pruned to eliminate duplicates Z: 16 20.639 1.714 0.671 0.894 1.000 0.933 CB 1.335 16 residues pruned to eliminate duplicates Z: 29 18.215 1.822 0.597 0.647 0.786 0.571 CB 1.312 19 residues pruned to eliminate duplicates Z: 25 22.831 1.982 1.075 0.439 0.958 0.500 CB 1.259 24 residues pruned to eliminate duplicates Z: 23 23.478 1.872 0.478 0.886 0.955 0.864 CA 1.368 23 residues pruned to eliminate duplicates Z: 20 27.181 1.866 0.869 0.890 0.895 0.684 CB 1.438 20 residues pruned to eliminate duplicates Z: 31 54.508 2.087 1.231 0.930 1.000 0.733 CB 1.495 31 residues pruned to eliminate duplicates Z: 9 5.658 1.883 0.829 0.376 0.875 0.625 CB 0.758 Z: 8 12.127 1.799 0.595 0.842 1.000 0.857 CB 1.190 8 residues pruned to eliminate duplicates Z: 11 21.275 2.046 0.463 0.851 1.000 0.700 CA 1.664 11 residues pruned to eliminate duplicates Z: 7 2.931 1.568 0.615 0.341 0.500 0.333 CB 1.123 5 residues pruned to eliminate duplicates Z: 14 13.295 1.868 0.330 0.750 1.000 0.615 CB 1.187 14 residues pruned to eliminate duplicates Z: 18 20.620 1.960 0.474 0.823 0.941 0.941 CB 1.390 18 residues pruned to eliminate duplicates Z: 6 2.794 1.519 0.636 0.300 0.600 0.400 N 1.048 Z: 7 3.998 1.592 0.177 0.427 0.833 0.333 N 1.127 6 residues pruned to eliminate duplicates Z: 14 18.451 1.833 0.493 0.915 1.000 1.000 CB 1.321 14 residues pruned to eliminate duplicates Z: 27 37.892 1.960 1.263 0.946 1.000 0.769 CB 1.158 28 residues pruned to eliminate duplicates Z: 27 24.302 1.842 0.644 0.660 0.962 0.731 CA 1.412 27 residues pruned to eliminate duplicates Z: 12 12.386 1.561 0.306 0.904 1.000 0.909 CA 1.305 11 residues pruned to eliminate duplicates 6 1.954 1.409 0.110 0.485 1.000 0.600 CB 0.567 ? Z: 31 32.748 1.999 0.824 0.888 0.900 0.633 CB 1.312 31 residues pruned to eliminate duplicates Z: 8 10.106 1.678 0.314 0.831 1.000 0.714 CA 1.301 8 residues pruned to eliminate duplicates Z: 28 25.472 1.740 0.744 0.865 0.926 0.519 CB 1.279 28 residues pruned to eliminate duplicates Z: 9 12.403 1.662 0.547 0.884 1.000 0.875 CB 1.232 9 residues pruned to eliminate duplicates Z: 8 9.004 1.542 0.472 0.831 1.000 0.714 CB 1.126 8 residues pruned to eliminate duplicates Z: 15 19.181 1.847 0.460 0.883 1.000 1.000 CB 1.375 15 residues pruned to eliminate duplicates Z: 14 17.950 1.750 0.586 0.902 0.923 0.769 CB 1.386 14 residues pruned to eliminate duplicates Z: 12 7.745 1.596 0.449 0.845 0.909 0.909 CB 0.826 12 residues pruned to eliminate duplicates Z: 32 27.146 1.896 0.875 0.551 0.935 0.645 CB 1.394 32 residues pruned to eliminate duplicates Z: 10 5.290 1.459 0.525 0.444 0.889 0.333 CB 0.945 Z: 10 5.099 1.614 0.331 0.378 0.889 0.444 CB 1.013 Z: 18 12.032 1.667 0.843 0.512 0.824 0.647 CB 1.140 18 residues pruned to eliminate duplicates Z: 28 21.650 1.928 0.820 0.559 0.852 0.481 CB 1.316 28 residues pruned to eliminate duplicates Z: 24 22.336 1.789 0.584 0.845 0.957 0.739 CB 1.277 24 residues pruned to eliminate duplicates Z: 12 14.336 1.764 0.513 0.734 0.909 0.727 CA 1.443 12 residues pruned to eliminate duplicates Z: 32 22.590 1.846 0.913 0.521 0.935 0.452 CB 1.203 32 residues pruned to eliminate duplicates Z: 8 3.332 1.610 0.443 0.482 0.571 0.429 CA 0.967 Z: 71 38.358 1.863 0.722 0.644 0.929 0.614 CB 1.346 86 residues pruned to eliminate duplicates Z: 12 13.271 1.645 0.890 0.909 0.909 0.545 CB 1.005 12 residues pruned to eliminate duplicates Z: 67 26.093 1.862 0.759 0.539 0.864 0.682 CB 1.093 67 residues pruned to eliminate duplicates 6 1.565 1.562 0.113 0.441 0.800 0.800 CB 0.534 ? Z: 28 32.532 1.772 0.756 0.922 1.000 0.926 CA 1.415 28 residues pruned to eliminate duplicates Z: 7 3.468 1.453 0.035 0.418 0.833 0.167 CB 1.231 Z: 39 27.428 1.873 0.737 0.722 0.868 0.553 CB 1.289 39 residues pruned to eliminate duplicates Z: 22 30.098 1.898 0.856 0.924 0.952 0.667 CB 1.375 22 residues pruned to eliminate duplicates Z: 9 3.429 1.853 0.538 0.373 0.875 0.625 CB 0.557 9 residues pruned to eliminate duplicates Z: 22 14.360 1.723 0.636 0.411 1.000 0.667 CB 1.221 22 residues pruned to eliminate duplicates Z: 16 24.733 1.907 0.707 0.912 0.933 0.800 CB 1.488 16 residues pruned to eliminate duplicates Z: 8 9.569 1.513 0.787 0.859 0.857 0.571 CB 1.148 8 residues pruned to eliminate duplicates Z: 19 12.639 1.626 0.170 0.915 1.000 0.944 CB 1.106 19 residues pruned to eliminate duplicates Z: 31 51.815 2.093 1.323 0.899 0.967 0.567 CB 1.439 31 residues pruned to eliminate duplicates Z: 14 15.269 1.972 0.686 0.871 0.769 0.462 CB 1.208 Z: 13 29.885 2.036 0.815 0.933 1.000 1.000 CB 1.628 13 residues pruned to eliminate duplicates Z: 8 6.937 1.907 0.333 0.404 0.857 0.714 CB 1.332 8 residues pruned to eliminate duplicates Z: 24 12.862 1.764 0.560 0.403 0.913 0.348 CB 1.182 24 residues pruned to eliminate duplicates Z: 31 22.129 1.984 0.876 0.329 0.933 0.633 CB 1.403 31 residues pruned to eliminate duplicates Z: 11 9.228 1.646 0.840 0.673 0.700 0.500 N 1.174 11 residues pruned to eliminate duplicates Z: 8 5.026 1.527 0.666 0.467 0.714 0.714 N 1.081 Z: 7 5.953 1.892 0.145 0.530 1.000 0.667 CB 1.090 7 residues pruned to eliminate duplicates Z: 30 16.428 1.759 0.585 0.641 0.862 0.655 CB 1.113 30 residues pruned to eliminate duplicates Z: 6 8.327 1.705 1.305 0.563 0.800 0.600 CA 1.115 Z: 41 32.115 2.008 0.947 0.513 0.925 0.525 CB 1.387 41 residues pruned to eliminate duplicates Z: 15 19.022 1.844 0.708 0.893 0.929 0.571 CB 1.248 15 residues pruned to eliminate duplicates Z: 18 10.847 1.737 0.665 0.353 0.824 0.353 N 1.295 18 residues pruned to eliminate duplicates Z: 19 4.605 1.557 0.688 0.216 0.778 0.333 CB 0.741 Z: 11 9.251 1.876 0.882 0.414 0.900 0.600 CB 1.007 11 residues pruned to eliminate duplicates Z: 27 34.618 1.884 1.144 0.895 0.962 0.577 CB 1.253 27 residues pruned to eliminate duplicates Z: 6 3.818 1.557 0.637 0.326 0.800 0.400 CB 1.014 Z: 11 13.307 1.643 0.566 0.892 1.000 0.700 CB 1.174 11 residues pruned to eliminate duplicates Z: 11 10.801 1.758 0.397 0.855 0.900 0.800 CB 1.141 11 residues pruned to eliminate duplicates Z: 23 10.783 1.739 0.382 0.408 0.909 0.500 CB 1.159 23 residues pruned to eliminate duplicates Z: 29 28.882 1.938 0.809 0.638 1.000 0.607 CB 1.367 29 residues pruned to eliminate duplicates Z: 12 20.137 1.942 0.654 0.855 1.000 0.727 CB 1.395 12 residues pruned to eliminate duplicates Z: 13 7.053 1.579 0.370 0.476 0.833 0.667 CB 1.157 10 residues pruned to eliminate duplicates Z: 7 7.062 1.640 0.343 0.776 1.000 0.833 CB 1.026 7 residues pruned to eliminate duplicates Z: 9 16.864 1.858 0.699 0.832 1.000 0.500 CB 1.418 9 residues pruned to eliminate duplicates Z: 23 24.666 1.866 0.818 0.641 0.864 0.591 CB 1.574 23 residues pruned to eliminate duplicates Z: 12 17.014 1.862 0.377 0.915 1.000 1.000 CB 1.415 12 residues pruned to eliminate duplicates Z: 15 17.059 1.781 0.729 0.839 0.929 0.857 CB 1.191 15 residues pruned to eliminate duplicates Z: 8 5.454 1.363 0.293 0.594 1.000 0.714 CB 1.069 7 residues pruned to eliminate duplicates Z: 11 8.974 1.663 0.306 0.625 0.900 0.700 CB 1.291 11 residues pruned to eliminate duplicates Z: 7 5.766 1.782 0.385 0.333 0.833 0.667 CB 1.373 7 residues pruned to eliminate duplicates Z: 23 21.815 2.012 1.126 0.557 0.773 0.591 CB 1.332 23 residues pruned to eliminate duplicates Z: 15 26.187 1.908 0.965 0.907 0.929 0.357 CB 1.429 13 residues pruned to eliminate duplicates Z: 13 23.276 1.919 0.898 0.856 0.917 0.583 CB 1.484 13 residues pruned to eliminate duplicates Z: 17 26.226 1.925 0.868 0.847 1.000 0.688 CB 1.353 17 residues pruned to eliminate duplicates Z: 18 23.957 1.877 0.734 0.792 1.000 0.824 CB 1.382 18 residues pruned to eliminate duplicates Z: 6 5.582 1.675 0.611 0.432 0.800 0.400 CB 1.241 6 1.768 1.186 0.213 0.252 0.800 0.200 C 0.914 ? Z: 6 19.736 2.049 1.326 0.867 1.000 1.000 CB 1.355 18 residues pruned to eliminate duplicates Z: 9 7.377 1.646 0.193 0.813 0.875 0.750 CB 1.156 9 residues pruned to eliminate duplicates Z: 22 19.135 1.743 0.483 0.926 0.952 0.857 CB 1.190 22 residues pruned to eliminate duplicates Z: 10 10.974 1.910 0.627 0.498 1.000 0.889 CB 1.179 10 residues pruned to eliminate duplicates Z: 12 4.931 1.610 0.508 0.237 0.727 0.545 CB 1.142 Z: 13 13.932 1.950 0.442 0.773 0.917 0.750 CA 1.226 13 residues pruned to eliminate duplicates Z: 14 16.811 1.842 0.404 0.923 1.000 1.000 CB 1.267 14 residues pruned to eliminate duplicates Z: 30 25.614 1.844 0.752 0.655 0.897 0.655 CA 1.422 29 residues pruned to eliminate duplicates Z: 9 20.575 1.841 0.923 0.912 1.000 1.000 N 1.456 9 residues pruned to eliminate duplicates Z: 14 8.349 1.614 0.171 0.859 0.923 0.923 CB 0.977 14 residues pruned to eliminate duplicates Z: 14 12.578 2.009 0.890 0.477 0.923 0.692 CB 1.019 14 residues pruned to eliminate duplicates Z: 12 16.369 1.785 0.530 0.814 0.909 0.545 CB 1.512 12 residues pruned to eliminate duplicates Z: 6 2.811 1.292 0.405 0.527 0.800 0.800 O 0.843 Z: 6 3.489 1.766 0.355 0.349 0.600 0.200 N 1.279 Z: 14 6.473 1.576 0.330 0.637 0.846 0.462 CB 0.890 14 residues pruned to eliminate duplicates Z: 18 15.736 1.659 0.623 0.884 0.941 0.529 CB 1.089 18 residues pruned to eliminate duplicates Z: 11 14.335 1.654 0.775 0.904 0.900 0.800 CB 1.222 11 residues pruned to eliminate duplicates Z: 23 13.026 1.936 0.522 0.361 0.818 0.409 CB 1.338 27 residues pruned to eliminate duplicates Z: 18 19.298 1.758 0.676 0.815 0.882 0.824 CA 1.369 18 residues pruned to eliminate duplicates Z: 9 16.591 1.704 0.716 0.836 1.000 0.875 CB 1.501 9 residues pruned to eliminate duplicates Z: 14 18.903 1.810 0.533 0.882 0.923 0.923 CB 1.481 14 residues pruned to eliminate duplicates Z: 9 13.007 1.608 0.917 0.728 1.000 0.875 O 1.215 Z: 29 31.382 1.926 1.018 0.625 0.964 0.679 CB 1.407 29 residues pruned to eliminate duplicates Z: 6 5.212 1.515 0.230 0.755 1.000 0.800 CB 0.998 Z: 16 15.394 1.712 0.604 0.605 1.000 0.600 CB 1.309 16 residues pruned to eliminate duplicates Z: 12 16.449 1.680 1.069 0.881 1.000 0.636 CB 1.033 12 residues pruned to eliminate duplicates Z: 23 17.989 1.726 0.687 0.641 0.818 0.364 CB 1.411 23 residues pruned to eliminate duplicates Z: 31 17.820 1.944 0.711 0.463 0.833 0.433 CB 1.219 31 residues pruned to eliminate duplicates Z: 31 23.916 2.003 0.899 0.600 0.800 0.500 CB 1.305 31 residues pruned to eliminate duplicates Z: 12 9.953 1.636 0.366 0.657 1.000 0.636 CB 1.161 13 residues pruned to eliminate duplicates Z: 8 3.346 1.669 0.400 0.306 0.857 0.429 CB 0.783 8 residues pruned to eliminate duplicates Z: 18 9.207 1.601 0.323 0.567 0.941 0.647 CB 1.050 13 residues pruned to eliminate duplicates Z: 6 9.343 1.781 0.806 0.805 0.800 0.800 N 1.244 6 residues pruned to eliminate duplicates Z: 6 11.977 1.923 0.937 0.850 1.000 0.800 CB 1.065 6 residues pruned to eliminate duplicates Z: 25 30.424 1.859 0.980 0.879 0.958 0.792 CB 1.276 25 residues pruned to eliminate duplicates Z: 22 19.553 1.659 0.494 0.934 1.000 0.571 CB 1.200 22 residues pruned to eliminate duplicates Z: 10 17.012 1.667 0.912 0.926 1.000 0.667 CB 1.248 10 residues pruned to eliminate duplicates 6 1.847 1.669 0.642 0.305 0.600 0.400 CB 0.624 ? Z: 11 15.800 1.809 0.724 0.908 0.900 0.400 CB 1.264 11 residues pruned to eliminate duplicates Z: 10 7.357 1.799 0.751 0.334 0.778 0.333 CB 1.201 10 residues pruned to eliminate duplicates Z: 17 5.284 1.514 0.543 0.309 0.750 0.312 CB 0.931 17 residues pruned to eliminate duplicates Z: 26 24.266 1.766 0.741 0.876 0.920 0.760 CA 1.247 26 residues pruned to eliminate duplicates Z: 30 25.647 2.046 0.916 0.652 0.828 0.517 CB 1.274 30 residues pruned to eliminate duplicates Z: 10 12.188 1.812 0.937 0.872 0.889 0.778 CB 0.949 10 residues pruned to eliminate duplicates Z: 21 15.914 1.636 0.679 0.838 0.950 0.350 CB 1.019 21 residues pruned to eliminate duplicates Z: 6 2.571 1.389 0.901 0.349 0.800 0.600 CB 0.641 Z: 10 15.031 1.860 0.616 0.913 0.889 0.889 CB 1.327 10 residues pruned to eliminate duplicates Z: 23 14.271 1.767 0.491 0.522 0.864 0.364 CB 1.308 23 residues pruned to eliminate duplicates Z: 11 11.527 1.587 0.228 0.889 1.000 1.000 CB 1.346 11 residues pruned to eliminate duplicates Z: 9 4.796 1.611 0.281 0.385 0.750 0.625 CA 1.238 9 residues pruned to eliminate duplicates Z: 8 2.258 1.394 0.834 0.213 0.571 0.286 CB 0.819 Z: 11 19.286 1.780 0.789 0.892 1.000 1.000 CB 1.376 11 residues pruned to eliminate duplicates Z: 16 13.263 1.664 0.760 0.832 0.800 0.533 CB 1.098 16 residues pruned to eliminate duplicates Z: 20 16.167 1.592 0.459 0.908 1.000 0.737 CB 1.134 20 residues pruned to eliminate duplicates Z: 13 11.038 1.783 0.718 0.482 0.917 0.667 CB 1.156 17 residues pruned to eliminate duplicates Z: 7 4.239 1.386 0.429 0.770 0.833 0.667 CB 0.826 7 residues pruned to eliminate duplicates Z: 11 6.843 1.612 0.199 0.828 1.000 0.700 CB 0.843 11 residues pruned to eliminate duplicates Z: 21 17.337 1.858 0.713 0.589 0.900 0.500 CB 1.243 21 residues pruned to eliminate duplicates Z: 16 15.434 1.644 0.449 0.909 1.000 0.933 CB 1.187 16 residues pruned to eliminate duplicates Z: 7 4.757 1.369 0.255 0.681 0.833 0.667 N 1.148 Z: 12 12.538 1.681 0.655 0.880 0.909 0.455 CA 1.083 12 residues pruned to eliminate duplicates Z: 12 8.814 1.701 0.238 0.793 0.909 0.636 CB 1.074 12 residues pruned to eliminate duplicates Z: 12 11.329 1.845 0.825 0.714 0.909 0.182 CB 0.920 12 residues pruned to eliminate duplicates Z: 30 29.415 1.856 1.108 0.917 0.897 0.517 CB 1.099 30 residues pruned to eliminate duplicates Z: 10 21.171 1.870 0.820 0.897 1.000 0.889 CB 1.484 10 residues pruned to eliminate duplicates Z: 12 10.994 1.653 0.338 0.877 1.000 0.909 CB 1.088 12 residues pruned to eliminate duplicates Z: 8 2.792 1.332 -0.034 0.464 0.857 0.571 CB 0.992 6 1.110 1.155 0.175 0.264 0.600 0.400 O 0.798 ? Z: 11 8.392 1.640 0.336 0.902 1.000 1.000 CB 0.864 11 residues pruned to eliminate duplicates Z: 11 15.967 1.930 0.646 0.777 0.900 0.700 CB 1.383 11 residues pruned to eliminate duplicates Z: 12 9.128 1.715 0.636 0.425 0.818 0.545 CB 1.297 12 residues pruned to eliminate duplicates Z: 10 4.503 1.630 0.217 0.464 0.889 0.444 CB 0.883 10 residues pruned to eliminate duplicates Z: 34 26.372 1.856 0.739 0.736 0.909 0.515 CB 1.266 34 residues pruned to eliminate duplicates Z: 7 4.383 1.616 0.369 0.493 1.000 0.833 CB 0.814 7 residues pruned to eliminate duplicates Z: 6 5.551 1.476 0.703 0.709 0.800 0.800 CA 1.021 Z: 7 8.664 1.751 0.642 0.621 0.833 0.833 O 1.316 7 residues pruned to eliminate duplicates Z: 16 15.912 1.741 0.534 0.919 0.933 0.867 CB 1.161 16 residues pruned to eliminate duplicates Z: 30 37.317 1.921 1.301 0.917 0.966 0.448 CB 1.146 30 residues pruned to eliminate duplicates Z: 8 3.240 1.427 0.403 0.466 0.714 0.286 C 0.887 Z: 17 15.142 1.643 0.383 0.916 1.000 0.938 CB 1.177 17 residues pruned to eliminate duplicates Z: 13 14.459 1.814 0.577 0.848 0.917 0.833 CA 1.181 13 residues pruned to eliminate duplicates Z: 21 16.999 1.955 0.717 0.572 0.950 0.650 CB 1.112 22 residues pruned to eliminate duplicates Z: 21 21.828 1.847 0.852 0.639 0.950 0.700 CB 1.318 21 residues pruned to eliminate duplicates Z: 15 17.661 1.825 0.502 0.848 1.000 0.714 CB 1.277 15 residues pruned to eliminate duplicates Z: 12 8.868 1.681 0.467 0.602 0.909 0.545 CB 1.083 12 residues pruned to eliminate duplicates Z: 13 24.473 1.983 0.916 0.901 1.000 0.500 CB 1.327 13 residues pruned to eliminate duplicates Z: 12 8.369 1.666 0.278 0.817 0.818 0.636 CB 1.099 12 residues pruned to eliminate duplicates Z: 6 4.225 1.416 0.193 0.640 0.800 0.600 CB 1.226 Z: 8 10.941 1.898 0.378 0.826 1.000 1.000 CA 1.192 8 residues pruned to eliminate duplicates Z: 6 2.901 1.344 0.157 0.515 0.800 0.600 CB 1.027 Z: 10 3.314 1.422 0.713 0.232 0.667 0.222 N 0.929 Z: 21 12.775 1.520 0.377 0.885 1.000 0.850 CB 0.985 21 residues pruned to eliminate duplicates Z: 27 32.282 1.925 0.993 0.683 1.000 0.615 CB 1.395 27 residues pruned to eliminate duplicates Z: 31 47.620 2.092 1.235 0.908 0.967 0.500 CB 1.366 31 residues pruned to eliminate duplicates 6 1.458 1.265 0.549 0.308 0.600 0.400 CB 0.686 ? Z: 13 17.345 1.762 0.567 0.881 0.917 0.917 CB 1.433 13 residues pruned to eliminate duplicates Z: 6 3.751 1.451 0.334 0.643 1.000 0.800 CB 0.758 Z: 24 22.860 1.798 0.479 0.921 1.000 0.826 CB 1.262 24 residues pruned to eliminate duplicates Z: 49 26.246 1.839 0.725 0.620 0.854 0.417 CB 1.248 49 residues pruned to eliminate duplicates Z: 11 27.426 1.945 1.425 0.772 1.000 0.400 CA 1.445 11 residues pruned to eliminate duplicates Z: 14 8.500 1.844 0.559 0.458 0.769 0.462 CB 1.113 Z: 11 8.113 1.885 0.897 0.241 0.800 0.300 CA 1.209 11 residues pruned to eliminate duplicates Z: 27 21.582 1.990 0.784 0.494 0.885 0.615 CB 1.356 27 residues pruned to eliminate duplicates Z: 23 23.461 1.970 0.576 0.662 0.909 0.545 CB 1.526 23 residues pruned to eliminate duplicates Z: 10 17.299 1.705 0.962 0.892 1.000 0.889 CB 1.238 10 residues pruned to eliminate duplicates Z: 37 26.995 2.007 0.949 0.376 0.861 0.417 CB 1.524 37 residues pruned to eliminate duplicates Z: 6 10.210 1.835 0.276 0.763 1.000 0.600 CB 1.544 6 residues pruned to eliminate duplicates Z: 8 3.321 1.344 1.066 0.212 0.571 0.429 CB 1.111 Z: 24 12.492 1.987 0.774 0.340 0.826 0.478 CB 1.065 24 residues pruned to eliminate duplicates Z: 16 16.266 1.755 0.443 0.843 0.933 0.800 CB 1.323 16 residues pruned to eliminate duplicates Z: 10 20.381 1.916 0.634 0.859 1.000 0.444 CA 1.597 10 residues pruned to eliminate duplicates Z: 10 20.682 1.695 1.163 0.865 1.000 0.556 CB 1.377 10 residues pruned to eliminate duplicates Z: 21 13.441 1.754 0.730 0.430 0.900 0.400 CB 1.184 21 residues pruned to eliminate duplicates Z: 6 3.580 1.489 0.869 0.592 0.800 0.600 CB 0.658 Z: 7 6.889 1.692 0.643 0.535 0.833 0.667 CB 1.173 6 residues pruned to eliminate duplicates Z: 31 51.577 2.073 1.149 0.936 1.000 0.933 CA 1.471 31 residues pruned to eliminate duplicates Z: 28 20.024 1.996 0.785 0.547 0.889 0.444 CB 1.162 28 residues pruned to eliminate duplicates Z: 9 4.333 1.597 0.366 0.462 0.875 0.375 CB 0.835 5 residues pruned to eliminate duplicates Z: 9 5.332 1.725 0.493 0.314 0.750 0.375 N 1.199 Z: 16 6.865 1.578 0.679 0.367 0.733 0.400 CB 1.053 16 residues pruned to eliminate duplicates Z: 25 19.410 1.745 0.334 0.859 0.917 0.875 CA 1.366 25 residues pruned to eliminate duplicates Z: 16 15.219 1.801 0.394 0.862 1.000 0.800 CB 1.149 16 residues pruned to eliminate duplicates Z: 15 19.846 1.837 1.047 0.661 0.929 0.500 CA 1.308 15 residues pruned to eliminate duplicates Z: 8 4.628 1.602 0.577 0.405 0.857 0.429 CB 0.893 8 residues pruned to eliminate duplicates Z: 27 26.197 1.857 0.730 0.691 0.923 0.577 CB 1.455 27 residues pruned to eliminate duplicates Z: 9 10.307 1.866 1.014 0.694 0.750 0.375 CB 1.083 9 residues pruned to eliminate duplicates Z: 11 13.195 1.599 0.668 0.853 1.000 0.500 CB 1.156 11 residues pruned to eliminate duplicates Z: 25 31.643 1.791 0.885 0.888 0.958 0.833 CB 1.438 25 residues pruned to eliminate duplicates 6 1.709 1.284 0.069 0.344 0.800 0.800 CB 0.824 ? Z: 6 2.732 1.304 0.420 0.558 0.800 0.400 CB 0.780 Z: 31 38.300 2.149 1.041 0.688 0.933 0.667 CB 1.437 31 residues pruned to eliminate duplicates Z: 14 11.804 1.779 0.696 0.532 0.923 0.538 CB 1.139 14 residues pruned to eliminate duplicates Z: 9 10.332 1.933 1.135 0.458 0.875 0.750 CB 1.056 9 residues pruned to eliminate duplicates Z: 17 11.264 1.837 0.869 0.318 0.812 0.562 CB 1.234 17 residues pruned to eliminate duplicates Z: 19 31.011 2.050 1.166 0.915 0.944 0.778 CB 1.232 19 residues pruned to eliminate duplicates Z: 22 26.694 1.875 0.726 0.896 0.952 0.476 CB 1.354 22 residues pruned to eliminate duplicates Z: 34 29.144 1.996 0.840 0.634 0.939 0.455 CB 1.297 34 residues pruned to eliminate duplicates Z: 15 16.977 1.921 0.765 0.612 1.000 0.643 CB 1.204 15 residues pruned to eliminate duplicates Z: 17 12.852 1.541 0.623 0.888 0.875 0.562 CB 1.058 17 residues pruned to eliminate duplicates Z: 12 11.688 1.486 0.604 0.863 1.000 0.818 CA 1.084 8 residues pruned to eliminate duplicates Z: 21 20.852 2.079 1.113 0.302 0.900 0.550 CA 1.470 21 residues pruned to eliminate duplicates Z: 8 11.220 1.933 0.068 0.839 1.000 0.571 CB 1.533 8 residues pruned to eliminate duplicates Z: 20 10.344 1.514 0.535 0.486 0.895 0.684 CB 1.157 18 residues pruned to eliminate duplicates Z: 9 16.028 1.752 0.896 0.890 0.875 0.625 CA 1.403 9 residues pruned to eliminate duplicates Z: 17 11.090 1.510 0.478 0.837 0.938 0.625 CB 0.991 17 residues pruned to eliminate duplicates Z: 12 6.857 1.592 0.413 0.730 0.818 0.364 CB 0.914 12 residues pruned to eliminate duplicates 8 1.776 1.482 0.207 0.218 0.714 0.429 CB 0.732 ? Z: 14 11.474 1.818 0.487 0.536 0.923 0.692 CA 1.231 14 residues pruned to eliminate duplicates Z: 20 23.657 2.001 1.038 0.503 0.842 0.474 CB 1.575 20 residues pruned to eliminate duplicates Z: 17 22.708 1.686 0.668 0.904 1.000 0.938 CA 1.437 17 residues pruned to eliminate duplicates Z: 30 14.073 1.611 0.459 0.475 0.828 0.552 CB 1.378 29 residues pruned to eliminate duplicates Z: 25 34.985 2.196 1.195 0.656 0.958 0.708 CB 1.338 25 residues pruned to eliminate duplicates Z: 16 9.273 1.750 0.439 0.492 0.800 0.533 CB 1.198 16 residues pruned to eliminate duplicates Z: 15 18.852 1.772 0.829 0.903 0.857 0.500 CB 1.293 15 residues pruned to eliminate duplicates Z: 19 17.825 1.859 0.942 0.577 0.889 0.500 CB 1.216 10 residues pruned to eliminate duplicates Z: 44 29.097 1.985 0.877 0.445 0.884 0.349 CB 1.425 44 residues pruned to eliminate duplicates Z: 13 12.202 1.593 0.321 0.872 1.000 0.750 CB 1.221 13 residues pruned to eliminate duplicates Z: 12 11.501 1.556 0.439 0.797 1.000 0.818 CB 1.194 12 residues pruned to eliminate duplicates Z: 28 24.456 1.840 0.650 0.702 0.963 0.667 CB 1.340 28 residues pruned to eliminate duplicates Z: 15 13.338 1.758 0.692 0.852 0.857 0.571 CB 1.034 15 residues pruned to eliminate duplicates Z: 49 34.641 1.888 0.759 0.651 0.958 0.688 CB 1.365 49 residues pruned to eliminate duplicates Z: 9 10.726 1.662 0.784 0.887 1.000 0.500 CB 0.922 9 residues pruned to eliminate duplicates Z: 15 24.418 1.871 0.879 0.920 0.929 0.786 CB 1.408 15 residues pruned to eliminate duplicates Z: 19 21.931 1.803 0.765 0.602 0.944 0.611 CB 1.560 17 residues pruned to eliminate duplicates Z: 16 14.227 1.629 0.808 0.870 0.800 0.600 CB 1.138 16 residues pruned to eliminate duplicates Z: 18 22.749 1.883 0.568 0.891 1.000 0.588 CB 1.344 18 residues pruned to eliminate duplicates Z: 7 5.775 1.747 0.035 0.631 1.000 0.667 CB 1.154 Z: 12 15.560 1.869 0.403 0.908 1.000 0.455 CB 1.270 12 residues pruned to eliminate duplicates Z: 10 10.266 1.784 0.139 0.871 1.000 1.000 CB 1.228 10 residues pruned to eliminate duplicates Z: 16 18.778 1.804 0.757 0.830 0.867 0.467 CB 1.327 16 residues pruned to eliminate duplicates Z: 11 10.010 1.762 0.508 0.639 0.800 0.800 CB 1.307 11 residues pruned to eliminate duplicates Z: 22 22.638 1.849 0.894 0.682 0.857 0.714 CA 1.393 22 residues pruned to eliminate duplicates Z: 7 2.669 1.478 0.398 0.551 0.667 0.500 CB 0.753 Z: 31 22.133 1.841 0.819 0.622 0.900 0.533 CB 1.194 31 residues pruned to eliminate duplicates Z: 27 19.148 1.786 0.481 0.644 0.962 0.692 CB 1.291 27 residues pruned to eliminate duplicates Z: 6 4.392 1.769 0.158 0.472 0.800 0.600 CA 1.233 Z: 13 6.748 1.800 0.386 0.585 0.667 0.417 CB 1.079 13 residues pruned to eliminate duplicates Z: 18 20.540 1.759 0.590 0.878 0.941 0.765 CA 1.374 18 residues pruned to eliminate duplicates Z: 7 6.108 1.476 0.712 0.573 0.833 0.500 CA 1.104 7 residues pruned to eliminate duplicates Z: 17 5.663 1.491 0.551 0.381 0.688 0.500 CB 1.011 17 residues pruned to eliminate duplicates Z: 31 50.516 2.076 1.191 0.929 1.000 0.833 CA 1.419 31 residues pruned to eliminate duplicates Z: 13 7.164 1.532 0.292 0.447 0.833 0.500 CB 1.325 12 residues pruned to eliminate duplicates Z: 10 7.434 1.499 0.383 0.853 0.889 0.889 CB 0.993 10 residues pruned to eliminate duplicates Z: 12 5.958 1.679 0.350 0.350 0.818 0.636 CB 1.140 16 residues pruned to eliminate duplicates Z: 7 4.328 1.563 0.508 0.487 0.833 0.500 CB 0.912 Z: 6 5.294 1.414 0.307 0.617 1.000 0.800 CA 1.147 Z: 7 4.737 1.908 0.345 0.406 0.833 0.667 CB 0.997 7 residues pruned to eliminate duplicates Z: 6 2.806 1.292 0.177 0.536 0.800 0.800 N 0.996 6 residues pruned to eliminate duplicates Z: 12 10.641 1.788 0.772 0.542 0.818 0.545 CB 1.188 12 residues pruned to eliminate duplicates Z: 26 23.286 1.894 0.732 0.665 0.920 0.280 CB 1.325 26 residues pruned to eliminate duplicates Z: 6 3.592 1.383 0.035 0.725 0.800 0.400 O 1.145 5 residues pruned to eliminate duplicates Z: 20 15.419 1.941 0.819 0.564 0.737 0.474 CB 1.278 31 residues pruned to eliminate duplicates 6 1.923 1.331 0.159 0.447 0.800 0.600 CB 0.736 ? Z: 18 20.948 1.781 0.722 0.845 0.941 0.706 CB 1.309 18 residues pruned to eliminate duplicates Z: 23 7.866 1.800 0.432 0.275 0.773 0.318 CB 1.087 28 residues pruned to eliminate duplicates Z: 35 26.870 1.927 0.679 0.784 0.824 0.559 CB 1.347 35 residues pruned to eliminate duplicates Z: 6 4.545 1.456 0.183 0.549 1.000 0.800 N 1.125 Z: 37 15.101 1.672 0.384 0.692 0.917 0.500 CB 0.995 37 residues pruned to eliminate duplicates Z: 24 19.678 1.767 0.630 0.662 0.870 0.609 CB 1.410 24 residues pruned to eliminate duplicates Z: 14 16.344 1.736 0.469 0.881 0.923 0.615 CB 1.394 14 residues pruned to eliminate duplicates Z: 21 31.273 1.965 0.934 0.944 1.000 0.900 CB 1.274 21 residues pruned to eliminate duplicates Z: 17 15.979 1.667 0.534 0.900 0.938 0.875 CA 1.191 17 residues pruned to eliminate duplicates Z: 9 2.441 1.643 0.428 0.302 0.500 0.375 CB 0.918 Z: 11 17.566 1.741 0.842 0.913 1.000 0.900 CB 1.225 11 residues pruned to eliminate duplicates Z: 17 16.922 1.745 0.425 0.896 1.000 0.938 CA 1.219 17 residues pruned to eliminate duplicates Z: 28 29.052 1.870 0.843 0.731 0.889 0.667 CB 1.483 28 residues pruned to eliminate duplicates Z: 7 5.061 1.470 0.190 0.798 1.000 0.500 CB 0.910 Z: 9 4.866 1.459 0.371 0.384 0.875 0.500 O 1.112 Z: 11 3.604 1.452 0.068 0.413 0.900 0.800 N 0.894 11 residues pruned to eliminate duplicates Z: 13 17.055 1.812 0.825 0.878 1.000 0.583 CB 1.081 13 residues pruned to eliminate duplicates Z: 6 2.159 1.364 0.498 0.612 0.800 0.600 CB 0.531 Z: 11 9.383 1.867 0.285 0.404 0.900 0.600 CB 1.521 11 residues pruned to eliminate duplicates Z: 28 47.433 1.992 1.173 0.929 1.000 0.667 CB 1.476 28 residues pruned to eliminate duplicates Z: 12 7.943 1.413 0.723 0.719 0.818 0.636 CA 0.987 12 residues pruned to eliminate duplicates Z: 10 4.531 1.446 0.504 0.388 1.000 0.667 CB 0.781 13 residues pruned to eliminate duplicates Z: 28 22.017 1.794 0.684 0.637 0.852 0.593 CB 1.448 28 residues pruned to eliminate duplicates Z: 8 5.978 1.660 0.348 0.590 0.714 0.571 CA 1.297 Z: 23 23.127 2.092 0.928 0.557 0.955 0.545 CB 1.211 23 residues pruned to eliminate duplicates Z: 9 6.488 1.630 0.009 0.549 1.000 1.000 CB 1.329 9 residues pruned to eliminate duplicates Z: 18 28.176 1.983 0.764 0.816 1.000 0.706 CB 1.484 18 residues pruned to eliminate duplicates Z: 13 13.601 1.601 0.428 0.900 1.000 1.000 CB 1.227 13 residues pruned to eliminate duplicates Z: 14 12.345 1.599 0.452 0.892 0.923 0.692 CB 1.148 14 residues pruned to eliminate duplicates Z: 24 23.164 2.012 0.964 0.489 0.783 0.435 CB 1.579 24 residues pruned to eliminate duplicates Z: 8 11.116 1.991 -0.097 0.900 1.000 1.000 CA 1.669 8 residues pruned to eliminate duplicates Z: 22 18.695 1.985 0.845 0.322 0.905 0.476 CB 1.499 22 residues pruned to eliminate duplicates 8 1.602 1.539 0.133 0.318 0.571 0.286 CB 0.743 ? Z: 12 6.776 1.683 0.667 0.293 0.818 0.273 CB 1.121 12 residues pruned to eliminate duplicates Z: 11 4.793 1.543 0.237 0.482 0.800 0.700 CB 1.010 Z: 7 5.476 1.891 1.013 0.196 0.833 0.333 CB 1.012 7 residues pruned to eliminate duplicates Z: 7 5.707 1.687 0.902 0.333 0.833 0.500 N 1.047 10 residues pruned to eliminate duplicates Z: 6 2.457 1.498 -0.124 0.348 1.000 0.400 CB 0.987 Z: 16 26.002 1.875 0.746 0.864 1.000 0.600 CA 1.503 16 residues pruned to eliminate duplicates Z: 6 2.315 1.277 0.568 0.438 0.800 0.400 O 0.690 Z: 20 5.704 1.589 0.359 0.201 0.737 0.263 CA 1.172 8 residues pruned to eliminate duplicates Z: 11 22.561 2.165 0.629 0.869 1.000 0.700 CA 1.478 11 residues pruned to eliminate duplicates Z: 6 2.918 1.407 0.552 0.379 0.600 0.600 CA 1.133 Z: 6 2.820 1.292 0.658 0.322 0.800 0.400 C 0.895 Z: 8 5.397 1.335 0.208 0.794 0.857 0.714 CA 1.140 Z: 20 12.220 1.514 0.727 0.877 0.895 0.474 CB 0.870 20 residues pruned to eliminate duplicates Z: 35 26.243 1.938 0.698 0.522 0.941 0.559 CB 1.421 35 residues pruned to eliminate duplicates Z: 20 11.200 1.785 0.983 0.404 0.737 0.263 CB 1.090 20 residues pruned to eliminate duplicates Z: 30 19.601 1.749 0.513 0.557 0.897 0.483 CB 1.452 30 residues pruned to eliminate duplicates Z: 18 8.699 1.727 0.888 0.288 0.765 0.471 CB 1.074 18 residues pruned to eliminate duplicates Z: 16 17.368 1.793 0.738 0.842 0.933 0.467 CB 1.149 16 residues pruned to eliminate duplicates Z: 6 2.028 1.339 -0.104 0.325 1.000 1.000 CB 0.916 Z: 11 12.693 1.581 0.552 0.877 1.000 0.600 CB 1.188 11 residues pruned to eliminate duplicates Z: 21 23.398 2.037 1.087 0.575 0.900 0.400 CB 1.271 21 residues pruned to eliminate duplicates Z: 7 4.797 1.699 0.464 0.394 0.833 0.333 CB 1.057 Z: 18 13.856 1.544 0.453 0.913 1.000 0.765 CB 1.060 18 residues pruned to eliminate duplicates Z: 27 35.903 1.814 1.094 0.919 0.962 0.538 CB 1.358 27 residues pruned to eliminate duplicates Z: 13 22.784 1.802 1.117 0.853 1.000 0.667 CB 1.274 13 residues pruned to eliminate duplicates Z: 21 37.687 2.223 1.223 0.702 0.950 0.700 CB 1.494 21 residues pruned to eliminate duplicates Z: 8 3.969 1.703 0.180 0.293 0.714 0.286 CB 1.318 Z: 23 26.862 1.865 0.587 0.908 1.000 0.864 CA 1.374 23 residues pruned to eliminate duplicates Z: 13 5.315 1.504 0.345 0.444 0.833 0.250 CB 0.965 7 residues pruned to eliminate duplicates Z: 35 32.060 2.037 1.179 0.674 0.853 0.471 CB 1.236 35 residues pruned to eliminate duplicates Z: 7 2.675 1.474 0.095 0.246 0.833 0.333 CB 1.089 Z: 8 3.934 1.601 0.197 0.323 0.857 0.429 CA 1.100 8 residues pruned to eliminate duplicates Z: 12 14.835 1.797 0.734 0.861 0.818 0.727 CB 1.290 12 residues pruned to eliminate duplicates Z: 11 3.403 1.688 0.334 0.401 0.800 0.500 CB 0.663 11 residues pruned to eliminate duplicates Z: 18 8.991 1.627 0.545 0.488 0.824 0.412 CB 1.066 18 residues pruned to eliminate duplicates Z: 12 12.785 1.652 0.547 0.838 1.000 0.545 CB 1.127 12 residues pruned to eliminate duplicates Z: 14 14.376 1.685 0.686 0.861 1.000 0.615 CB 1.032 14 residues pruned to eliminate duplicates Z: 15 15.363 1.714 0.567 0.832 0.857 0.643 CA 1.339 15 residues pruned to eliminate duplicates Z: 27 33.196 2.099 0.982 0.785 0.885 0.846 CB 1.376 27 residues pruned to eliminate duplicates Z: 7 4.300 1.572 0.321 0.474 1.000 0.500 CA 0.868 Z: 16 7.026 1.548 0.463 0.432 0.867 0.400 CB 0.991 Z: 35 37.117 1.886 0.984 0.869 0.941 0.471 CB 1.321 35 residues pruned to eliminate duplicates Z: 11 12.044 1.649 0.380 0.855 1.000 0.800 CB 1.235 11 residues pruned to eliminate duplicates Z: 18 6.857 1.634 0.848 0.430 0.706 0.471 CB 0.839 18 residues pruned to eliminate duplicates Z: 11 22.743 2.172 0.612 0.864 1.000 0.800 CB 1.506 11 residues pruned to eliminate duplicates Z: 7 5.033 1.623 0.180 0.560 0.833 0.833 CB 1.215 7 residues pruned to eliminate duplicates Z: 8 3.082 1.505 0.113 0.406 0.714 0.571 CB 1.074 Z: 10 4.350 1.526 0.364 0.470 0.778 0.556 CB 0.924 Z: 7 2.107 1.425 0.708 0.530 0.500 0.500 N 0.686 Z: 10 6.258 1.637 0.462 0.374 0.778 0.556 CA 1.282 10 residues pruned to eliminate duplicates Z: 8 7.201 1.630 0.578 0.685 1.000 0.286 CB 0.893 Z: 7 6.591 1.690 0.209 0.632 1.000 0.833 CB 1.164 7 residues pruned to eliminate duplicates Z: 16 15.335 1.954 0.996 0.527 0.800 0.533 CB 1.236 16 residues pruned to eliminate duplicates Z: 31 58.261 2.108 1.405 0.919 0.967 0.600 CB 1.530 31 residues pruned to eliminate duplicates Z: 12 15.372 1.798 0.750 0.904 1.000 1.000 CB 1.050 12 residues pruned to eliminate duplicates Z: 10 6.991 1.772 0.313 0.502 0.778 0.444 CA 1.285 10 residues pruned to eliminate duplicates Z: 7 2.619 1.482 0.401 0.246 0.667 0.333 CA 1.035 4 residues pruned to eliminate duplicates Z: 6 2.908 1.471 0.250 0.269 0.800 0.200 O 1.149 Z: 8 4.603 1.844 0.301 0.650 1.000 0.714 CB 0.631 8 residues pruned to eliminate duplicates Z: 12 4.115 1.566 0.301 0.242 0.727 0.364 N 1.129 12 residues pruned to eliminate duplicates Z: 16 14.336 1.738 0.598 0.889 0.933 0.667 CB 1.028 16 residues pruned to eliminate duplicates Z: 7 7.298 1.631 0.290 0.709 1.000 0.833 CB 1.172 Z: 7 10.598 1.622 0.625 0.878 1.000 0.667 CB 1.191 7 residues pruned to eliminate duplicates Z: 9 2.722 1.558 0.326 0.396 0.625 0.625 CB 0.832 7 residues pruned to eliminate duplicates Z: 17 12.257 1.894 0.604 0.472 0.875 0.750 CB 1.187 17 residues pruned to eliminate duplicates Z: 11 6.660 1.441 0.172 0.829 1.000 0.700 CB 0.938 11 residues pruned to eliminate duplicates Z: 13 11.039 1.734 0.315 0.646 0.917 0.583 CB 1.330 13 residues pruned to eliminate duplicates Z: 26 22.737 1.748 0.848 0.883 0.840 0.560 CB 1.212 26 residues pruned to eliminate duplicates Z: 10 7.077 1.544 0.384 0.868 0.889 0.667 CB 0.907 10 residues pruned to eliminate duplicates Z: 13 11.360 1.616 0.771 0.881 1.000 0.750 CB 0.830 13 residues pruned to eliminate duplicates 6 1.447 1.046 0.473 0.546 0.800 0.800 CB 0.502 ? Z: 29 13.932 1.665 0.616 0.532 0.786 0.393 CB 1.207 35 residues pruned to eliminate duplicates Z: 9 3.554 1.564 0.462 0.330 0.625 0.500 N 1.059 9 residues pruned to eliminate duplicates Z: 31 24.816 1.899 0.656 0.585 0.900 0.533 CA 1.475 31 residues pruned to eliminate duplicates Z: 10 16.050 1.892 0.929 0.497 1.000 0.556 CA 1.471 10 residues pruned to eliminate duplicates Z: 7 10.437 1.747 0.731 0.720 0.833 0.667 O 1.386 Z: 8 4.273 1.425 0.369 0.442 1.000 0.429 CB 0.879 Z: 14 8.975 1.858 0.484 0.630 0.846 0.154 CB 0.944 14 residues pruned to eliminate duplicates Z: 12 17.538 1.889 0.646 0.880 0.909 0.636 CB 1.356 12 residues pruned to eliminate duplicates Z: 23 19.173 1.803 0.287 0.912 0.955 0.818 CB 1.307 23 residues pruned to eliminate duplicates Z: 7 4.919 1.467 0.453 0.820 0.833 0.667 CB 0.857 Z: 16 12.493 1.622 0.461 0.907 1.000 0.733 CB 0.968 16 residues pruned to eliminate duplicates Z: 8 14.084 1.770 0.787 0.765 1.000 0.714 CB 1.330 8 residues pruned to eliminate duplicates Z: 14 17.906 1.642 0.732 0.916 0.923 0.462 CB 1.336 13 residues pruned to eliminate duplicates 6 1.814 1.224 0.182 0.278 0.800 0.400 O 0.901 ? Z: 23 38.245 1.889 1.371 0.865 0.955 0.545 CB 1.398 23 residues pruned to eliminate duplicates Z: 18 16.501 1.496 0.822 0.917 0.941 0.588 CB 1.101 17 residues pruned to eliminate duplicates Z: 24 23.002 1.754 0.572 0.900 0.957 0.870 CA 1.300 24 residues pruned to eliminate duplicates Z: 12 13.521 1.622 0.532 0.868 0.909 0.727 CB 1.319 11 residues pruned to eliminate duplicates Z: 9 14.056 1.846 0.802 0.871 0.875 0.500 CB 1.245 Z: 14 4.079 1.542 0.378 0.358 0.846 0.692 CB 0.734 6 residues pruned to eliminate duplicates Z: 20 11.641 1.747 0.578 0.403 0.895 0.684 CB 1.200 20 residues pruned to eliminate duplicates Z: 13 14.526 1.821 0.683 0.792 0.917 0.417 CA 1.155 13 residues pruned to eliminate duplicates Z: 9 5.268 1.505 0.248 0.494 0.875 0.625 CB 1.139 6 residues pruned to eliminate duplicates Z: 6 3.969 1.821 0.194 0.268 0.800 0.200 CB 1.328 Z: 17 12.936 1.740 0.978 0.473 0.750 0.562 CB 1.288 17 residues pruned to eliminate duplicates Z: 7 4.778 1.534 0.090 0.786 1.000 0.667 CB 0.908 7 residues pruned to eliminate duplicates Z: 12 15.143 1.897 0.540 0.664 1.000 0.818 CB 1.343 12 residues pruned to eliminate duplicates Z: 14 9.735 1.612 0.401 0.776 1.000 0.692 CB 0.937 14 residues pruned to eliminate duplicates Z: 14 14.201 1.749 0.456 0.879 0.923 0.692 CB 1.215 14 residues pruned to eliminate duplicates Z: 6 4.551 1.370 0.064 0.845 1.000 0.800 CA 1.039 6 residues pruned to eliminate duplicates Z: 9 3.830 1.482 0.295 0.374 0.875 0.625 CA 0.924 Z: 33 26.089 1.860 0.750 0.640 0.938 0.562 CB 1.326 31 residues pruned to eliminate duplicates Z: 39 40.595 2.016 0.862 0.813 0.921 0.842 CA 1.451 39 residues pruned to eliminate duplicates Z: 15 9.082 1.768 0.663 0.459 0.929 0.714 CB 0.927 15 residues pruned to eliminate duplicates Z: 28 33.916 1.916 1.008 0.908 0.963 0.519 CB 1.252 28 residues pruned to eliminate duplicates Z: 20 18.522 1.733 0.545 0.765 0.947 0.684 CB 1.324 20 residues pruned to eliminate duplicates Z: 9 6.895 1.754 0.636 0.423 0.875 0.500 CB 1.052 8 residues pruned to eliminate duplicates Z: 6 2.208 1.453 0.176 0.333 0.600 0.400 CB 1.156 Z: 8 16.164 1.965 0.594 0.876 1.000 0.857 CB 1.417 8 residues pruned to eliminate duplicates Z: 15 12.393 1.747 0.807 0.394 0.929 0.571 CB 1.264 15 residues pruned to eliminate duplicates Z: 18 29.285 1.887 0.802 0.865 1.000 0.765 CA 1.530 18 residues pruned to eliminate duplicates Z: 21 19.323 1.704 0.661 0.902 0.950 0.350 CB 1.146 21 residues pruned to eliminate duplicates Z: 23 22.938 1.808 0.534 0.888 0.955 0.955 CA 1.331 23 residues pruned to eliminate duplicates Z: 23 25.863 1.886 0.733 0.906 0.909 0.636 CB 1.320 23 residues pruned to eliminate duplicates Z: 9 13.471 1.777 0.947 0.651 0.875 0.750 CB 1.367 9 residues pruned to eliminate duplicates Z: 51 32.606 2.036 0.877 0.485 0.900 0.580 CB 1.362 48 residues pruned to eliminate duplicates Z: 36 31.537 1.909 0.698 0.776 0.914 0.600 CB 1.410 36 residues pruned to eliminate duplicates Z: 8 6.911 1.655 0.568 0.440 1.000 1.000 CA 1.071 Z: 9 5.440 1.372 0.384 0.633 0.875 0.625 CA 1.022 Z: 9 5.859 1.562 0.270 0.511 0.875 0.500 CB 1.180 9 residues pruned to eliminate duplicates Z: 15 11.995 1.645 0.551 0.851 1.000 0.857 CB 0.930 15 residues pruned to eliminate duplicates Z: 7 7.395 1.673 0.537 0.660 0.833 0.667 CB 1.215 7 residues pruned to eliminate duplicates Z: 11 4.444 1.441 0.663 0.290 0.800 0.500 N 0.928 10 residues pruned to eliminate duplicates Z: 21 10.601 1.632 0.499 0.698 0.900 0.800 CA 0.898 21 residues pruned to eliminate duplicates 7 1.867 1.846 0.387 0.362 0.667 0.500 CB 0.518 ? Z: 7 17.502 2.003 0.755 0.885 1.000 1.000 CA 1.468 7 residues pruned to eliminate duplicates Z: 15 17.999 1.806 0.910 0.894 0.714 0.500 CB 1.401 15 residues pruned to eliminate duplicates Z: 6 3.404 1.695 0.556 0.541 0.600 0.400 CB 0.924 6 residues pruned to eliminate duplicates Z: 7 12.446 1.755 0.703 0.884 1.000 1.000 CB 1.228 Z: 8 16.617 2.122 0.898 0.902 1.000 0.429 CB 1.112 8 residues pruned to eliminate duplicates 6 0.681 1.614 0.279 0.281 0.800 0.400 CB 0.236 ? Z: 6 2.118 1.171 0.621 0.558 0.600 0.400 N 0.786 6 residues pruned to eliminate duplicates Z: 25 14.537 1.887 0.831 0.436 0.833 0.333 CB 1.101 25 residues pruned to eliminate duplicates Z: 13 16.526 1.779 0.482 0.922 1.000 0.833 CB 1.272 22 residues pruned to eliminate duplicates Z: 6 4.186 1.538 0.104 0.622 1.000 0.800 C 0.983 Z: 19 20.329 1.788 0.831 0.879 0.944 0.722 CB 1.123 19 residues pruned to eliminate duplicates 1198 residues left after pruning, divided into chains as follows: A: 13 B: 14 C: 36 D: 6 E: 94 F: 14 G: 10 H: 6 I: 33 J: 38 K: 41 L: 13 M: 16 N: 19 O: 12 P: 24 Q: 114 R: 27 S: 15 T: 38 U: 54 V: 6 W: 9 X: 8 Y: 7 Z: 15 Z: 24 Z: 21 Z: 32 Z: 9 Z: 26 Z: 33 Z: 8 Z: 111 Z: 9 Z: 73 Z: 114 Z: 38 Z: 18 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 33.65 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.477, Connect. = 0.734 for dens.mod. cycle 1 = 0.300, Contrast = 0.549, Connect. = 0.753 for dens.mod. cycle 2 = 0.300, Contrast = 0.654, Connect. = 0.781 for dens.mod. cycle 3 = 0.300, Contrast = 0.661, Connect. = 0.782 for dens.mod. cycle 4 = 0.300, Contrast = 0.669, Connect. = 0.783 for dens.mod. cycle 5 = 0.300, Contrast = 0.672, Connect. = 0.784 for dens.mod. cycle 6 = 0.300, Contrast = 0.676, Connect. = 0.785 for dens.mod. cycle 7 = 0.300, Contrast = 0.678, Connect. = 0.786 for dens.mod. cycle 8 = 0.300, Contrast = 0.680, Connect. = 0.787 for dens.mod. cycle 9 = 0.300, Contrast = 0.681, Connect. = 0.788 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 7140 peaks > 0.5 sigma used to seed fragment search Space for about 1933 unique residues taking solvent into account 1710 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 26.982 2.207 0.642 0.881 1.000 0.769 CA 1.495 B: 19 36.803 2.269 0.657 0.905 1.000 0.889 CB 1.643 C: 13 40.946 2.320 1.112 0.916 1.000 0.917 CA 1.704 14 residues pruned to eliminate duplicates D: 31 50.024 2.212 0.858 0.926 0.967 0.900 CB 1.612 19 residues pruned to eliminate duplicates E: 12 24.485 2.129 0.659 0.785 1.000 0.545 CA 1.626 F: 11 28.905 2.462 0.632 0.917 1.000 0.900 CA 1.606 G: 28 44.317 2.068 0.932 0.943 0.963 0.852 CB 1.536 H: 8 21.707 2.324 0.763 0.834 1.000 0.857 CA 1.501 8 residues pruned to eliminate duplicates I: 12 18.164 2.129 0.361 0.778 0.909 0.636 CA 1.626 12 residues pruned to eliminate duplicates J: 13 28.759 2.220 0.916 0.881 0.917 0.917 CA 1.542 11 residues pruned to eliminate duplicates K: 14 34.002 2.242 1.005 0.868 0.923 0.769 CA 1.662 14 residues pruned to eliminate duplicates L: 12 29.676 2.388 0.669 0.899 1.000 0.909 CA 1.604 12 residues pruned to eliminate duplicates M: 8 19.189 2.001 0.499 0.886 1.000 1.000 C 1.745 N: 12 20.024 2.110 0.452 0.855 1.000 0.909 CB 1.454 O: 13 35.614 2.340 1.070 0.877 0.917 0.833 CA 1.682 13 residues pruned to eliminate duplicates P: 86 53.131 2.197 0.767 0.548 0.906 0.600 CB 1.565 37 residues pruned to eliminate duplicates Q: 22 52.007 2.231 1.168 0.913 1.000 0.714 CB 1.662 R: 10 12.559 1.832 0.714 0.579 0.778 0.556 N 1.589 10 residues pruned to eliminate duplicates S: 12 20.015 2.204 0.607 0.805 0.909 0.636 CA 1.436 11 residues pruned to eliminate duplicates T: 27 40.382 2.132 0.799 0.931 1.000 0.923 CA 1.443 27 residues pruned to eliminate duplicates U: 29 47.838 2.134 0.930 0.936 1.000 0.964 CA 1.530 22 residues pruned to eliminate duplicates V: 6 14.940 2.312 0.736 0.799 1.000 0.600 CB 1.282 W: 7 9.848 1.945 0.646 0.479 1.000 1.000 CB 1.284 X: 13 23.917 2.048 0.722 0.931 1.000 0.833 CB 1.368 Y: 24 34.816 2.181 0.618 0.906 1.000 0.913 CA 1.464 24 residues pruned to eliminate duplicates Z: 30 55.027 2.245 0.918 0.935 0.966 0.862 CA 1.712 30 residues pruned to eliminate duplicates Z: 20 24.951 1.910 0.709 0.802 0.895 0.789 CA 1.505 6 residues pruned to eliminate duplicates Z: 15 23.269 2.150 0.304 0.898 0.929 0.857 CA 1.709 Z: 11 28.087 2.145 0.680 0.820 1.000 0.500 CB 1.869 11 residues pruned to eliminate duplicates Z: 21 32.968 2.044 0.706 0.861 0.950 0.700 CB 1.634 20 residues pruned to eliminate duplicates Z: 22 54.492 2.277 1.227 0.932 1.000 0.810 CA 1.637 22 residues pruned to eliminate duplicates Z: 11 18.583 2.103 0.341 0.831 1.000 0.600 CA 1.566 11 residues pruned to eliminate duplicates Z: 30 53.356 2.135 1.069 0.920 1.000 0.828 CA 1.580 30 residues pruned to eliminate duplicates Z: 30 46.578 2.094 0.922 0.918 1.000 0.931 CA 1.516 30 residues pruned to eliminate duplicates Z: 20 24.118 1.819 0.766 0.857 0.895 0.737 CA 1.418 Z: 14 36.231 2.238 0.933 0.865 1.000 0.538 CB 1.702 14 residues pruned to eliminate duplicates Z: 28 42.485 2.045 0.911 0.938 0.963 0.852 CB 1.510 28 residues pruned to eliminate duplicates Z: 9 10.382 1.694 0.589 0.757 1.000 0.750 CA 1.085 8 residues pruned to eliminate duplicates Z: 13 36.458 2.263 1.096 0.885 1.000 0.583 CA 1.602 13 residues pruned to eliminate duplicates Z: 11 18.286 2.168 0.776 0.789 0.800 0.700 CB 1.456 12 residues pruned to eliminate duplicates Z: 9 19.098 2.173 1.045 0.795 0.875 0.500 CB 1.341 Z: 13 31.744 2.077 0.899 0.930 1.000 0.833 CB 1.624 13 residues pruned to eliminate duplicates Z: 102 64.162 2.205 0.941 0.556 0.891 0.673 CB 1.585 60 residues pruned to eliminate duplicates Z: 13 25.368 2.121 0.582 0.804 1.000 0.833 CA 1.675 13 residues pruned to eliminate duplicates Z: 31 45.984 2.186 0.657 0.927 1.000 0.833 CA 1.625 31 residues pruned to eliminate duplicates Z: 12 32.142 2.191 0.654 0.921 1.000 0.818 CA 1.882 14 residues pruned to eliminate duplicates Z: 15 29.725 1.976 0.996 0.840 1.000 0.929 CB 1.503 Z: 11 11.640 1.778 0.839 0.745 0.900 0.500 CB 1.004 Z: 8 22.879 2.086 0.990 0.866 1.000 0.857 CB 1.525 8 residues pruned to eliminate duplicates Z: 11 44.130 2.449 1.324 0.932 1.000 0.900 CA 1.712 11 residues pruned to eliminate duplicates Z: 14 37.597 2.212 1.540 0.879 0.923 0.769 CB 1.458 14 residues pruned to eliminate duplicates Z: 9 15.707 2.001 0.649 0.788 0.875 0.500 CB 1.493 Z: 14 27.290 1.842 1.068 0.902 1.000 0.692 CA 1.416 Z: 29 55.845 2.158 1.140 0.919 1.000 0.714 CA 1.610 29 residues pruned to eliminate duplicates Z: 8 29.012 2.442 0.713 0.902 1.000 1.000 CB 1.870 9 residues pruned to eliminate duplicates Z: 14 11.047 1.803 0.451 0.532 0.769 0.692 CB 1.475 Z: 11 24.616 2.152 0.519 0.810 1.000 0.700 CB 1.818 11 residues pruned to eliminate duplicates Z: 21 30.647 2.014 0.712 0.852 0.950 0.700 CB 1.547 21 residues pruned to eliminate duplicates Z: 30 37.906 2.199 0.590 0.921 0.966 0.862 CA 1.468 31 residues pruned to eliminate duplicates Z: 9 18.643 1.932 0.611 0.887 1.000 1.000 N 1.527 11 residues pruned to eliminate duplicates Z: 53 35.849 2.152 0.892 0.490 0.904 0.558 CB 1.364 51 residues pruned to eliminate duplicates Z: 12 20.035 2.150 0.354 0.861 0.909 0.909 CA 1.678 12 residues pruned to eliminate duplicates Z: 30 50.202 2.203 0.785 0.935 1.000 0.931 CB 1.652 30 residues pruned to eliminate duplicates Z: 24 42.881 2.111 1.144 0.937 0.957 0.870 CB 1.437 24 residues pruned to eliminate duplicates Z: 16 23.528 1.985 0.806 0.801 0.933 0.800 CB 1.396 16 residues pruned to eliminate duplicates Z: 14 19.073 1.983 0.598 0.882 0.846 0.615 CA 1.428 Z: 15 33.906 2.213 1.045 0.860 0.929 0.571 CB 1.586 15 residues pruned to eliminate duplicates Z: 9 18.905 2.000 0.845 0.855 1.000 0.750 CB 1.337 Z: 12 27.457 2.186 0.884 0.887 1.000 0.909 CA 1.450 12 residues pruned to eliminate duplicates Z: 31 53.110 2.198 0.873 0.932 1.000 0.800 CB 1.644 31 residues pruned to eliminate duplicates Z: 16 25.008 2.084 0.615 0.865 0.933 0.933 CA 1.507 15 residues pruned to eliminate duplicates Z: 12 21.460 2.129 0.579 0.873 0.909 0.909 CA 1.542 12 residues pruned to eliminate duplicates Z: 11 26.474 2.178 0.584 0.868 1.000 0.800 CA 1.774 11 residues pruned to eliminate duplicates Z: 7 13.760 1.921 0.701 0.882 1.000 1.000 CA 1.245 7 residues pruned to eliminate duplicates Z: 11 14.835 1.869 0.393 0.709 1.000 0.800 CB 1.491 Z: 18 25.053 1.960 0.488 0.889 1.000 0.706 CA 1.499 17 residues pruned to eliminate duplicates Z: 11 44.722 2.463 1.350 0.920 1.000 0.700 CA 1.720 11 residues pruned to eliminate duplicates Z: 29 49.361 2.126 1.146 0.925 0.964 0.786 CA 1.488 29 residues pruned to eliminate duplicates Z: 32 48.949 2.177 0.791 0.949 0.968 0.871 CA 1.607 32 residues pruned to eliminate duplicates Z: 36 28.891 2.142 0.806 0.461 0.857 0.543 CB 1.533 23 residues pruned to eliminate duplicates Z: 8 19.576 1.999 0.783 0.862 1.000 0.714 CB 1.524 7 residues pruned to eliminate duplicates Z: 16 20.052 1.823 0.455 0.878 0.933 0.867 CB 1.517 Z: 17 19.655 1.926 0.838 0.756 0.938 0.750 CB 1.179 17 residues pruned to eliminate duplicates Z: 13 50.686 2.340 1.583 0.883 1.000 0.667 CA 1.750 13 residues pruned to eliminate duplicates Z: 12 38.482 2.230 1.442 0.873 1.000 0.545 CA 1.552 12 residues pruned to eliminate duplicates Z: 10 21.805 2.028 0.716 0.873 1.000 0.889 CB 1.521 10 residues pruned to eliminate duplicates Z: 16 33.559 2.153 0.668 0.923 1.000 0.800 CB 1.696 17 residues pruned to eliminate duplicates Z: 12 25.472 2.201 0.549 0.874 1.000 0.909 CA 1.639 12 residues pruned to eliminate duplicates Z: 12 22.449 1.954 0.706 0.853 0.909 0.545 CA 1.651 Z: 17 21.129 2.026 0.590 0.903 0.875 0.812 CB 1.335 Z: 30 36.639 1.976 0.739 0.932 0.966 0.828 CB 1.432 30 residues pruned to eliminate duplicates Z: 13 42.072 2.256 1.637 0.896 0.917 0.250 CB 1.595 13 residues pruned to eliminate duplicates Z: 14 28.903 2.204 1.115 0.894 0.846 0.538 CA 1.457 14 residues pruned to eliminate duplicates Z: 21 52.429 2.279 1.168 0.930 1.000 0.800 CA 1.660 21 residues pruned to eliminate duplicates Z: 16 27.371 2.047 0.849 0.921 0.800 0.533 CA 1.642 16 residues pruned to eliminate duplicates Z: 6 9.716 2.087 0.254 0.702 1.000 0.800 CB 1.382 6 residues pruned to eliminate duplicates Z: 11 21.311 2.116 0.495 0.905 0.900 0.700 CA 1.685 11 residues pruned to eliminate duplicates Z: 7 8.081 2.029 0.151 0.793 0.833 0.833 CB 1.311 7 residues pruned to eliminate duplicates Z: 16 22.162 2.093 0.401 0.889 0.933 0.733 CA 1.506 16 residues pruned to eliminate duplicates Z: 8 19.317 1.970 0.605 0.844 1.000 0.857 CA 1.717 8 residues pruned to eliminate duplicates Z: 7 13.996 2.155 0.319 0.860 1.000 1.000 CB 1.477 7 residues pruned to eliminate duplicates Z: 7 13.989 2.044 0.633 0.776 0.833 0.500 CB 1.609 7 residues pruned to eliminate duplicates Z: 14 23.699 1.905 0.882 0.824 0.923 0.769 CA 1.501 14 residues pruned to eliminate duplicates Z: 28 40.373 1.995 0.958 0.912 0.963 0.704 CB 1.463 Z: 12 29.731 1.996 1.019 0.908 1.000 0.818 CB 1.581 Z: 32 49.776 2.127 1.109 0.911 0.968 0.613 CB 1.459 31 residues pruned to eliminate duplicates Z: 8 19.804 2.125 0.786 0.696 1.000 0.571 CB 1.649 8 residues pruned to eliminate duplicates Z: 13 28.398 2.106 1.371 0.839 0.917 0.583 CB 1.337 13 residues pruned to eliminate duplicates Z: 17 31.015 1.977 0.861 0.918 1.000 0.500 CB 1.486 16 residues pruned to eliminate duplicates Z: 9 18.953 2.118 0.543 0.886 0.875 0.625 CB 1.691 11 residues pruned to eliminate duplicates Z: 14 31.857 2.061 0.874 0.850 1.000 0.615 CB 1.694 13 residues pruned to eliminate duplicates Z: 8 18.151 1.978 0.963 0.865 0.857 0.857 CA 1.510 8 residues pruned to eliminate duplicates Z: 16 32.726 2.099 0.723 0.940 1.000 0.867 CB 1.623 20 residues pruned to eliminate duplicates Z: 10 19.150 2.070 0.431 0.888 1.000 1.000 CB 1.553 10 residues pruned to eliminate duplicates Z: 9 9.461 1.904 0.262 0.774 0.875 0.750 CA 1.249 9 residues pruned to eliminate duplicates Z: 12 30.670 2.150 0.841 0.886 1.000 0.545 CB 1.686 12 residues pruned to eliminate duplicates Z: 9 19.927 2.144 0.545 0.875 1.000 0.875 CA 1.546 9 residues pruned to eliminate duplicates Z: 17 29.738 2.195 0.853 0.681 0.875 0.438 CA 1.770 17 residues pruned to eliminate duplicates Z: 22 33.453 1.934 0.954 0.844 1.000 0.762 CA 1.438 21 residues pruned to eliminate duplicates Z: 7 16.301 1.966 1.242 0.861 0.833 0.833 CA 1.332 Z: 7 13.619 1.644 0.809 0.788 1.000 0.833 N 1.451 Z: 41 53.881 2.114 0.865 0.861 0.975 0.650 CB 1.629 29 residues pruned to eliminate duplicates Z: 22 31.511 2.086 0.667 0.930 0.952 0.857 CB 1.452 Z: 13 28.019 2.026 0.761 0.922 1.000 0.917 CB 1.595 14 residues pruned to eliminate duplicates Z: 15 17.318 1.852 0.379 0.864 0.929 0.786 CA 1.430 15 residues pruned to eliminate duplicates Z: 12 27.779 1.965 0.955 0.916 1.000 0.818 CB 1.540 12 residues pruned to eliminate duplicates Z: 32 56.867 2.148 1.118 0.940 1.000 0.484 CB 1.559 32 residues pruned to eliminate duplicates Z: 11 21.863 2.152 0.358 0.826 1.000 0.800 N 1.785 11 residues pruned to eliminate duplicates Z: 15 23.821 2.107 0.653 0.846 0.857 0.857 CA 1.584 15 residues pruned to eliminate duplicates Z: 10 25.339 2.289 0.518 0.878 1.000 1.000 CB 1.763 10 residues pruned to eliminate duplicates Z: 11 40.526 2.428 1.054 0.929 1.000 0.500 CA 1.798 11 residues pruned to eliminate duplicates Z: 16 19.000 1.826 0.341 0.863 1.000 0.867 CB 1.470 Z: 23 29.383 2.038 0.569 0.894 0.955 0.773 CB 1.472 22 residues pruned to eliminate duplicates Z: 12 21.457 2.028 0.566 0.891 1.000 0.818 CA 1.464 12 residues pruned to eliminate duplicates Z: 14 25.600 2.009 0.643 0.905 0.923 0.692 CB 1.659 14 residues pruned to eliminate duplicates Z: 9 22.022 2.118 0.779 0.901 1.000 0.625 CB 1.475 9 residues pruned to eliminate duplicates Z: 16 31.572 2.132 0.561 0.903 1.000 0.733 CB 1.745 16 residues pruned to eliminate duplicates Z: 14 27.557 2.036 0.752 0.886 0.923 0.692 CA 1.675 14 residues pruned to eliminate duplicates Z: 10 22.359 2.109 0.517 0.835 1.000 0.556 CB 1.745 10 residues pruned to eliminate duplicates Z: 14 23.156 2.051 0.805 0.896 0.846 0.769 CB 1.469 14 residues pruned to eliminate duplicates Z: 32 54.099 2.138 0.989 0.935 1.000 0.677 CA 1.592 32 residues pruned to eliminate duplicates Z: 12 30.829 2.234 0.788 0.883 1.000 0.818 CA 1.683 12 residues pruned to eliminate duplicates Z: 16 25.396 2.130 0.646 0.798 0.933 0.800 CB 1.543 15 residues pruned to eliminate duplicates Z: 29 46.558 2.061 1.015 0.917 1.000 0.857 CB 1.495 28 residues pruned to eliminate duplicates Z: 14 43.231 2.203 1.510 0.911 1.000 0.692 CB 1.536 14 residues pruned to eliminate duplicates Z: 12 14.873 1.745 0.728 0.893 0.818 0.455 CA 1.305 12 residues pruned to eliminate duplicates Z: 14 13.513 1.778 0.236 0.904 0.923 0.846 CB 1.316 14 residues pruned to eliminate duplicates Z: 9 12.715 1.791 0.252 0.891 1.000 1.000 CB 1.441 9 residues pruned to eliminate duplicates Z: 10 23.804 2.328 0.521 0.854 0.889 0.778 CB 1.862 10 residues pruned to eliminate duplicates Z: 8 13.572 1.989 0.770 0.685 0.857 0.714 CB 1.434 Z: 32 37.663 2.122 0.558 0.925 1.000 0.839 CA 1.436 32 residues pruned to eliminate duplicates Z: 12 25.170 1.963 0.797 0.922 1.000 0.818 CB 1.513 12 residues pruned to eliminate duplicates Z: 16 24.933 2.093 0.580 0.872 0.933 0.867 CA 1.520 16 residues pruned to eliminate duplicates Z: 27 55.726 2.214 1.157 0.951 1.000 0.846 CA 1.578 27 residues pruned to eliminate duplicates Z: 13 23.133 2.049 0.743 0.850 1.000 0.833 CB 1.385 13 residues pruned to eliminate duplicates Z: 12 36.101 2.201 1.485 0.912 1.000 0.727 CB 1.410 12 residues pruned to eliminate duplicates Z: 13 16.149 1.882 0.309 0.907 1.000 0.750 CB 1.345 13 residues pruned to eliminate duplicates Z: 16 18.353 1.737 0.281 0.909 1.000 0.867 CB 1.512 16 residues pruned to eliminate duplicates Z: 31 46.415 2.080 1.022 0.876 0.967 0.700 CA 1.515 31 residues pruned to eliminate duplicates Z: 11 16.955 2.182 0.392 0.792 0.900 0.600 CB 1.517 11 residues pruned to eliminate duplicates Z: 12 42.256 2.353 1.235 0.896 1.000 0.727 CA 1.736 12 residues pruned to eliminate duplicates Z: 8 8.304 1.930 0.399 0.666 0.714 0.571 CB 1.395 8 residues pruned to eliminate duplicates Z: 13 19.613 1.855 0.528 0.848 0.917 0.750 O 1.617 12 residues pruned to eliminate duplicates Z: 12 30.238 2.082 1.256 0.910 1.000 0.636 CB 1.377 12 residues pruned to eliminate duplicates Z: 7 9.688 2.111 0.699 0.787 0.667 0.333 CB 1.286 7 residues pruned to eliminate duplicates Z: 14 23.990 2.191 0.419 0.897 0.923 0.923 CA 1.659 14 residues pruned to eliminate duplicates Z: 12 44.962 2.427 1.606 0.894 0.909 0.455 CA 1.692 12 residues pruned to eliminate duplicates Z: 30 29.204 2.262 0.630 0.639 0.862 0.586 CB 1.498 27 residues pruned to eliminate duplicates Z: 7 14.657 1.823 0.469 0.866 1.000 0.667 CB 1.636 Z: 28 28.928 1.960 0.408 0.918 1.000 0.852 CA 1.422 28 residues pruned to eliminate duplicates Z: 11 27.952 2.172 0.780 0.841 1.000 0.800 CA 1.704 11 residues pruned to eliminate duplicates Z: 14 25.501 1.892 1.132 0.829 0.923 0.769 CA 1.429 14 residues pruned to eliminate duplicates Z: 47 31.172 2.006 0.816 0.542 0.891 0.674 CB 1.358 Z: 12 20.314 1.978 0.701 0.867 1.000 0.727 N 1.331 12 residues pruned to eliminate duplicates Z: 8 22.330 2.074 0.722 0.783 1.000 0.857 CA 1.842 8 residues pruned to eliminate duplicates Z: 12 26.687 1.939 0.910 0.926 1.000 0.909 CB 1.524 12 residues pruned to eliminate duplicates Z: 15 39.509 2.229 0.887 0.942 1.000 0.786 CB 1.740 15 residues pruned to eliminate duplicates Z: 6 7.394 1.756 0.640 0.553 0.800 0.600 O 1.363 6 residues pruned to eliminate duplicates Z: 6 18.121 2.272 1.006 0.870 1.000 1.000 CA 1.298 6 residues pruned to eliminate duplicates Z: 9 14.081 2.009 0.361 0.891 0.875 0.875 CA 1.496 8 residues pruned to eliminate duplicates Z: 15 28.241 2.175 0.737 0.886 0.857 0.857 CA 1.681 15 residues pruned to eliminate duplicates Z: 11 24.543 2.133 0.542 0.838 1.000 0.800 CB 1.764 11 residues pruned to eliminate duplicates Z: 18 26.385 1.962 0.753 0.855 0.941 0.765 CB 1.458 17 residues pruned to eliminate duplicates Z: 13 27.585 2.173 0.658 0.880 0.917 0.917 CB 1.748 13 residues pruned to eliminate duplicates Z: 23 13.913 1.963 0.638 0.396 0.864 0.500 CB 1.192 Z: 28 25.774 2.046 0.587 0.688 0.889 0.704 CB 1.446 19 residues pruned to eliminate duplicates Z: 27 41.058 2.058 0.854 0.940 0.962 0.577 CB 1.525 27 residues pruned to eliminate duplicates Z: 8 10.659 1.891 0.553 0.749 0.857 0.571 CB 1.281 Z: 23 38.952 2.179 0.937 0.920 0.909 0.818 CB 1.525 23 residues pruned to eliminate duplicates Z: 20 26.565 1.940 0.826 0.850 0.895 0.789 CA 1.425 20 residues pruned to eliminate duplicates Z: 12 29.121 1.997 0.977 0.899 1.000 0.727 CB 1.589 12 residues pruned to eliminate duplicates Z: 16 30.227 2.150 0.664 0.932 0.933 0.667 CB 1.632 16 residues pruned to eliminate duplicates Z: 11 13.073 1.949 0.561 0.748 1.000 0.700 CB 1.088 11 residues pruned to eliminate duplicates Z: 12 27.738 1.987 0.869 0.910 0.909 0.818 CA 1.757 12 residues pruned to eliminate duplicates Z: 16 17.409 1.831 0.260 0.878 1.000 0.933 CB 1.413 16 residues pruned to eliminate duplicates Z: 20 27.944 2.062 0.707 0.823 0.947 0.684 CB 1.453 20 residues pruned to eliminate duplicates Z: 16 22.326 1.893 0.543 0.865 0.933 0.733 CB 1.549 Z: 10 15.267 1.891 0.764 0.807 0.778 0.333 CA 1.501 9 residues pruned to eliminate duplicates Z: 7 20.001 2.183 0.574 0.893 1.000 1.000 CB 1.706 7 residues pruned to eliminate duplicates Z: 15 31.241 2.183 0.741 0.896 0.929 0.857 CA 1.695 15 residues pruned to eliminate duplicates Z: 31 53.469 2.228 0.865 0.921 1.000 0.833 CB 1.653 31 residues pruned to eliminate duplicates Z: 31 43.194 2.165 0.646 0.908 1.000 0.767 CA 1.572 31 residues pruned to eliminate duplicates Z: 12 15.341 1.960 0.269 0.868 1.000 0.909 CB 1.360 12 residues pruned to eliminate duplicates Z: 9 18.638 2.120 0.649 0.859 1.000 1.000 CB 1.387 10 residues pruned to eliminate duplicates Z: 19 41.461 2.250 0.876 0.912 1.000 1.000 CA 1.640 19 residues pruned to eliminate duplicates Z: 18 33.223 1.958 0.821 0.914 1.000 0.824 CB 1.599 17 residues pruned to eliminate duplicates Z: 23 46.280 2.197 1.011 0.892 1.000 0.955 CA 1.604 23 residues pruned to eliminate duplicates Z: 14 42.051 2.267 1.479 0.909 1.000 0.923 CA 1.473 14 residues pruned to eliminate duplicates Z: 11 28.572 2.053 1.133 0.916 1.000 1.000 CB 1.457 11 residues pruned to eliminate duplicates Z: 15 35.761 2.228 0.679 0.941 1.000 0.857 CA 1.773 15 residues pruned to eliminate duplicates Z: 28 43.681 2.088 0.916 0.943 1.000 0.815 CB 1.456 28 residues pruned to eliminate duplicates Z: 29 43.634 2.024 0.820 0.955 1.000 0.893 CA 1.539 29 residues pruned to eliminate duplicates Z: 7 19.334 2.136 0.948 0.828 1.000 0.667 CA 1.428 8 residues pruned to eliminate duplicates Z: 24 36.653 2.048 1.142 0.915 0.783 0.435 CB 1.573 24 residues pruned to eliminate duplicates Z: 16 21.830 1.816 0.549 0.879 0.933 0.733 C 1.557 16 residues pruned to eliminate duplicates Z: 18 22.986 1.982 0.405 0.870 0.941 0.882 CA 1.552 18 residues pruned to eliminate duplicates Z: 27 54.996 2.151 1.175 0.940 1.000 0.577 CB 1.601 27 residues pruned to eliminate duplicates Z: 13 29.005 2.122 0.681 0.896 1.000 0.833 CA 1.682 13 residues pruned to eliminate duplicates Z: 9 18.675 2.118 0.536 0.847 1.000 1.000 CB 1.506 8 residues pruned to eliminate duplicates Z: 32 53.175 2.135 1.146 0.925 0.968 0.710 CB 1.511 32 residues pruned to eliminate duplicates Z: 18 18.436 1.803 0.641 0.804 0.941 0.765 CB 1.232 19 residues pruned to eliminate duplicates Z: 14 24.181 1.940 0.837 0.912 1.000 0.769 CB 1.332 14 residues pruned to eliminate duplicates Z: 17 24.221 2.039 0.416 0.902 0.938 0.875 CA 1.595 17 residues pruned to eliminate duplicates Z: 7 8.111 1.718 0.418 0.409 1.000 0.333 CA 1.495 7 residues pruned to eliminate duplicates Z: 24 33.493 2.060 0.775 0.903 0.913 0.739 CB 1.491 23 residues pruned to eliminate duplicates Z: 12 25.737 2.188 0.585 0.890 0.909 0.727 CA 1.771 12 residues pruned to eliminate duplicates Z: 15 32.609 2.201 0.675 0.924 1.000 0.643 CB 1.660 15 residues pruned to eliminate duplicates Z: 30 35.578 1.931 0.633 0.901 1.000 0.862 CA 1.494 29 residues pruned to eliminate duplicates Z: 7 18.726 2.171 1.105 0.851 1.000 0.667 CB 1.238 7 residues pruned to eliminate duplicates Z: 32 40.520 2.095 0.967 0.941 0.903 0.581 CB 1.357 32 residues pruned to eliminate duplicates Z: 27 51.692 2.218 1.025 0.948 1.000 0.808 CA 1.558 27 residues pruned to eliminate duplicates Z: 45 25.157 1.982 0.536 0.572 0.909 0.455 CB 1.278 26 residues pruned to eliminate duplicates Z: 12 23.305 1.995 0.726 0.904 0.909 0.636 CA 1.598 12 residues pruned to eliminate duplicates Z: 16 25.628 2.075 0.737 0.856 0.867 0.733 CA 1.562 16 residues pruned to eliminate duplicates Z: 29 33.655 1.955 0.585 0.925 1.000 0.893 CA 1.441 29 residues pruned to eliminate duplicates Z: 52 33.062 2.216 0.705 0.494 0.863 0.529 CB 1.428 35 residues pruned to eliminate duplicates Z: 98 55.985 2.164 0.813 0.552 0.918 0.546 CB 1.500 98 residues pruned to eliminate duplicates Z: 7 5.156 1.910 0.259 0.421 1.000 0.500 CB 0.950 6 residues pruned to eliminate duplicates Z: 8 11.992 1.809 0.689 0.835 0.857 0.857 CB 1.296 8 residues pruned to eliminate duplicates Z: 29 36.352 1.938 0.849 0.904 0.964 0.464 CB 1.416 29 residues pruned to eliminate duplicates Z: 18 20.839 1.946 0.570 0.810 0.882 0.824 CB 1.432 18 residues pruned to eliminate duplicates Z: 24 24.040 2.054 0.300 0.887 0.913 0.826 CB 1.482 24 residues pruned to eliminate duplicates Z: 12 19.858 1.971 0.918 0.861 0.909 0.636 CB 1.280 12 residues pruned to eliminate duplicates Z: 9 11.557 1.822 0.563 0.769 0.875 0.875 CB 1.293 9 residues pruned to eliminate duplicates Z: 16 30.598 2.086 0.693 0.851 1.000 0.800 CA 1.656 17 residues pruned to eliminate duplicates Z: 17 30.098 1.973 0.684 0.929 1.000 0.938 CB 1.584 17 residues pruned to eliminate duplicates Z: 12 29.034 2.111 0.827 0.909 0.909 0.636 CA 1.772 12 residues pruned to eliminate duplicates Z: 9 11.774 1.694 0.866 0.615 1.000 0.625 CA 1.181 9 residues pruned to eliminate duplicates Z: 29 31.815 1.934 0.449 0.912 1.000 0.786 CB 1.519 29 residues pruned to eliminate duplicates Z: 19 25.802 2.047 0.805 0.873 0.889 0.667 CA 1.349 19 residues pruned to eliminate duplicates Z: 36 25.759 2.172 0.714 0.486 0.857 0.400 CB 1.384 36 residues pruned to eliminate duplicates Z: 15 8.338 1.737 0.194 0.525 0.857 0.786 CB 1.222 Z: 46 30.057 2.212 0.632 0.426 0.889 0.444 CB 1.509 46 residues pruned to eliminate duplicates Z: 15 18.353 1.797 0.316 0.867 1.000 0.786 CA 1.518 15 residues pruned to eliminate duplicates Z: 16 31.012 2.115 0.770 0.865 1.000 0.933 CA 1.567 16 residues pruned to eliminate duplicates Z: 17 28.883 2.061 0.601 0.897 1.000 0.875 CA 1.566 17 residues pruned to eliminate duplicates Z: 25 24.275 1.949 0.400 0.819 0.917 0.833 CA 1.503 25 residues pruned to eliminate duplicates Z: 17 16.291 1.983 0.640 0.501 0.875 0.875 CB 1.429 8 residues pruned to eliminate duplicates Z: 32 45.264 2.119 0.789 0.898 1.000 0.806 CA 1.535 32 residues pruned to eliminate duplicates Z: 15 28.090 2.167 0.661 0.878 0.929 0.857 CA 1.630 15 residues pruned to eliminate duplicates Z: 9 11.478 1.804 0.257 0.853 1.000 0.750 CB 1.323 Z: 18 21.276 1.849 0.485 0.874 0.941 0.882 CB 1.454 16 residues pruned to eliminate duplicates Z: 15 23.221 1.959 0.561 0.909 0.929 0.857 CB 1.551 16 residues pruned to eliminate duplicates Z: 16 23.926 2.065 0.328 0.925 1.000 0.867 CA 1.581 16 residues pruned to eliminate duplicates Z: 27 18.872 2.060 0.629 0.521 0.846 0.577 CB 1.277 17 residues pruned to eliminate duplicates Z: 9 13.935 1.947 0.462 0.876 0.875 0.625 CB 1.438 8 residues pruned to eliminate duplicates Z: 13 25.174 1.972 0.658 0.922 1.000 0.917 CB 1.563 Z: 31 16.890 2.021 0.517 0.415 0.867 0.633 CB 1.268 27 residues pruned to eliminate duplicates Z: 67 26.394 1.933 0.561 0.474 0.879 0.576 CB 1.257 70 residues pruned to eliminate duplicates Z: 16 32.988 2.090 0.918 0.890 1.000 0.867 CA 1.529 16 residues pruned to eliminate duplicates Z: 14 19.976 1.972 0.658 0.881 1.000 0.692 CA 1.227 14 residues pruned to eliminate duplicates Z: 22 29.830 2.021 0.697 0.931 0.952 0.714 CB 1.393 Z: 31 49.930 2.203 0.777 0.920 1.000 0.800 CA 1.639 31 residues pruned to eliminate duplicates Z: 9 12.736 1.860 0.630 0.764 0.875 0.500 CB 1.343 Z: 17 23.183 2.029 0.430 0.907 0.938 0.812 CB 1.515 17 residues pruned to eliminate duplicates Z: 13 31.777 2.116 0.860 0.933 1.000 0.917 CA 1.627 13 residues pruned to eliminate duplicates Z: 9 13.922 2.030 0.321 0.914 1.000 0.875 CA 1.298 9 residues pruned to eliminate duplicates Z: 27 34.094 1.979 0.657 0.929 0.923 0.769 CB 1.545 27 residues pruned to eliminate duplicates Z: 14 23.011 1.939 0.872 0.917 1.000 0.692 CB 1.241 14 residues pruned to eliminate duplicates Z: 16 20.175 1.929 0.564 0.885 0.933 0.533 CB 1.335 15 residues pruned to eliminate duplicates Z: 9 8.458 1.789 0.337 0.780 0.875 0.625 CB 1.117 9 residues pruned to eliminate duplicates Z: 28 25.960 1.978 0.695 0.636 0.963 0.333 CB 1.361 24 residues pruned to eliminate duplicates Z: 16 26.761 2.075 0.537 0.922 0.933 0.867 CB 1.633 16 residues pruned to eliminate duplicates Z: 10 5.436 1.818 -0.077 0.773 0.778 0.778 CB 1.091 Z: 59 40.160 2.246 0.657 0.470 0.897 0.586 CB 1.630 67 residues pruned to eliminate duplicates Z: 14 19.527 2.066 0.324 0.880 0.923 0.846 CB 1.554 14 residues pruned to eliminate duplicates Z: 10 16.072 2.232 0.191 0.840 0.889 0.444 CB 1.692 10 residues pruned to eliminate duplicates Z: 18 28.348 1.919 0.650 0.921 1.000 0.882 CA 1.528 18 residues pruned to eliminate duplicates Z: 9 11.632 1.771 0.561 0.885 0.750 0.500 CB 1.433 9 residues pruned to eliminate duplicates Z: 17 26.505 2.046 0.657 0.873 0.938 0.875 CA 1.518 17 residues pruned to eliminate duplicates Z: 32 45.659 2.140 0.829 0.918 0.968 0.871 CB 1.526 32 residues pruned to eliminate duplicates Z: 19 27.131 1.955 0.772 0.813 0.944 0.778 CB 1.489 19 residues pruned to eliminate duplicates Z: 24 40.662 2.125 0.911 0.939 1.000 0.957 CA 1.451 24 residues pruned to eliminate duplicates Z: 28 37.967 1.966 0.844 0.909 0.963 0.667 CB 1.484 26 residues pruned to eliminate duplicates Z: 14 6.233 1.795 0.436 0.304 0.692 0.385 CB 1.206 14 residues pruned to eliminate duplicates Z: 29 40.922 1.972 0.812 0.883 1.000 0.714 CA 1.565 29 residues pruned to eliminate duplicates Z: 13 25.648 2.138 0.641 0.917 1.000 0.417 CB 1.489 13 residues pruned to eliminate duplicates Z: 22 23.421 1.971 0.732 0.855 0.857 0.429 CB 1.289 22 residues pruned to eliminate duplicates Z: 14 21.972 2.047 0.365 0.869 1.000 0.769 CA 1.592 14 residues pruned to eliminate duplicates Z: 29 44.296 2.078 0.795 0.948 1.000 0.929 CB 1.550 29 residues pruned to eliminate duplicates Z: 30 19.108 2.012 0.457 0.559 0.862 0.621 CB 1.326 31 residues pruned to eliminate duplicates Z: 19 7.047 1.677 0.219 0.345 0.889 0.500 CB 1.082 Z: 11 26.643 2.375 0.565 0.860 1.000 0.700 CA 1.667 11 residues pruned to eliminate duplicates Z: 14 26.636 2.108 0.776 0.901 1.000 0.846 CB 1.409 14 residues pruned to eliminate duplicates Z: 28 27.377 1.994 0.519 0.736 0.963 0.741 CB 1.461 18 residues pruned to eliminate duplicates Z: 38 30.782 1.969 0.697 0.725 0.919 0.486 CB 1.346 23 residues pruned to eliminate duplicates Z: 12 20.231 1.968 0.678 0.920 0.909 0.909 CA 1.430 12 residues pruned to eliminate duplicates Z: 11 23.211 2.148 0.446 0.894 1.000 0.800 CB 1.696 10 residues pruned to eliminate duplicates Z: 26 30.759 2.141 0.756 0.560 0.920 0.400 CB 1.678 26 residues pruned to eliminate duplicates Z: 16 28.963 2.033 0.826 0.917 0.933 0.800 CB 1.523 16 residues pruned to eliminate duplicates Z: 9 7.412 1.953 0.380 0.550 1.000 0.875 CB 0.926 9 residues pruned to eliminate duplicates Z: 23 22.416 1.985 0.250 0.914 0.955 0.864 CA 1.427 23 residues pruned to eliminate duplicates Z: 15 28.573 2.032 0.602 0.931 1.000 0.714 CB 1.640 15 residues pruned to eliminate duplicates Z: 7 11.873 1.858 0.533 0.788 1.000 1.000 CB 1.321 7 residues pruned to eliminate duplicates Z: 11 7.528 1.758 0.368 0.526 0.900 0.600 CB 1.072 Z: 18 24.684 1.965 0.476 0.846 1.000 0.647 CA 1.534 17 residues pruned to eliminate duplicates Z: 22 30.032 2.023 0.595 0.895 0.952 0.619 CB 1.528 22 residues pruned to eliminate duplicates Z: 7 13.351 1.833 0.808 0.858 1.000 1.000 CA 1.211 Z: 30 41.906 2.002 0.944 0.906 1.000 0.793 CB 1.422 29 residues pruned to eliminate duplicates Z: 8 10.516 2.069 0.508 0.692 0.714 0.714 CA 1.496 8 residues pruned to eliminate duplicates Z: 14 32.044 2.063 0.866 0.902 1.000 0.769 CA 1.647 14 residues pruned to eliminate duplicates Z: 46 17.675 1.854 0.534 0.413 0.867 0.467 CB 1.171 46 residues pruned to eliminate duplicates Z: 28 28.696 1.961 0.379 0.938 0.963 0.852 CA 1.474 28 residues pruned to eliminate duplicates Z: 46 60.090 2.247 1.043 0.786 0.956 0.733 CA 1.587 46 residues pruned to eliminate duplicates Z: 9 9.013 1.718 0.623 0.565 0.750 0.625 N 1.430 8 residues pruned to eliminate duplicates Z: 9 24.341 2.194 1.159 0.857 0.875 0.750 CA 1.529 9 residues pruned to eliminate duplicates Z: 58 30.524 2.140 0.686 0.436 0.825 0.544 CB 1.451 55 residues pruned to eliminate duplicates Z: 27 58.693 2.205 1.349 0.946 0.962 0.462 CB 1.598 27 residues pruned to eliminate duplicates Z: 29 28.299 2.049 0.890 0.599 0.929 0.536 CB 1.354 29 residues pruned to eliminate duplicates Z: 16 20.021 1.849 0.516 0.899 1.000 0.667 CB 1.318 16 residues pruned to eliminate duplicates Z: 30 40.339 1.952 0.681 0.941 1.000 0.862 CB 1.585 30 residues pruned to eliminate duplicates Z: 16 17.050 1.833 0.540 0.898 0.867 0.733 CB 1.287 15 residues pruned to eliminate duplicates Z: 29 43.261 2.052 0.761 0.933 1.000 0.893 CA 1.579 29 residues pruned to eliminate duplicates Z: 10 13.745 1.668 0.879 0.747 0.889 0.667 CA 1.318 9 residues pruned to eliminate duplicates Z: 18 9.568 2.017 0.501 0.439 0.706 0.471 CB 1.156 7 residues pruned to eliminate duplicates Z: 8 9.660 1.976 0.280 0.658 1.000 0.857 CB 1.247 Z: 7 14.202 1.894 1.009 0.741 1.000 0.667 CA 1.228 7 residues pruned to eliminate duplicates Z: 39 28.243 1.944 0.770 0.547 0.947 0.474 CB 1.342 39 residues pruned to eliminate duplicates Z: 29 33.788 1.956 0.668 0.933 1.000 0.571 CB 1.366 29 residues pruned to eliminate duplicates Z: 6 12.454 1.853 0.828 0.721 1.000 0.800 CB 1.346 6 residues pruned to eliminate duplicates Z: 12 16.800 1.898 0.461 0.826 1.000 0.636 CA 1.378 7 residues pruned to eliminate duplicates Z: 24 28.357 1.996 0.768 0.825 0.957 0.609 CB 1.321 24 residues pruned to eliminate duplicates Z: 24 30.549 2.022 0.599 0.898 0.957 0.783 CB 1.473 24 residues pruned to eliminate duplicates Z: 15 17.547 1.818 0.336 0.851 1.000 0.786 CB 1.429 15 residues pruned to eliminate duplicates Z: 14 8.891 1.720 0.656 0.460 0.923 0.538 CB 0.978 14 residues pruned to eliminate duplicates Z: 30 42.127 2.019 0.933 0.934 0.966 0.621 CB 1.448 30 residues pruned to eliminate duplicates Z: 13 18.855 2.164 0.237 0.899 1.000 0.917 CA 1.453 13 residues pruned to eliminate duplicates Z: 25 33.933 2.012 0.645 0.906 0.958 0.792 CB 1.554 25 residues pruned to eliminate duplicates Z: 6 12.955 1.808 0.841 0.855 1.000 0.800 N 1.285 6 residues pruned to eliminate duplicates Z: 60 56.178 2.276 0.834 0.575 0.983 0.661 CB 1.658 60 residues pruned to eliminate duplicates Z: 27 20.318 2.114 0.510 0.532 0.923 0.538 CB 1.310 20 residues pruned to eliminate duplicates Z: 24 27.768 1.943 0.517 0.926 0.957 0.826 CB 1.440 24 residues pruned to eliminate duplicates Z: 10 8.739 1.951 0.125 0.548 1.000 0.889 CB 1.267 9 residues pruned to eliminate duplicates Z: 14 22.467 1.935 0.598 0.862 1.000 0.923 CA 1.479 14 residues pruned to eliminate duplicates Z: 6 8.303 1.938 0.620 0.710 0.800 0.600 CB 1.222 6 residues pruned to eliminate duplicates Z: 24 17.568 1.909 0.168 0.855 0.913 0.783 CA 1.328 24 residues pruned to eliminate duplicates Z: 24 33.782 2.003 0.679 0.880 1.000 0.739 CB 1.517 24 residues pruned to eliminate duplicates Z: 27 26.341 2.155 0.811 0.567 0.885 0.654 CB 1.403 26 residues pruned to eliminate duplicates Z: 13 37.337 2.186 1.462 0.904 0.917 0.667 CB 1.556 13 residues pruned to eliminate duplicates Z: 23 30.533 2.051 0.715 0.863 0.955 0.818 CB 1.422 23 residues pruned to eliminate duplicates Z: 28 36.999 2.168 1.089 0.583 0.926 0.519 CB 1.568 28 residues pruned to eliminate duplicates Z: 31 34.418 2.116 0.804 0.925 0.900 0.367 CB 1.283 31 residues pruned to eliminate duplicates Z: 95 56.199 2.178 0.758 0.554 0.936 0.585 CB 1.535 95 residues pruned to eliminate duplicates Z: 32 49.440 2.037 1.144 0.897 1.000 0.548 CB 1.455 32 residues pruned to eliminate duplicates Z: 12 22.180 2.003 0.621 0.918 1.000 0.909 CB 1.453 12 residues pruned to eliminate duplicates Z: 27 23.670 2.033 0.451 0.628 0.923 0.769 CB 1.512 27 residues pruned to eliminate duplicates Z: 10 8.703 1.824 0.351 0.504 0.889 0.778 N 1.320 Z: 14 23.111 1.984 0.482 0.929 1.000 0.923 CB 1.525 13 residues pruned to eliminate duplicates Z: 15 21.213 1.962 0.492 0.855 0.929 0.857 CB 1.539 15 residues pruned to eliminate duplicates Z: 10 10.325 1.764 0.316 0.870 0.889 0.778 CB 1.217 Z: 15 20.696 1.972 0.312 0.883 1.000 0.786 CB 1.545 15 residues pruned to eliminate duplicates Z: 27 47.399 2.134 0.995 0.942 1.000 0.692 CB 1.514 27 residues pruned to eliminate duplicates Z: 13 14.634 1.703 0.924 0.720 0.917 0.500 CA 1.153 13 residues pruned to eliminate duplicates Z: 14 5.975 1.614 0.120 0.530 0.846 0.615 CB 1.052 Z: 24 25.343 1.900 0.657 0.882 0.957 0.391 CB 1.270 24 residues pruned to eliminate duplicates Z: 11 20.101 2.052 0.669 0.924 0.900 0.800 CB 1.448 11 residues pruned to eliminate duplicates Z: 8 12.068 1.666 1.224 0.834 0.857 0.714 CB 1.076 8 residues pruned to eliminate duplicates Z: 44 48.479 2.112 0.940 0.858 0.930 0.535 CB 1.428 47 residues pruned to eliminate duplicates Z: 11 11.085 1.882 0.196 0.836 1.000 0.600 CA 1.166 11 residues pruned to eliminate duplicates Z: 10 13.011 1.901 0.494 0.868 1.000 0.556 CB 1.116 10 residues pruned to eliminate duplicates Z: 17 28.530 2.054 0.676 0.863 1.000 0.812 CA 1.520 17 residues pruned to eliminate duplicates Z: 46 19.805 1.927 0.471 0.438 0.889 0.600 CB 1.249 46 residues pruned to eliminate duplicates Z: 8 13.293 1.941 0.351 0.851 1.000 0.714 CB 1.418 8 residues pruned to eliminate duplicates Z: 8 16.099 1.829 0.791 0.855 1.000 0.571 CB 1.372 8 residues pruned to eliminate duplicates Z: 11 35.990 2.329 1.011 0.922 1.000 0.900 CB 1.709 11 residues pruned to eliminate duplicates Z: 12 26.844 1.993 0.975 0.932 1.000 0.727 CB 1.436 12 residues pruned to eliminate duplicates Z: 8 5.216 1.461 0.212 0.580 1.000 0.571 CB 1.031 7 residues pruned to eliminate duplicates Z: 18 29.775 1.947 0.816 0.879 1.000 0.824 CB 1.481 18 residues pruned to eliminate duplicates Z: 29 23.923 1.972 0.501 0.639 0.929 0.643 CB 1.444 29 residues pruned to eliminate duplicates Z: 8 13.062 1.889 0.706 0.876 0.857 0.857 CA 1.300 8 residues pruned to eliminate duplicates Z: 24 24.371 1.965 0.629 0.843 0.826 0.609 CB 1.431 24 residues pruned to eliminate duplicates Z: 14 19.907 1.911 0.662 0.837 0.923 0.692 CB 1.409 14 residues pruned to eliminate duplicates Z: 14 20.897 1.822 0.620 0.837 1.000 0.692 CA 1.469 14 residues pruned to eliminate duplicates Z: 8 6.776 1.881 0.121 0.544 0.714 0.429 CB 1.628 Z: 44 65.906 2.285 1.270 0.792 0.930 0.744 CA 1.612 44 residues pruned to eliminate duplicates Z: 29 44.603 2.016 0.984 0.953 1.000 0.607 CB 1.451 29 residues pruned to eliminate duplicates Z: 17 28.372 2.017 0.559 0.942 1.000 0.562 CA 1.563 17 residues pruned to eliminate duplicates Z: 57 58.561 2.253 0.758 0.780 0.964 0.821 CB 1.601 58 residues pruned to eliminate duplicates Z: 16 11.912 1.812 0.492 0.420 0.867 0.600 CB 1.427 16 residues pruned to eliminate duplicates Z: 24 25.378 1.865 0.654 0.881 0.913 0.609 CB 1.361 24 residues pruned to eliminate duplicates Z: 18 19.070 1.809 0.645 0.909 0.941 0.824 CB 1.171 Z: 24 23.433 1.961 0.343 0.889 0.957 0.913 CA 1.397 24 residues pruned to eliminate duplicates Z: 30 38.182 1.966 0.681 0.939 0.966 0.862 CB 1.544 30 residues pruned to eliminate duplicates Z: 24 42.558 2.256 1.308 0.618 0.957 0.652 CA 1.594 24 residues pruned to eliminate duplicates Z: 13 23.414 2.091 0.471 0.931 1.000 0.917 CA 1.535 13 residues pruned to eliminate duplicates Z: 9 16.404 2.093 0.456 0.842 1.000 0.875 CB 1.419 9 residues pruned to eliminate duplicates Z: 14 20.380 1.989 0.462 0.923 0.923 0.846 CB 1.479 14 residues pruned to eliminate duplicates Z: 32 53.614 2.174 0.974 0.924 0.968 0.839 CB 1.627 32 residues pruned to eliminate duplicates Z: 14 24.166 1.990 0.541 0.921 1.000 0.846 CB 1.538 14 residues pruned to eliminate duplicates Z: 15 22.722 1.974 0.421 0.934 1.000 0.929 CB 1.510 15 residues pruned to eliminate duplicates Z: 14 28.410 2.216 0.597 0.901 0.923 0.846 CA 1.722 14 residues pruned to eliminate duplicates Z: 13 28.204 2.102 0.563 0.902 1.000 0.750 CB 1.767 13 residues pruned to eliminate duplicates Z: 80 32.020 1.952 0.683 0.522 0.924 0.557 CB 1.161 79 residues pruned to eliminate duplicates Z: 37 13.847 1.877 0.393 0.364 0.917 0.500 CB 1.115 37 residues pruned to eliminate duplicates Z: 14 16.706 1.777 0.645 0.869 1.000 0.538 CB 1.158 14 residues pruned to eliminate duplicates Z: 13 19.537 1.929 0.551 0.911 1.000 0.917 CB 1.336 13 residues pruned to eliminate duplicates Z: 8 11.213 2.003 0.798 0.750 0.714 0.571 CA 1.318 8 residues pruned to eliminate duplicates Z: 6 12.574 1.998 0.743 0.816 0.800 0.600 CB 1.533 6 residues pruned to eliminate duplicates Z: 17 30.581 2.013 0.695 0.865 1.000 0.875 CA 1.642 17 residues pruned to eliminate duplicates Z: 43 27.529 2.021 0.622 0.560 0.881 0.452 CB 1.389 43 residues pruned to eliminate duplicates Z: 14 26.370 2.122 0.815 0.792 0.923 0.615 CA 1.592 15 residues pruned to eliminate duplicates Z: 7 10.391 2.061 0.082 0.886 1.000 0.833 CB 1.372 12 residues pruned to eliminate duplicates Z: 16 29.742 2.066 0.661 0.928 1.000 0.933 CA 1.567 16 residues pruned to eliminate duplicates Z: 24 27.609 1.937 0.651 0.867 0.913 0.652 CB 1.442 24 residues pruned to eliminate duplicates Z: 20 32.418 1.983 1.078 0.929 0.895 0.526 CB 1.412 20 residues pruned to eliminate duplicates Z: 16 23.346 2.061 0.483 0.857 0.933 0.733 CA 1.558 16 residues pruned to eliminate duplicates Z: 10 10.775 1.631 0.378 0.901 1.000 0.889 CB 1.141 10 residues pruned to eliminate duplicates Z: 13 14.462 1.690 0.470 0.891 1.000 0.750 CB 1.208 10 residues pruned to eliminate duplicates Z: 17 11.605 1.980 0.403 0.390 0.812 0.500 CA 1.444 17 residues pruned to eliminate duplicates Z: 15 23.201 1.858 0.809 0.843 0.929 0.714 CA 1.479 15 residues pruned to eliminate duplicates Z: 14 18.122 2.100 0.408 0.885 0.846 0.769 CA 1.450 14 residues pruned to eliminate duplicates Z: 12 19.216 1.850 0.865 0.909 1.000 0.909 CB 1.191 12 residues pruned to eliminate duplicates Z: 32 54.399 2.170 1.131 0.937 1.000 0.516 CB 1.471 32 residues pruned to eliminate duplicates Z: 23 21.080 1.998 0.741 0.540 0.818 0.591 CB 1.518 12 residues pruned to eliminate duplicates Z: 16 17.952 2.010 0.274 0.875 0.933 0.800 CA 1.409 16 residues pruned to eliminate duplicates Z: 11 8.890 2.048 0.459 0.430 0.900 0.500 CB 1.125 12 residues pruned to eliminate duplicates Z: 6 16.044 2.206 0.687 0.835 1.000 0.800 CA 1.444 6 residues pruned to eliminate duplicates Z: 60 54.926 2.215 0.942 0.670 0.932 0.780 CA 1.524 60 residues pruned to eliminate duplicates Z: 8 14.041 1.853 0.511 0.876 1.000 1.000 CB 1.377 8 residues pruned to eliminate duplicates Z: 38 25.547 2.153 0.635 0.477 0.838 0.486 CB 1.458 35 residues pruned to eliminate duplicates Z: 14 25.878 1.975 0.643 0.906 1.000 1.000 CA 1.572 14 residues pruned to eliminate duplicates Z: 15 26.374 2.115 0.657 0.888 0.929 0.643 CA 1.561 15 residues pruned to eliminate duplicates Z: 29 32.001 1.906 0.578 0.908 1.000 0.821 CA 1.428 29 residues pruned to eliminate duplicates Z: 21 33.084 1.952 0.794 0.944 1.000 0.450 CB 1.462 21 residues pruned to eliminate duplicates Z: 13 23.202 2.092 0.693 0.856 0.833 0.667 CB 1.674 13 residues pruned to eliminate duplicates Z: 23 29.159 1.977 0.542 0.927 0.955 0.864 CB 1.497 23 residues pruned to eliminate duplicates Z: 17 16.116 1.794 0.481 0.903 1.000 0.688 CB 1.080 15 residues pruned to eliminate duplicates Z: 12 36.115 2.295 1.077 0.908 1.000 1.000 CA 1.623 12 residues pruned to eliminate duplicates Z: 8 8.645 1.928 0.180 0.604 1.000 0.714 CB 1.301 8 residues pruned to eliminate duplicates Z: 22 33.863 2.002 0.960 0.905 0.952 0.524 CB 1.407 22 residues pruned to eliminate duplicates Z: 22 44.325 2.166 1.048 0.877 1.000 0.810 CB 1.583 22 residues pruned to eliminate duplicates Z: 32 57.828 2.149 1.194 0.940 1.000 0.613 CB 1.529 32 residues pruned to eliminate duplicates Z: 11 5.845 1.752 0.250 0.413 0.800 0.400 CB 1.157 Z: 26 24.494 1.828 0.436 0.887 0.960 0.840 CB 1.401 26 residues pruned to eliminate duplicates Z: 10 8.479 1.689 0.510 0.657 1.000 0.889 CB 0.958 Z: 23 27.213 1.960 0.508 0.925 0.955 0.591 CB 1.442 23 residues pruned to eliminate duplicates Z: 10 8.617 1.833 0.790 0.394 0.778 0.444 CB 1.259 10 residues pruned to eliminate duplicates Z: 30 33.004 1.928 0.492 0.916 0.966 0.828 CB 1.558 30 residues pruned to eliminate duplicates Z: 15 19.053 1.836 0.804 0.851 0.929 0.500 CB 1.226 15 residues pruned to eliminate duplicates Z: 8 9.481 1.853 0.198 0.870 0.857 0.857 CA 1.375 8 residues pruned to eliminate duplicates Z: 11 5.136 1.741 0.025 0.449 1.000 0.800 CB 0.958 11 residues pruned to eliminate duplicates Z: 29 30.780 2.206 0.742 0.521 0.929 0.571 CB 1.597 30 residues pruned to eliminate duplicates Z: 26 25.636 1.862 0.542 0.864 0.920 0.520 CA 1.423 26 residues pruned to eliminate duplicates Z: 8 10.849 1.885 0.634 0.819 0.857 0.571 CB 1.178 8 residues pruned to eliminate duplicates Z: 28 33.744 1.965 0.553 0.923 0.963 0.889 CA 1.553 28 residues pruned to eliminate duplicates Z: 14 20.342 2.139 0.232 0.907 0.923 0.923 CB 1.649 14 residues pruned to eliminate duplicates Z: 8 12.635 1.861 0.174 0.868 1.000 0.714 CB 1.598 8 residues pruned to eliminate duplicates Z: 15 16.472 1.771 0.522 0.841 1.000 0.571 CB 1.218 15 residues pruned to eliminate duplicates Z: 8 22.887 2.185 1.071 0.774 1.000 0.714 CB 1.501 8 residues pruned to eliminate duplicates Z: 45 23.092 2.136 0.649 0.329 0.795 0.409 CB 1.499 45 residues pruned to eliminate duplicates Z: 23 28.695 1.951 0.635 0.886 0.955 0.727 CB 1.449 23 residues pruned to eliminate duplicates Z: 11 28.229 2.246 0.621 0.849 1.000 0.700 CB 1.818 11 residues pruned to eliminate duplicates Z: 36 29.160 2.248 0.757 0.525 0.857 0.686 CB 1.420 36 residues pruned to eliminate duplicates Z: 14 9.730 1.789 0.067 0.863 0.923 0.769 CB 1.123 10 residues pruned to eliminate duplicates Z: 26 18.857 2.020 0.819 0.492 0.760 0.360 CB 1.361 25 residues pruned to eliminate duplicates Z: 67 48.790 2.044 0.734 0.702 0.970 0.667 CB 1.454 64 residues pruned to eliminate duplicates Z: 12 20.840 1.858 0.891 0.817 1.000 0.818 CB 1.358 9 residues pruned to eliminate duplicates Z: 14 19.807 1.835 0.766 0.895 0.923 0.615 CB 1.317 14 residues pruned to eliminate duplicates Z: 15 26.338 1.964 0.697 0.863 0.929 0.786 CB 1.669 15 residues pruned to eliminate duplicates Z: 23 31.041 2.065 0.784 0.897 0.864 0.682 CB 1.489 23 residues pruned to eliminate duplicates Z: 17 22.447 1.902 0.461 0.901 0.938 0.750 CB 1.538 17 residues pruned to eliminate duplicates Z: 8 13.120 1.940 0.339 0.837 1.000 0.714 CB 1.427 8 residues pruned to eliminate duplicates Z: 36 33.304 2.044 0.712 0.750 0.914 0.657 CB 1.408 26 residues pruned to eliminate duplicates Z: 19 34.612 2.169 0.795 0.926 1.000 0.833 CB 1.469 19 residues pruned to eliminate duplicates Z: 15 18.713 1.913 0.460 0.785 1.000 0.786 CB 1.393 21 residues pruned to eliminate duplicates Z: 8 18.374 1.979 0.758 0.733 1.000 0.857 CA 1.619 8 residues pruned to eliminate duplicates Z: 45 57.566 2.237 0.896 0.805 0.932 0.841 CA 1.683 45 residues pruned to eliminate duplicates Z: 28 38.888 2.092 0.906 0.943 0.889 0.519 CB 1.464 28 residues pruned to eliminate duplicates Z: 31 47.402 2.216 0.832 0.930 0.967 0.933 CB 1.543 31 residues pruned to eliminate duplicates Z: 8 8.789 1.847 0.826 0.586 0.714 0.714 CB 1.270 Z: 27 23.964 1.818 0.466 0.848 1.000 0.769 CA 1.308 27 residues pruned to eliminate duplicates Z: 28 40.552 2.095 1.027 0.939 0.889 0.593 CB 1.436 28 residues pruned to eliminate duplicates Z: 16 19.917 1.892 0.439 0.847 0.933 0.800 CB 1.503 16 residues pruned to eliminate duplicates Z: 25 33.831 2.010 0.872 0.892 0.917 0.500 CB 1.438 25 residues pruned to eliminate duplicates Z: 41 29.650 2.105 0.826 0.455 0.900 0.500 CB 1.419 61 residues pruned to eliminate duplicates Z: 22 30.763 2.012 0.768 0.921 0.952 0.762 CB 1.394 22 residues pruned to eliminate duplicates Z: 23 32.978 2.066 0.784 0.918 0.955 0.591 CB 1.409 23 residues pruned to eliminate duplicates Z: 7 5.815 1.843 0.316 0.670 1.000 1.000 CB 0.837 7 residues pruned to eliminate duplicates Z: 23 25.813 2.045 0.228 0.915 1.000 0.955 CB 1.549 23 residues pruned to eliminate duplicates Z: 18 22.416 1.949 0.502 0.867 0.941 0.765 CA 1.443 18 residues pruned to eliminate duplicates Z: 29 59.855 2.169 1.287 0.937 0.964 0.679 CB 1.646 29 residues pruned to eliminate duplicates Z: 28 21.336 2.038 0.750 0.469 0.926 0.333 CB 1.284 27 residues pruned to eliminate duplicates Z: 17 13.132 1.997 0.382 0.490 0.938 0.812 CB 1.281 17 residues pruned to eliminate duplicates Z: 12 7.528 1.942 0.442 0.414 0.818 0.545 CB 1.083 Z: 10 16.432 1.894 0.724 0.885 0.889 0.778 CB 1.362 Z: 9 11.699 1.708 0.229 0.858 1.000 0.875 CB 1.450 9 residues pruned to eliminate duplicates Z: 8 4.007 1.573 0.911 0.541 0.857 0.571 CB 0.565 Z: 12 26.619 2.006 1.060 0.908 1.000 0.727 CB 1.379 12 residues pruned to eliminate duplicates Z: 18 19.938 1.829 0.624 0.933 0.882 0.647 CB 1.287 18 residues pruned to eliminate duplicates Z: 6 2.473 1.528 0.612 0.293 0.600 0.400 CB 0.944 Z: 16 9.854 1.860 0.486 0.512 0.867 0.667 CB 1.050 9 residues pruned to eliminate duplicates Z: 40 46.629 2.109 1.024 0.840 0.897 0.538 CB 1.455 40 residues pruned to eliminate duplicates Z: 11 19.997 1.990 0.879 0.892 0.900 0.700 CB 1.350 11 residues pruned to eliminate duplicates Z: 15 27.435 2.016 0.621 0.935 1.000 0.714 CB 1.564 15 residues pruned to eliminate duplicates Z: 7 3.199 1.659 0.083 0.458 0.667 0.500 CA 1.138 Z: 11 28.716 2.040 1.140 0.920 1.000 0.900 CB 1.465 11 residues pruned to eliminate duplicates Z: 8 4.911 1.591 0.734 0.288 0.714 0.429 N 1.195 Z: 17 26.480 1.981 0.650 0.896 1.000 0.875 CA 1.450 17 residues pruned to eliminate duplicates Z: 16 33.323 2.123 1.009 0.847 0.933 0.733 CB 1.605 16 residues pruned to eliminate duplicates Z: 15 23.538 1.915 0.633 0.885 1.000 0.929 CA 1.453 15 residues pruned to eliminate duplicates Z: 11 23.696 1.961 0.859 0.909 1.000 0.800 CA 1.459 11 residues pruned to eliminate duplicates Z: 16 21.903 1.929 0.609 0.908 0.933 0.867 CB 1.387 16 residues pruned to eliminate duplicates Z: 16 24.192 1.859 0.786 0.870 0.933 0.667 CB 1.472 16 residues pruned to eliminate duplicates Z: 8 11.632 1.737 0.635 0.800 0.857 0.714 CA 1.389 8 residues pruned to eliminate duplicates Z: 34 39.869 2.007 0.767 0.833 0.939 0.697 CA 1.563 34 residues pruned to eliminate duplicates Z: 15 31.124 2.159 0.825 0.867 0.929 0.857 CA 1.663 15 residues pruned to eliminate duplicates Z: 9 17.388 1.781 0.617 0.866 1.000 0.875 CB 1.563 9 residues pruned to eliminate duplicates Z: 12 20.444 1.925 0.446 0.892 0.909 0.364 CB 1.751 12 residues pruned to eliminate duplicates Z: 7 4.029 1.748 0.356 0.543 0.833 0.500 CB 0.798 7 residues pruned to eliminate duplicates Z: 28 26.942 2.019 0.634 0.668 0.963 0.630 CB 1.397 7 residues pruned to eliminate duplicates Z: 25 35.795 1.987 0.774 0.906 1.000 0.708 CB 1.475 25 residues pruned to eliminate duplicates Z: 10 15.017 2.026 0.382 0.816 0.889 0.556 CA 1.529 10 residues pruned to eliminate duplicates Z: 6 15.389 2.168 0.598 0.852 1.000 0.400 CB 1.469 6 residues pruned to eliminate duplicates Z: 27 27.655 1.951 0.778 0.681 0.923 0.692 CB 1.434 29 residues pruned to eliminate duplicates Z: 7 8.720 1.794 0.355 0.693 0.833 0.500 N 1.473 7 residues pruned to eliminate duplicates Z: 20 18.449 1.602 0.462 0.925 0.947 0.579 CB 1.339 Z: 29 50.605 2.134 1.032 0.922 1.000 0.786 CB 1.551 29 residues pruned to eliminate duplicates Z: 30 33.809 2.014 0.823 0.856 0.862 0.345 CB 1.462 30 residues pruned to eliminate duplicates Z: 38 29.503 2.056 0.631 0.629 0.919 0.541 CB 1.393 38 residues pruned to eliminate duplicates Z: 15 25.984 1.980 0.875 0.919 0.929 0.571 CB 1.419 15 residues pruned to eliminate duplicates Z: 9 17.632 2.105 0.655 0.563 1.000 0.625 CA 1.683 9 residues pruned to eliminate duplicates Z: 22 20.203 2.066 0.682 0.379 0.857 0.571 CB 1.684 22 residues pruned to eliminate duplicates Z: 53 33.583 1.991 0.662 0.640 0.904 0.596 CB 1.366 51 residues pruned to eliminate duplicates Z: 12 27.263 2.013 1.018 0.897 1.000 0.727 CB 1.448 12 residues pruned to eliminate duplicates Z: 16 24.605 2.055 0.544 0.896 0.867 0.667 CA 1.655 16 residues pruned to eliminate duplicates Z: 11 11.741 1.476 0.480 0.909 1.000 0.800 CA 1.207 11 residues pruned to eliminate duplicates Z: 10 6.229 1.437 0.222 0.744 0.889 0.333 CB 1.069 10 residues pruned to eliminate duplicates Z: 10 15.558 1.996 0.512 0.910 0.889 0.444 CB 1.371 10 residues pruned to eliminate duplicates Z: 14 14.542 1.821 0.190 0.858 1.000 0.769 CA 1.371 14 residues pruned to eliminate duplicates Z: 37 52.472 2.227 0.807 0.780 1.000 0.806 CB 1.698 37 residues pruned to eliminate duplicates Z: 11 12.071 1.759 0.685 0.776 1.000 0.800 CB 1.009 11 residues pruned to eliminate duplicates Z: 26 23.385 1.864 0.378 0.889 1.000 0.800 CA 1.311 26 residues pruned to eliminate duplicates Z: 16 7.330 1.770 0.557 0.237 0.800 0.467 CB 1.165 15 residues pruned to eliminate duplicates Z: 12 16.128 1.678 0.700 0.921 1.000 0.909 CB 1.200 11 residues pruned to eliminate duplicates Z: 7 2.152 1.540 -0.127 0.248 1.000 0.333 O 0.873 7 residues pruned to eliminate duplicates Z: 33 16.202 1.888 0.494 0.483 0.844 0.531 CB 1.224 33 residues pruned to eliminate duplicates Z: 23 20.432 2.057 0.724 0.439 0.864 0.409 CB 1.514 23 residues pruned to eliminate duplicates Z: 41 18.764 1.901 0.521 0.523 0.850 0.625 CB 1.180 37 residues pruned to eliminate duplicates Z: 16 21.694 1.879 0.655 0.859 0.933 0.600 CB 1.421 16 residues pruned to eliminate duplicates Z: 9 12.250 1.610 0.979 0.810 1.000 0.875 CB 1.037 9 residues pruned to eliminate duplicates Z: 21 25.106 1.810 0.774 0.848 0.950 0.500 CB 1.365 21 residues pruned to eliminate duplicates Z: 17 26.826 2.016 0.701 0.855 0.938 0.625 CA 1.539 17 residues pruned to eliminate duplicates Z: 10 6.288 1.592 0.076 0.474 0.889 0.556 O 1.414 10 residues pruned to eliminate duplicates Z: 23 17.013 1.675 0.755 0.805 0.818 0.636 CB 1.155 12 residues pruned to eliminate duplicates Z: 6 8.807 1.901 0.711 0.475 1.000 0.600 CA 1.241 Z: 16 19.388 1.975 0.502 0.794 0.933 0.733 CB 1.397 16 residues pruned to eliminate duplicates Z: 14 18.807 1.927 0.291 0.922 1.000 1.000 CA 1.475 14 residues pruned to eliminate duplicates Z: 13 25.046 1.968 0.816 0.926 1.000 0.917 CA 1.419 13 residues pruned to eliminate duplicates Z: 16 20.320 1.666 0.741 0.917 1.000 0.800 CB 1.277 18 residues pruned to eliminate duplicates Z: 12 14.468 1.828 0.373 0.901 1.000 1.000 CA 1.241 12 residues pruned to eliminate duplicates Z: 6 5.624 1.593 0.555 0.746 1.000 0.400 CB 0.815 5 residues pruned to eliminate duplicates Z: 16 18.455 1.910 0.487 0.909 1.000 0.933 CB 1.190 15 residues pruned to eliminate duplicates Z: 15 19.938 1.879 0.584 0.903 0.929 0.714 CB 1.375 15 residues pruned to eliminate duplicates Z: 9 7.593 1.708 0.073 0.886 1.000 0.625 CB 1.057 9 residues pruned to eliminate duplicates Z: 31 33.771 1.925 0.535 0.911 1.000 0.733 CA 1.478 31 residues pruned to eliminate duplicates Z: 13 12.580 1.695 0.172 0.903 1.000 0.917 CB 1.303 13 residues pruned to eliminate duplicates Z: 11 11.104 1.873 0.215 0.828 0.900 0.700 CA 1.291 11 residues pruned to eliminate duplicates Z: 18 24.086 1.816 0.773 0.866 0.941 0.647 CB 1.411 18 residues pruned to eliminate duplicates Z: 12 9.184 2.023 0.471 0.401 0.909 0.545 CB 1.136 12 residues pruned to eliminate duplicates Z: 23 28.435 2.001 0.678 0.890 0.909 0.545 CB 1.428 23 residues pruned to eliminate duplicates 7 1.943 1.389 -0.044 0.417 1.000 0.667 CB 0.651 ? Z: 30 54.084 2.143 1.024 0.946 1.000 0.862 CA 1.601 30 residues pruned to eliminate duplicates Z: 12 17.663 2.142 0.299 0.859 1.000 0.909 CA 1.408 12 residues pruned to eliminate duplicates Z: 17 20.458 1.918 0.387 0.831 0.938 0.750 CA 1.541 17 residues pruned to eliminate duplicates Z: 13 21.615 1.872 0.554 0.909 1.000 0.750 CB 1.523 13 residues pruned to eliminate duplicates Z: 8 15.343 2.004 0.520 0.800 1.000 0.857 CB 1.465 8 residues pruned to eliminate duplicates Z: 72 32.158 2.002 0.656 0.498 0.930 0.549 CB 1.242 72 residues pruned to eliminate duplicates Z: 23 27.782 1.978 0.600 0.897 0.909 0.682 CB 1.473 23 residues pruned to eliminate duplicates Z: 8 15.548 1.792 0.850 0.883 1.000 0.571 CA 1.281 8 residues pruned to eliminate duplicates Z: 7 5.286 1.582 0.447 0.696 0.667 0.333 CB 1.183 7 residues pruned to eliminate duplicates Z: 25 23.511 1.928 0.464 0.862 0.875 0.750 CB 1.427 25 residues pruned to eliminate duplicates Z: 7 2.754 1.674 -0.383 0.500 1.000 0.833 CB 1.090 7 residues pruned to eliminate duplicates Z: 46 48.404 2.249 0.618 0.809 0.956 0.844 CB 1.586 46 residues pruned to eliminate duplicates Z: 37 52.751 2.231 1.000 0.775 0.944 0.833 CA 1.636 37 residues pruned to eliminate duplicates Z: 10 18.832 2.123 0.332 0.848 1.000 0.778 CA 1.647 10 residues pruned to eliminate duplicates Z: 43 27.841 2.015 0.581 0.557 0.929 0.476 CB 1.374 43 residues pruned to eliminate duplicates Z: 29 41.006 2.014 0.754 0.908 1.000 0.929 CB 1.558 29 residues pruned to eliminate duplicates Z: 13 24.402 2.037 0.489 0.928 1.000 0.833 CA 1.626 13 residues pruned to eliminate duplicates Z: 35 24.162 1.958 0.702 0.608 0.853 0.500 CB 1.317 36 residues pruned to eliminate duplicates Z: 15 17.779 1.721 0.641 0.923 0.929 0.786 CB 1.272 15 residues pruned to eliminate duplicates Z: 15 22.055 1.863 0.415 0.875 1.000 0.643 CB 1.627 17 residues pruned to eliminate duplicates Z: 13 17.177 1.791 0.888 0.900 0.750 0.583 CB 1.396 13 residues pruned to eliminate duplicates Z: 13 28.083 2.231 0.615 0.880 1.000 0.917 CB 1.630 13 residues pruned to eliminate duplicates Z: 12 27.227 2.160 0.774 0.898 1.000 0.364 CB 1.533 12 residues pruned to eliminate duplicates Z: 36 30.586 2.073 0.649 0.576 0.943 0.543 CB 1.490 43 residues pruned to eliminate duplicates Z: 31 29.243 1.916 0.414 0.918 0.967 0.867 CA 1.437 31 residues pruned to eliminate duplicates Z: 12 16.489 1.873 0.416 0.802 1.000 0.545 CA 1.439 12 residues pruned to eliminate duplicates Z: 22 23.114 2.242 0.865 0.482 0.810 0.524 CB 1.518 21 residues pruned to eliminate duplicates Z: 6 9.725 1.795 0.374 0.840 1.000 0.800 CA 1.317 Z: 6 9.902 2.100 0.390 0.815 1.000 0.800 CB 1.153 6 residues pruned to eliminate duplicates Z: 15 21.708 1.953 0.653 0.888 0.929 0.786 CB 1.394 15 residues pruned to eliminate duplicates Z: 10 4.645 1.627 0.213 0.467 0.889 0.556 CA 0.913 10 residues pruned to eliminate duplicates Z: 11 11.168 2.047 0.541 0.507 0.700 0.600 CB 1.589 11 residues pruned to eliminate duplicates Z: 9 14.493 1.798 0.517 0.826 1.000 0.875 CB 1.416 10 residues pruned to eliminate duplicates Z: 9 9.011 1.936 0.375 0.682 0.875 0.750 CB 1.157 Z: 12 20.898 2.020 0.533 0.910 1.000 0.636 CB 1.444 12 residues pruned to eliminate duplicates Z: 9 7.293 1.808 0.440 0.595 0.750 0.500 CB 1.205 9 residues pruned to eliminate duplicates Z: 8 12.828 1.805 0.312 0.901 1.000 1.000 CA 1.461 8 residues pruned to eliminate duplicates Z: 9 7.851 1.805 0.207 0.890 1.000 0.875 CB 0.917 9 residues pruned to eliminate duplicates Z: 18 20.548 1.635 0.691 0.916 1.000 0.824 CB 1.273 16 residues pruned to eliminate duplicates Z: 11 14.768 2.237 0.131 0.775 0.900 0.700 CA 1.608 11 residues pruned to eliminate duplicates Z: 17 25.948 1.993 0.616 0.890 0.938 0.938 CB 1.545 17 residues pruned to eliminate duplicates Z: 16 24.834 1.815 0.806 0.901 1.000 0.800 CB 1.397 16 residues pruned to eliminate duplicates Z: 34 27.507 2.139 0.772 0.524 0.818 0.576 CB 1.508 43 residues pruned to eliminate duplicates Z: 20 24.110 2.275 0.765 0.619 0.895 0.737 CB 1.375 20 residues pruned to eliminate duplicates Z: 9 25.134 2.041 1.044 0.911 1.000 0.750 CB 1.511 9 residues pruned to eliminate duplicates Z: 11 14.503 1.739 0.598 0.896 1.000 0.800 CB 1.182 12 residues pruned to eliminate duplicates Z: 11 12.216 1.782 0.652 0.809 0.900 0.900 CB 1.113 11 residues pruned to eliminate duplicates Z: 26 23.208 2.007 0.644 0.675 0.880 0.520 CB 1.360 26 residues pruned to eliminate duplicates Z: 23 30.968 2.167 1.003 0.607 0.864 0.545 CB 1.591 23 residues pruned to eliminate duplicates Z: 8 20.783 2.268 0.531 0.861 1.000 0.714 CB 1.661 9 residues pruned to eliminate duplicates Z: 18 13.802 1.942 0.617 0.438 0.941 0.765 CB 1.207 18 residues pruned to eliminate duplicates Z: 9 8.535 1.932 0.428 0.665 0.875 0.625 CB 1.074 9 residues pruned to eliminate duplicates Z: 10 11.016 1.780 0.378 0.738 1.000 0.667 CB 1.209 10 residues pruned to eliminate duplicates Z: 10 16.913 1.899 0.628 0.881 1.000 0.778 CB 1.321 10 residues pruned to eliminate duplicates Z: 40 30.925 1.980 0.674 0.718 0.897 0.513 CB 1.367 40 residues pruned to eliminate duplicates Z: 11 26.440 1.918 1.059 0.886 1.000 0.500 CB 1.527 11 residues pruned to eliminate duplicates Z: 9 7.721 1.824 0.716 0.569 1.000 0.750 CB 0.816 Z: 51 29.899 2.133 0.694 0.431 0.900 0.520 CB 1.397 51 residues pruned to eliminate duplicates Z: 6 2.923 1.237 0.603 0.485 0.800 0.600 N 0.836 7 1.872 1.489 0.061 0.553 0.833 0.667 CB 0.552 ? Z: 12 25.735 2.016 0.839 0.904 1.000 1.000 CB 1.490 12 residues pruned to eliminate duplicates Z: 12 20.226 2.084 0.545 0.826 1.000 0.909 CB 1.429 12 residues pruned to eliminate duplicates Z: 33 27.238 2.010 0.585 0.778 0.812 0.625 CB 1.455 33 residues pruned to eliminate duplicates Z: 10 12.601 1.746 0.232 0.893 1.000 0.889 CB 1.401 10 residues pruned to eliminate duplicates Z: 11 19.703 1.906 0.583 0.831 1.000 0.800 CB 1.552 11 residues pruned to eliminate duplicates Z: 30 54.139 2.086 1.364 0.933 0.966 0.517 CB 1.473 30 residues pruned to eliminate duplicates Z: 23 20.505 1.978 0.719 0.553 0.864 0.727 CB 1.415 23 residues pruned to eliminate duplicates Z: 48 45.337 2.178 0.684 0.765 0.915 0.766 CA 1.558 48 residues pruned to eliminate duplicates Z: 15 18.546 1.814 0.788 0.811 0.929 0.429 CB 1.256 15 residues pruned to eliminate duplicates Z: 13 19.228 1.894 0.671 0.895 0.917 0.417 CA 1.372 13 residues pruned to eliminate duplicates Z: 32 46.661 2.142 0.886 0.932 1.000 0.710 CB 1.448 32 residues pruned to eliminate duplicates Z: 7 11.283 1.940 0.153 0.893 1.000 1.000 CA 1.478 7 residues pruned to eliminate duplicates Z: 15 25.898 1.980 0.633 0.900 1.000 0.857 CB 1.530 14 residues pruned to eliminate duplicates Z: 23 27.034 1.963 0.461 0.924 0.955 0.909 CB 1.479 23 residues pruned to eliminate duplicates Z: 6 5.561 1.574 0.435 0.569 0.800 0.600 CB 1.287 Z: 8 8.680 1.623 0.109 0.822 1.000 0.571 CA 1.379 Z: 43 34.348 1.957 0.688 0.712 0.952 0.619 CB 1.390 43 residues pruned to eliminate duplicates Z: 14 22.672 2.008 0.903 0.853 0.846 0.385 CA 1.437 14 residues pruned to eliminate duplicates Z: 30 25.968 2.003 0.705 0.505 0.897 0.483 CB 1.567 30 residues pruned to eliminate duplicates Z: 10 22.876 1.901 0.975 0.892 1.000 0.778 N 1.459 10 residues pruned to eliminate duplicates Z: 18 22.319 1.833 0.719 0.902 0.941 0.824 CB 1.302 18 residues pruned to eliminate duplicates Z: 36 17.597 1.707 0.549 0.654 0.914 0.571 CB 1.066 26 residues pruned to eliminate duplicates Z: 14 14.448 1.824 0.462 0.872 1.000 0.923 CB 1.095 14 residues pruned to eliminate duplicates Z: 24 37.047 2.037 0.998 0.943 0.913 0.565 CB 1.440 24 residues pruned to eliminate duplicates Z: 6 10.409 1.981 0.527 0.871 1.000 1.000 CB 1.122 6 residues pruned to eliminate duplicates Z: 30 46.107 2.046 1.033 0.933 0.966 0.724 CB 1.487 30 residues pruned to eliminate duplicates Z: 17 11.675 1.927 0.537 0.494 0.938 0.625 CB 1.057 18 residues pruned to eliminate duplicates Z: 8 8.137 1.836 0.223 0.823 1.000 0.714 CB 1.035 8 residues pruned to eliminate duplicates Z: 8 2.850 1.601 0.042 0.321 0.714 0.571 CB 1.101 Z: 28 35.710 2.053 1.111 0.932 0.889 0.444 CB 1.246 28 residues pruned to eliminate duplicates Z: 20 20.375 1.804 0.368 0.921 1.000 0.895 CA 1.332 20 residues pruned to eliminate duplicates Z: 38 23.607 2.054 0.816 0.316 0.946 0.486 CB 1.347 36 residues pruned to eliminate duplicates Z: 38 19.631 1.736 0.573 0.724 0.892 0.486 CB 1.083 34 residues pruned to eliminate duplicates Z: 6 3.314 1.548 0.149 0.403 0.800 0.400 CB 1.154 Z: 7 10.475 2.188 0.421 0.573 0.833 0.667 CB 1.537 Z: 18 19.121 1.832 0.283 0.885 1.000 0.824 CA 1.425 18 residues pruned to eliminate duplicates Z: 8 18.858 2.150 0.708 0.827 1.000 0.714 CA 1.462 8 residues pruned to eliminate duplicates Z: 15 18.138 2.235 0.707 0.423 0.857 0.429 CA 1.605 15 residues pruned to eliminate duplicates Z: 12 12.950 1.810 0.715 0.381 1.000 0.818 CB 1.427 Z: 8 7.767 1.790 0.274 0.862 0.857 0.857 CB 1.103 8 residues pruned to eliminate duplicates Z: 30 28.840 2.224 0.629 0.535 0.931 0.655 CB 1.534 30 residues pruned to eliminate duplicates Z: 12 11.019 2.005 0.510 0.457 0.909 0.636 CB 1.262 Z: 17 9.265 1.703 0.440 0.454 0.812 0.562 CB 1.219 16 residues pruned to eliminate duplicates Z: 15 26.429 1.987 0.608 0.904 1.000 0.857 CB 1.574 15 residues pruned to eliminate duplicates 8 1.806 1.492 0.198 0.213 0.714 0.429 CB 0.751 ? Z: 21 20.873 1.835 0.361 0.939 1.000 1.000 CB 1.299 21 residues pruned to eliminate duplicates Z: 14 14.705 1.779 0.719 0.782 0.923 0.385 CB 1.127 14 residues pruned to eliminate duplicates Z: 7 2.606 1.418 0.310 0.246 0.667 0.500 N 1.152 Z: 45 28.389 1.982 0.712 0.569 0.864 0.432 CB 1.366 45 residues pruned to eliminate duplicates Z: 38 26.556 2.035 0.671 0.538 0.892 0.514 CB 1.387 38 residues pruned to eliminate duplicates Z: 7 7.385 1.784 0.448 0.849 1.000 0.500 CB 0.865 7 residues pruned to eliminate duplicates Z: 15 21.214 1.951 0.416 0.924 1.000 0.929 CB 1.441 15 residues pruned to eliminate duplicates Z: 26 29.449 1.956 0.758 0.844 0.880 0.600 CB 1.449 26 residues pruned to eliminate duplicates Z: 40 25.845 2.161 0.733 0.420 0.821 0.615 CB 1.463 47 residues pruned to eliminate duplicates Z: 6 5.952 1.767 0.838 0.473 0.800 0.600 CB 1.053 5 residues pruned to eliminate duplicates Z: 11 16.618 1.765 0.826 0.874 1.000 0.700 CB 1.186 11 residues pruned to eliminate duplicates Z: 16 13.964 1.596 0.572 0.818 0.867 0.733 CB 1.259 16 residues pruned to eliminate duplicates Z: 6 4.462 1.487 0.031 0.788 0.800 0.600 C 1.263 6 residues pruned to eliminate duplicates Z: 11 7.196 1.683 0.402 0.405 0.900 0.500 CB 1.184 11 residues pruned to eliminate duplicates Z: 21 23.537 1.816 0.823 0.928 1.000 0.500 CB 1.114 21 residues pruned to eliminate duplicates Z: 23 32.080 1.929 0.652 0.929 1.000 0.682 CA 1.502 23 residues pruned to eliminate duplicates Z: 16 16.442 1.902 0.594 0.864 0.733 0.533 CB 1.401 16 residues pruned to eliminate duplicates Z: 28 14.548 1.769 0.482 0.581 0.852 0.407 CB 1.160 28 residues pruned to eliminate duplicates Z: 32 26.741 2.159 0.626 0.604 0.839 0.387 CB 1.477 32 residues pruned to eliminate duplicates Z: 8 4.976 1.611 -0.031 0.633 0.857 0.571 N 1.240 Z: 6 4.553 1.692 0.409 0.586 0.800 0.600 CB 0.983 6 residues pruned to eliminate duplicates Z: 6 7.420 1.774 0.734 0.634 0.800 0.600 CA 1.188 6 residues pruned to eliminate duplicates Z: 17 17.766 1.841 0.424 0.834 0.938 0.750 CB 1.355 17 residues pruned to eliminate duplicates Z: 23 46.099 2.190 1.086 0.920 0.955 0.682 CB 1.587 23 residues pruned to eliminate duplicates Z: 8 14.929 1.928 0.500 0.885 0.857 0.857 CA 1.643 8 residues pruned to eliminate duplicates Z: 6 10.328 1.884 0.459 0.840 1.000 0.800 CA 1.253 6 residues pruned to eliminate duplicates Z: 64 53.457 2.256 0.866 0.557 0.905 0.635 CB 1.672 64 residues pruned to eliminate duplicates Z: 42 26.801 2.007 0.642 0.465 0.927 0.561 CB 1.420 36 residues pruned to eliminate duplicates Z: 15 19.716 1.850 0.526 0.832 1.000 0.500 CB 1.401 15 residues pruned to eliminate duplicates Z: 7 4.733 1.520 0.241 0.792 0.833 0.667 CB 0.951 Z: 20 26.200 1.863 0.706 0.927 1.000 0.737 CB 1.325 20 residues pruned to eliminate duplicates Z: 6 2.106 1.483 0.671 0.333 0.600 0.400 CB 0.760 Z: 20 38.754 2.109 1.033 0.891 1.000 0.632 CB 1.490 20 residues pruned to eliminate duplicates Z: 6 3.197 1.726 0.298 0.314 0.800 0.800 CB 0.980 Z: 30 37.821 1.923 0.783 0.888 1.000 0.655 CA 1.476 30 residues pruned to eliminate duplicates Z: 9 14.710 1.892 0.505 0.873 1.000 0.875 CA 1.331 9 residues pruned to eliminate duplicates Z: 10 18.616 1.904 0.762 0.856 1.000 0.889 CA 1.364 10 residues pruned to eliminate duplicates Z: 33 39.190 2.209 1.162 0.592 0.906 0.500 CB 1.465 33 residues pruned to eliminate duplicates Z: 13 13.807 1.870 0.264 0.839 1.000 0.583 CB 1.260 13 residues pruned to eliminate duplicates Z: 19 15.092 1.599 0.416 0.873 1.000 0.889 CA 1.144 19 residues pruned to eliminate duplicates Z: 25 26.682 1.928 0.432 0.874 0.958 0.833 CA 1.498 25 residues pruned to eliminate duplicates Z: 23 37.136 2.028 0.888 0.940 0.909 0.409 CB 1.580 23 residues pruned to eliminate duplicates Z: 58 40.865 2.196 0.795 0.434 0.930 0.579 CA 1.580 58 residues pruned to eliminate duplicates Z: 10 16.837 1.851 0.676 0.845 0.889 0.444 CB 1.513 10 residues pruned to eliminate duplicates Z: 9 5.646 1.714 0.037 0.451 1.000 0.625 CB 1.180 Z: 6 2.814 1.228 0.771 0.373 0.800 0.600 N 0.828 Z: 8 4.308 1.749 0.227 0.447 0.857 0.571 CB 0.934 Z: 11 13.020 1.776 0.748 0.901 0.800 0.400 CB 1.184 11 residues pruned to eliminate duplicates Z: 63 27.432 1.970 0.661 0.516 0.887 0.500 CB 1.181 63 residues pruned to eliminate duplicates Z: 22 47.154 2.190 1.254 0.928 0.952 0.810 CA 1.532 22 residues pruned to eliminate duplicates Z: 21 27.884 1.874 0.696 0.936 1.000 0.800 CB 1.366 21 residues pruned to eliminate duplicates Z: 7 5.705 1.611 0.561 0.430 1.000 0.500 N 0.997 Z: 44 29.819 2.002 0.785 0.596 0.907 0.581 CB 1.279 44 residues pruned to eliminate duplicates Z: 23 29.925 2.013 0.728 0.916 0.909 0.818 CB 1.425 23 residues pruned to eliminate duplicates Z: 15 15.942 1.764 0.413 0.911 0.857 0.786 CA 1.413 16 residues pruned to eliminate duplicates Z: 17 20.322 1.915 0.491 0.888 0.938 0.688 CB 1.367 17 residues pruned to eliminate duplicates Z: 34 13.450 1.910 0.456 0.322 0.788 0.606 CB 1.300 24 residues pruned to eliminate duplicates Z: 11 11.507 1.726 0.527 0.807 0.900 0.800 CB 1.174 Z: 16 21.828 1.888 0.606 0.917 1.000 0.933 CB 1.312 16 residues pruned to eliminate duplicates Z: 13 20.026 2.025 0.689 0.867 0.917 0.750 CA 1.349 13 residues pruned to eliminate duplicates Z: 31 13.334 1.819 0.406 0.461 0.800 0.600 CB 1.239 31 residues pruned to eliminate duplicates Z: 56 29.312 1.946 0.585 0.536 0.927 0.618 CB 1.333 56 residues pruned to eliminate duplicates Z: 26 15.715 1.689 0.756 0.471 0.800 0.600 CB 1.364 10 residues pruned to eliminate duplicates Z: 10 3.536 1.734 0.315 0.283 0.778 0.667 CB 0.849 10 residues pruned to eliminate duplicates Z: 8 16.879 2.178 0.855 0.791 1.000 0.857 CA 1.223 8 residues pruned to eliminate duplicates Z: 9 4.961 1.678 0.169 0.525 0.875 0.625 CB 0.996 9 residues pruned to eliminate duplicates Z: 30 30.163 2.053 0.844 0.629 0.931 0.690 CB 1.407 30 residues pruned to eliminate duplicates Z: 9 15.137 1.968 0.353 0.815 1.000 0.625 CB 1.528 10 residues pruned to eliminate duplicates Z: 15 27.490 2.287 0.586 0.767 0.929 0.786 CA 1.722 15 residues pruned to eliminate duplicates Z: 6 7.171 1.833 0.215 0.696 0.800 0.400 O 1.505 6 residues pruned to eliminate duplicates Z: 7 3.063 1.686 0.160 0.404 0.667 0.333 CB 1.061 Z: 10 7.494 1.574 0.382 0.781 0.889 0.556 CB 1.008 10 residues pruned to eliminate duplicates Z: 20 34.181 2.054 0.854 0.941 1.000 0.579 CB 1.428 20 residues pruned to eliminate duplicates Z: 9 16.447 2.097 0.832 0.876 1.000 0.750 CB 1.100 9 residues pruned to eliminate duplicates Z: 22 22.913 1.777 0.649 0.904 1.000 0.857 CB 1.215 22 residues pruned to eliminate duplicates Z: 12 21.247 1.919 0.734 0.907 1.000 0.727 CB 1.368 12 residues pruned to eliminate duplicates Z: 6 7.071 1.763 0.721 0.515 1.000 0.800 CA 1.027 4 residues pruned to eliminate duplicates Z: 11 15.131 1.746 0.448 0.908 1.000 0.900 CB 1.344 11 residues pruned to eliminate duplicates Z: 25 14.142 1.809 0.810 0.411 0.833 0.625 CB 1.162 43 residues pruned to eliminate duplicates Z: 10 14.756 1.827 0.664 0.920 1.000 1.000 CB 1.140 10 residues pruned to eliminate duplicates Z: 7 13.391 1.943 0.687 0.640 1.000 0.667 CB 1.463 6 residues pruned to eliminate duplicates Z: 40 34.416 2.160 0.764 0.607 0.872 0.590 CB 1.499 46 residues pruned to eliminate duplicates Z: 8 2.434 1.499 0.251 0.231 0.571 0.286 CB 1.175 Z: 30 21.431 2.041 0.658 0.512 0.862 0.448 CB 1.347 30 residues pruned to eliminate duplicates Z: 9 16.900 2.005 0.573 0.869 1.000 0.875 CB 1.384 9 residues pruned to eliminate duplicates Z: 30 37.158 2.031 0.826 0.938 1.000 0.897 CA 1.294 30 residues pruned to eliminate duplicates Z: 8 2.230 1.759 0.041 0.363 0.857 0.286 CB 0.622 Z: 20 18.411 2.213 0.710 0.393 0.842 0.526 CB 1.485 20 residues pruned to eliminate duplicates Z: 9 14.475 2.037 0.295 0.810 1.000 0.875 CA 1.481 9 residues pruned to eliminate duplicates Z: 17 25.909 1.987 0.569 0.870 0.938 0.750 CA 1.617 17 residues pruned to eliminate duplicates Z: 28 28.660 1.942 0.432 0.919 0.926 0.704 CB 1.509 28 residues pruned to eliminate duplicates Z: 38 29.973 2.208 0.657 0.454 0.865 0.486 CB 1.631 38 residues pruned to eliminate duplicates Z: 15 29.297 2.172 0.601 0.920 0.929 0.857 CA 1.707 15 residues pruned to eliminate duplicates Z: 29 20.858 1.737 0.676 0.710 1.000 0.536 CB 1.119 29 residues pruned to eliminate duplicates Z: 28 34.734 1.970 0.560 0.920 1.000 0.852 CA 1.532 28 residues pruned to eliminate duplicates Z: 7 20.810 2.222 0.708 0.852 1.000 0.667 CA 1.655 7 residues pruned to eliminate duplicates Z: 12 17.038 1.757 0.587 0.898 1.000 0.909 CB 1.318 11 residues pruned to eliminate duplicates Z: 14 5.320 1.737 0.506 0.270 0.692 0.462 CB 1.058 Z: 16 28.009 2.167 0.468 0.874 1.000 1.000 CA 1.654 16 residues pruned to eliminate duplicates Z: 8 2.292 1.214 0.315 0.293 0.857 0.429 CA 0.799 Z: 10 9.600 1.713 0.614 0.708 0.667 0.667 N 1.438 8 residues pruned to eliminate duplicates Z: 17 21.925 1.827 0.514 0.895 1.000 0.938 CA 1.421 17 residues pruned to eliminate duplicates Z: 30 33.071 2.070 0.979 0.595 0.931 0.586 CB 1.471 30 residues pruned to eliminate duplicates Z: 10 10.821 1.684 0.668 0.654 0.778 0.444 CA 1.430 10 residues pruned to eliminate duplicates Z: 16 16.689 1.654 0.490 0.931 1.000 0.867 CB 1.222 15 residues pruned to eliminate duplicates Z: 12 8.296 1.719 0.369 0.402 1.000 0.727 CB 1.178 11 residues pruned to eliminate duplicates Z: 53 30.003 2.194 0.702 0.475 0.846 0.442 CB 1.351 53 residues pruned to eliminate duplicates Z: 17 31.412 2.051 0.801 0.898 1.000 0.812 CA 1.521 17 residues pruned to eliminate duplicates Z: 24 25.901 2.102 0.801 0.553 0.913 0.696 CB 1.483 24 residues pruned to eliminate duplicates Z: 11 11.661 1.616 0.409 0.848 1.000 0.700 CB 1.201 11 residues pruned to eliminate duplicates Z: 30 33.412 1.911 0.761 0.880 0.966 0.310 CB 1.384 30 residues pruned to eliminate duplicates Z: 29 43.081 1.981 1.018 0.924 1.000 0.607 CB 1.430 29 residues pruned to eliminate duplicates Z: 18 11.643 1.695 0.691 0.482 0.882 0.588 CB 1.137 19 residues pruned to eliminate duplicates Z: 11 9.136 1.843 0.573 0.758 0.900 0.600 CB 0.880 11 residues pruned to eliminate duplicates Z: 32 44.705 2.227 0.645 0.871 0.968 0.806 CA 1.653 32 residues pruned to eliminate duplicates Z: 72 42.589 2.022 0.743 0.646 0.901 0.592 CB 1.388 67 residues pruned to eliminate duplicates Z: 18 18.130 1.608 0.626 0.923 1.000 0.824 CB 1.182 18 residues pruned to eliminate duplicates Z: 34 22.440 2.033 0.540 0.576 0.788 0.576 CB 1.472 34 residues pruned to eliminate duplicates Z: 16 21.596 1.902 0.921 0.837 0.933 0.667 CB 1.223 42 residues pruned to eliminate duplicates Z: 54 41.015 2.079 0.650 0.735 0.906 0.566 CB 1.469 54 residues pruned to eliminate duplicates Z: 13 5.989 2.005 0.500 0.292 0.583 0.333 CB 1.244 13 residues pruned to eliminate duplicates Z: 22 11.803 1.863 0.526 0.481 0.810 0.619 CB 1.140 22 residues pruned to eliminate duplicates 6 1.490 1.389 0.052 0.345 0.600 0.400 N 0.900 ? Z: 28 22.354 1.866 0.486 0.697 0.889 0.667 CA 1.459 27 residues pruned to eliminate duplicates Z: 29 20.064 1.858 0.372 0.663 0.929 0.607 CB 1.378 28 residues pruned to eliminate duplicates Z: 37 26.728 1.972 0.891 0.590 0.889 0.528 CB 1.233 37 residues pruned to eliminate duplicates Z: 17 17.075 1.606 0.562 0.925 1.000 0.625 CB 1.194 17 residues pruned to eliminate duplicates Z: 29 18.406 2.049 0.628 0.495 0.821 0.571 CB 1.276 29 residues pruned to eliminate duplicates Z: 11 12.053 1.734 0.286 0.829 1.000 0.600 CB 1.286 11 residues pruned to eliminate duplicates Z: 13 13.829 1.805 0.342 0.927 1.000 1.000 CB 1.154 13 residues pruned to eliminate duplicates Z: 16 8.630 1.735 0.438 0.464 0.867 0.533 CB 1.069 16 residues pruned to eliminate duplicates Z: 13 19.888 1.865 0.473 0.929 1.000 0.917 CB 1.462 13 residues pruned to eliminate duplicates Z: 30 31.080 1.914 0.827 0.876 0.862 0.483 CB 1.391 30 residues pruned to eliminate duplicates Z: 17 16.533 1.632 0.590 0.902 0.938 0.562 CB 1.212 17 residues pruned to eliminate duplicates Z: 12 13.832 1.725 0.380 0.906 1.000 1.000 CB 1.247 12 residues pruned to eliminate duplicates Z: 6 9.626 1.788 0.398 0.840 1.000 1.000 CA 1.286 6 residues pruned to eliminate duplicates Z: 11 17.469 1.725 0.652 0.868 1.000 0.700 CB 1.418 11 residues pruned to eliminate duplicates Z: 15 25.810 2.050 0.750 0.799 0.929 0.571 CB 1.594 15 residues pruned to eliminate duplicates Z: 7 15.180 1.830 0.811 0.857 1.000 0.667 CB 1.378 7 residues pruned to eliminate duplicates Z: 18 9.136 1.541 0.267 0.610 0.882 0.471 CB 1.159 9 residues pruned to eliminate duplicates Z: 12 10.635 1.853 0.389 0.515 0.909 0.727 CB 1.350 12 residues pruned to eliminate duplicates Z: 12 6.347 1.729 0.267 0.494 0.818 0.455 CB 1.073 12 residues pruned to eliminate duplicates Z: 13 16.907 1.939 0.342 0.918 1.000 0.833 CB 1.324 13 residues pruned to eliminate duplicates 7 0.827 1.556 0.435 0.237 0.500 0.333 CB 0.411 ? Z: 20 21.425 1.898 0.644 0.799 0.842 0.632 CA 1.440 21 residues pruned to eliminate duplicates Z: 42 50.086 2.169 0.909 0.738 0.927 0.707 CB 1.647 42 residues pruned to eliminate duplicates Z: 17 18.781 2.119 0.741 0.620 0.812 0.562 CB 1.398 17 residues pruned to eliminate duplicates Z: 18 7.376 1.633 0.177 0.495 0.882 0.588 CB 1.060 8 residues pruned to eliminate duplicates Z: 6 4.343 1.552 0.446 0.493 0.800 0.800 CA 1.089 Z: 18 20.560 1.919 0.568 0.915 0.882 0.647 CB 1.327 18 residues pruned to eliminate duplicates Z: 12 12.630 2.089 0.466 0.519 0.818 0.545 CA 1.492 12 residues pruned to eliminate duplicates Z: 49 35.581 2.203 0.724 0.511 0.875 0.521 CB 1.528 49 residues pruned to eliminate duplicates Z: 10 3.095 1.583 0.269 0.357 0.667 0.333 CB 0.898 7 residues pruned to eliminate duplicates Z: 12 38.863 2.207 1.454 0.940 1.000 0.818 CB 1.502 12 residues pruned to eliminate duplicates Z: 17 23.484 1.922 0.506 0.920 0.938 0.875 CB 1.523 15 residues pruned to eliminate duplicates Z: 7 15.854 1.872 0.568 0.886 1.000 1.000 CB 1.591 7 residues pruned to eliminate duplicates Z: 7 2.553 1.729 0.470 0.253 0.500 0.500 CB 1.090 5 residues pruned to eliminate duplicates Z: 67 59.082 2.160 0.993 0.685 0.909 0.667 CA 1.568 67 residues pruned to eliminate duplicates Z: 8 6.118 2.034 0.117 0.641 0.857 0.714 CB 1.041 8 residues pruned to eliminate duplicates Z: 8 4.697 1.438 0.312 0.518 0.857 0.714 N 1.079 Z: 11 18.393 1.762 0.806 0.859 1.000 0.900 CA 1.345 11 residues pruned to eliminate duplicates Z: 43 21.979 2.085 0.569 0.342 0.905 0.381 CB 1.360 43 residues pruned to eliminate duplicates Z: 9 6.264 1.868 0.200 0.447 0.750 0.750 CB 1.391 6 residues pruned to eliminate duplicates Z: 32 11.463 1.873 0.337 0.499 0.839 0.581 CB 0.981 32 residues pruned to eliminate duplicates Z: 7 8.306 1.569 0.385 0.853 1.000 0.833 CB 1.153 Z: 9 2.989 1.423 0.063 0.273 0.875 0.500 CB 1.034 Z: 13 13.393 1.714 0.178 0.908 1.000 0.917 CB 1.359 13 residues pruned to eliminate duplicates Z: 6 7.335 1.586 0.605 0.781 1.000 0.400 O 1.007 6 residues pruned to eliminate duplicates Z: 6 2.940 1.445 0.294 0.482 0.600 0.600 N 1.193 5 residues pruned to eliminate duplicates Z: 15 7.679 1.786 0.382 0.481 0.786 0.500 CB 1.079 15 residues pruned to eliminate duplicates Z: 12 8.639 1.707 0.671 0.678 0.727 0.273 CB 1.066 12 residues pruned to eliminate duplicates Z: 15 22.451 1.878 0.560 0.917 1.000 0.786 CA 1.446 15 residues pruned to eliminate duplicates Z: 22 22.756 1.964 0.597 0.752 0.905 0.714 CB 1.398 22 residues pruned to eliminate duplicates Z: 9 3.544 1.692 0.620 0.315 0.500 0.250 CB 1.122 Z: 37 38.849 2.075 0.976 0.710 0.861 0.778 CA 1.516 37 residues pruned to eliminate duplicates Z: 44 54.128 2.112 1.019 0.856 0.930 0.512 CB 1.535 45 residues pruned to eliminate duplicates Z: 18 7.301 1.625 0.372 0.400 0.882 0.529 CB 1.000 18 residues pruned to eliminate duplicates Z: 8 14.451 1.866 0.447 0.814 1.000 0.857 CB 1.540 8 residues pruned to eliminate duplicates Z: 6 2.176 1.507 0.582 0.100 0.600 0.200 C 1.134 Z: 6 3.400 1.367 0.264 0.447 0.800 0.400 O 1.162 6 residues pruned to eliminate duplicates Z: 6 9.344 1.960 0.158 0.888 1.000 1.000 CB 1.326 6 residues pruned to eliminate duplicates Z: 32 24.670 1.941 0.633 0.633 0.935 0.677 CB 1.320 32 residues pruned to eliminate duplicates Z: 13 22.307 1.945 0.762 0.898 1.000 0.833 CB 1.345 13 residues pruned to eliminate duplicates Z: 6 7.998 1.857 0.632 0.581 0.800 0.600 N 1.364 6 residues pruned to eliminate duplicates Z: 29 24.050 1.923 0.667 0.589 0.929 0.643 CB 1.403 29 residues pruned to eliminate duplicates Z: 6 4.314 1.483 0.167 0.586 1.000 0.600 CB 1.027 Z: 11 23.437 1.872 0.914 0.889 1.000 0.700 CB 1.489 11 residues pruned to eliminate duplicates Z: 63 53.928 2.249 0.806 0.588 0.952 0.726 CB 1.628 63 residues pruned to eliminate duplicates Z: 17 17.707 1.831 0.477 0.864 1.000 0.625 CB 1.200 17 residues pruned to eliminate duplicates Z: 11 8.910 1.579 0.220 0.855 1.000 0.900 CB 1.079 11 residues pruned to eliminate duplicates Z: 10 5.021 1.614 0.270 0.423 0.889 0.556 CB 0.996 10 residues pruned to eliminate duplicates Z: 11 18.781 1.734 0.733 0.926 1.000 0.700 CB 1.386 11 residues pruned to eliminate duplicates Z: 30 28.149 2.174 0.826 0.501 0.862 0.414 CB 1.526 30 residues pruned to eliminate duplicates Z: 77 59.877 2.206 0.971 0.578 0.921 0.605 CB 1.591 78 residues pruned to eliminate duplicates Z: 11 15.502 1.732 0.610 0.924 1.000 0.400 CB 1.235 11 residues pruned to eliminate duplicates Z: 10 9.136 1.915 0.523 0.367 0.889 0.556 CA 1.355 10 residues pruned to eliminate duplicates Z: 13 5.615 1.622 0.284 0.528 0.833 0.750 CB 0.908 Z: 7 8.894 1.585 0.959 0.808 1.000 0.833 CB 0.894 Z: 10 8.772 1.767 0.255 0.880 0.889 0.778 CB 1.075 10 residues pruned to eliminate duplicates Z: 9 3.813 1.637 0.306 0.311 0.625 0.625 CB 1.244 Z: 24 24.749 2.111 0.914 0.548 0.870 0.696 CB 1.402 24 residues pruned to eliminate duplicates Z: 23 32.111 2.043 0.901 0.928 0.909 0.591 CB 1.359 23 residues pruned to eliminate duplicates Z: 9 5.633 1.630 0.763 0.464 1.000 1.000 CB 0.719 9 residues pruned to eliminate duplicates Z: 7 13.039 1.784 0.715 0.871 1.000 1.000 CB 1.269 7 residues pruned to eliminate duplicates Z: 13 5.450 1.689 0.205 0.417 0.833 0.500 CB 1.012 13 residues pruned to eliminate duplicates Z: 28 23.322 1.906 0.616 0.666 0.889 0.630 CB 1.406 Z: 31 20.335 1.957 0.676 0.521 0.867 0.633 CB 1.279 31 residues pruned to eliminate duplicates Z: 23 23.960 1.969 0.471 0.825 0.955 0.818 CB 1.394 23 residues pruned to eliminate duplicates Z: 25 12.228 1.683 0.574 0.319 0.875 0.333 CB 1.314 13 residues pruned to eliminate duplicates Z: 18 13.284 1.905 0.638 0.522 0.824 0.647 CB 1.227 18 residues pruned to eliminate duplicates Z: 25 23.407 1.793 0.437 0.860 1.000 0.708 CB 1.364 25 residues pruned to eliminate duplicates Z: 12 27.295 1.979 0.976 0.916 1.000 0.909 CB 1.486 12 residues pruned to eliminate duplicates Z: 18 16.217 1.713 0.353 0.895 1.000 0.824 CB 1.216 17 residues pruned to eliminate duplicates Z: 9 4.702 1.992 0.301 0.195 0.625 0.375 CB 1.476 8 residues pruned to eliminate duplicates Z: 18 20.862 1.905 0.446 0.864 1.000 0.882 CA 1.347 18 residues pruned to eliminate duplicates Z: 16 26.579 2.009 0.908 0.803 0.867 0.600 CB 1.586 16 residues pruned to eliminate duplicates Z: 28 15.143 1.973 0.720 0.512 0.704 0.259 CB 1.207 28 residues pruned to eliminate duplicates Z: 11 16.641 1.890 0.666 0.801 0.900 0.600 CB 1.427 11 residues pruned to eliminate duplicates Z: 43 55.806 2.163 0.993 0.879 0.952 0.476 CB 1.522 44 residues pruned to eliminate duplicates Z: 29 23.196 2.111 0.668 0.544 0.929 0.714 CB 1.284 29 residues pruned to eliminate duplicates Z: 37 35.530 2.005 0.727 0.739 0.944 0.750 CB 1.462 37 residues pruned to eliminate duplicates Z: 6 2.569 1.382 -0.019 0.562 0.800 0.400 CB 0.997 Z: 11 14.253 1.645 0.820 0.858 1.000 0.700 CB 1.109 11 residues pruned to eliminate duplicates Z: 38 28.464 1.975 0.440 0.740 0.919 0.838 CB 1.445 38 residues pruned to eliminate duplicates Z: 26 12.195 1.871 0.469 0.507 0.800 0.520 CB 1.102 26 residues pruned to eliminate duplicates Z: 7 4.540 1.570 0.264 0.356 0.833 0.333 CB 1.309 Z: 17 13.765 1.848 0.640 0.667 0.812 0.500 CB 1.197 17 residues pruned to eliminate duplicates Z: 19 22.119 1.829 0.842 0.912 0.944 0.722 CB 1.160 19 residues pruned to eliminate duplicates Z: 14 20.859 1.836 0.879 0.863 0.923 0.615 CA 1.332 22 residues pruned to eliminate duplicates Z: 34 38.139 2.143 0.804 0.703 0.939 0.788 CB 1.520 34 residues pruned to eliminate duplicates Z: 8 5.949 1.823 0.382 0.459 0.857 0.571 CB 1.085 8 residues pruned to eliminate duplicates Z: 12 17.144 1.936 0.428 0.877 1.000 0.636 CB 1.357 12 residues pruned to eliminate duplicates Z: 13 14.270 1.827 0.399 0.896 1.000 0.667 CB 1.155 13 residues pruned to eliminate duplicates Z: 9 3.994 1.469 0.307 0.322 0.750 0.375 O 1.192 Z: 16 20.329 1.927 0.650 0.596 1.000 0.800 CA 1.506 16 residues pruned to eliminate duplicates Z: 7 5.198 1.479 0.427 0.817 1.000 0.833 CB 0.764 7 residues pruned to eliminate duplicates Z: 9 4.151 1.536 0.518 0.215 0.750 0.500 CB 1.173 Z: 24 20.303 1.835 0.549 0.577 0.913 0.609 CA 1.515 24 residues pruned to eliminate duplicates Z: 10 10.043 1.475 0.360 0.859 1.000 0.667 CA 1.228 8 residues pruned to eliminate duplicates Z: 11 12.886 1.940 0.863 0.593 0.900 0.200 CB 1.146 11 residues pruned to eliminate duplicates Z: 35 14.037 1.852 0.464 0.434 0.882 0.559 CB 1.078 35 residues pruned to eliminate duplicates Z: 11 28.005 2.033 1.056 0.928 1.000 0.700 CB 1.484 11 residues pruned to eliminate duplicates Z: 14 13.236 1.702 0.349 0.896 1.000 0.846 CB 1.145 14 residues pruned to eliminate duplicates Z: 6 12.091 2.062 1.066 0.770 1.000 0.800 CA 0.999 6 residues pruned to eliminate duplicates Z: 34 31.258 2.164 0.790 0.639 0.879 0.515 CB 1.403 34 residues pruned to eliminate duplicates Z: 45 34.367 2.243 0.661 0.428 0.932 0.568 CB 1.608 45 residues pruned to eliminate duplicates Z: 9 11.495 1.781 0.395 0.905 1.000 1.000 CB 1.164 9 residues pruned to eliminate duplicates 6 1.703 1.420 0.112 0.296 0.600 0.400 O 1.010 ? Z: 59 45.296 2.015 0.853 0.687 0.983 0.534 CB 1.366 59 residues pruned to eliminate duplicates Z: 22 26.700 2.197 0.614 0.585 0.952 0.619 CB 1.590 22 residues pruned to eliminate duplicates Z: 74 36.091 1.950 0.499 0.640 0.945 0.575 CB 1.341 74 residues pruned to eliminate duplicates Z: 12 28.793 2.089 0.942 0.842 1.000 0.455 CA 1.594 12 residues pruned to eliminate duplicates Z: 22 25.577 1.805 0.919 0.921 0.952 0.714 CB 1.191 22 residues pruned to eliminate duplicates Z: 14 17.960 1.883 0.446 0.871 0.923 0.769 CB 1.446 14 residues pruned to eliminate duplicates Z: 7 8.578 1.803 0.534 0.645 1.000 1.000 CA 1.106 7 residues pruned to eliminate duplicates Z: 22 22.523 1.940 0.593 0.634 0.952 0.619 CB 1.472 22 residues pruned to eliminate duplicates Z: 20 32.799 2.058 0.778 0.896 0.947 0.842 CB 1.554 20 residues pruned to eliminate duplicates Z: 23 34.019 2.008 0.903 0.949 0.909 0.636 CB 1.441 23 residues pruned to eliminate duplicates 7 1.880 1.503 0.248 0.387 0.667 0.333 CA 0.692 ? Z: 14 22.229 1.949 0.494 0.884 1.000 0.846 CB 1.530 14 residues pruned to eliminate duplicates Z: 13 16.327 1.730 0.713 0.905 0.917 0.500 CA 1.235 13 residues pruned to eliminate duplicates Z: 7 6.561 1.627 0.375 0.846 1.000 0.833 CB 0.889 6 residues pruned to eliminate duplicates Z: 15 23.150 1.914 0.605 0.893 1.000 0.786 CB 1.446 15 residues pruned to eliminate duplicates Z: 18 20.132 2.197 0.760 0.421 0.882 0.706 CB 1.553 18 residues pruned to eliminate duplicates Z: 8 2.730 1.517 0.343 0.362 0.857 0.429 CB 0.685 Z: 14 23.102 1.953 0.668 0.862 1.000 0.615 CB 1.444 14 residues pruned to eliminate duplicates Z: 12 24.339 1.994 0.813 0.918 1.000 0.909 CB 1.432 12 residues pruned to eliminate duplicates Z: 11 14.480 1.764 0.624 0.916 1.000 0.900 CB 1.129 11 residues pruned to eliminate duplicates 6 1.619 1.545 0.016 0.465 0.600 0.600 CB 0.797 ? Z: 24 15.237 1.992 0.290 0.559 0.913 0.478 CB 1.280 24 residues pruned to eliminate duplicates Z: 17 11.760 1.758 0.487 0.553 0.875 0.625 CB 1.220 22 residues pruned to eliminate duplicates Z: 20 19.014 2.004 0.462 0.715 0.842 0.526 CB 1.455 20 residues pruned to eliminate duplicates 6 1.829 1.772 0.000 0.340 0.600 0.600 CB 0.915 ? Z: 8 15.035 1.870 0.843 0.822 0.857 0.714 CA 1.455 8 residues pruned to eliminate duplicates Z: 22 23.222 1.797 0.690 0.926 1.000 0.857 CB 1.169 22 residues pruned to eliminate duplicates Z: 12 14.183 1.758 0.592 0.893 0.909 0.636 CB 1.207 11 residues pruned to eliminate duplicates Z: 12 15.564 1.795 0.499 0.851 1.000 0.818 CB 1.291 12 residues pruned to eliminate duplicates Z: 7 2.352 1.413 0.788 0.389 0.500 0.333 CB 0.855 Z: 9 11.847 1.724 0.623 0.914 1.000 0.875 CB 1.059 9 residues pruned to eliminate duplicates Z: 25 12.081 1.770 0.265 0.530 0.792 0.583 CB 1.350 25 residues pruned to eliminate duplicates Z: 32 24.286 2.019 0.898 0.475 0.871 0.548 CB 1.341 32 residues pruned to eliminate duplicates Z: 6 3.525 1.463 0.494 0.471 0.600 0.400 N 1.238 6 residues pruned to eliminate duplicates Z: 11 18.845 1.831 0.772 0.837 0.900 0.500 CA 1.527 11 residues pruned to eliminate duplicates Z: 16 30.237 2.055 0.747 0.889 0.933 0.867 CA 1.678 17 residues pruned to eliminate duplicates Z: 17 18.396 1.786 0.584 0.871 0.938 0.688 CB 1.264 17 residues pruned to eliminate duplicates Z: 6 2.911 1.389 0.283 0.625 0.800 0.400 CB 0.811 Z: 10 10.273 1.528 0.443 0.855 1.000 0.778 CB 1.147 11 residues pruned to eliminate duplicates Z: 50 25.241 1.952 0.545 0.483 0.878 0.510 CB 1.386 50 residues pruned to eliminate duplicates Z: 21 21.381 1.836 0.693 0.903 1.000 0.600 CB 1.097 21 residues pruned to eliminate duplicates Z: 19 10.722 1.778 0.413 0.692 0.778 0.222 CB 1.085 19 residues pruned to eliminate duplicates Z: 6 2.502 1.466 0.363 0.479 0.800 0.400 CB 0.715 Z: 16 26.061 1.909 0.698 0.894 1.000 0.867 CB 1.489 16 residues pruned to eliminate duplicates Z: 10 15.508 2.357 0.220 0.789 0.889 0.778 CA 1.568 10 residues pruned to eliminate duplicates Z: 30 47.989 2.004 1.213 0.934 1.000 0.483 CB 1.402 29 residues pruned to eliminate duplicates Z: 17 15.303 2.011 0.640 0.445 0.938 0.812 CB 1.309 17 residues pruned to eliminate duplicates Z: 32 22.445 2.063 0.659 0.573 0.839 0.419 CB 1.309 32 residues pruned to eliminate duplicates Z: 12 14.045 1.725 0.786 0.814 0.909 0.545 CB 1.151 12 residues pruned to eliminate duplicates Z: 8 4.579 1.388 0.237 0.372 1.000 0.286 O 1.155 Z: 12 13.224 1.837 0.588 0.872 0.909 0.727 CB 1.096 14 residues pruned to eliminate duplicates Z: 15 22.073 1.970 0.436 0.908 1.000 0.786 CB 1.481 15 residues pruned to eliminate duplicates Z: 14 4.550 1.602 0.086 0.508 0.846 0.615 CB 0.850 14 residues pruned to eliminate duplicates Z: 14 6.704 1.925 0.522 0.197 0.846 0.462 CB 1.076 14 residues pruned to eliminate duplicates Z: 40 33.973 1.946 0.801 0.711 0.923 0.564 CB 1.388 40 residues pruned to eliminate duplicates Z: 48 21.089 1.893 0.688 0.439 0.894 0.489 CB 1.147 48 residues pruned to eliminate duplicates Z: 12 16.406 1.894 0.538 0.906 1.000 0.727 CB 1.208 12 residues pruned to eliminate duplicates Z: 31 42.103 2.140 0.757 0.927 0.967 0.733 CB 1.482 31 residues pruned to eliminate duplicates 6 1.664 1.389 0.435 0.292 0.600 0.600 CB 0.786 ? Z: 11 4.944 1.580 0.114 0.451 0.900 0.800 CB 1.037 11 residues pruned to eliminate duplicates Z: 11 4.488 1.711 0.006 0.380 0.900 0.500 CB 1.041 Z: 9 2.798 1.558 0.066 0.381 0.750 0.250 CB 0.902 9 residues pruned to eliminate duplicates Z: 15 21.098 1.791 0.769 0.879 0.929 0.786 CB 1.389 15 residues pruned to eliminate duplicates Z: 22 11.553 1.695 0.515 0.441 0.857 0.571 CB 1.218 22 residues pruned to eliminate duplicates Z: 6 14.632 1.934 0.854 0.845 1.000 0.800 CB 1.357 6 residues pruned to eliminate duplicates Z: 11 17.026 1.754 0.659 0.908 1.000 0.900 CB 1.314 11 residues pruned to eliminate duplicates Z: 16 26.134 1.859 0.780 0.892 1.000 0.800 CB 1.465 17 residues pruned to eliminate duplicates Z: 19 18.163 1.867 0.499 0.657 0.944 0.722 CA 1.400 19 residues pruned to eliminate duplicates Z: 65 33.099 1.980 0.692 0.506 0.922 0.562 CB 1.332 66 residues pruned to eliminate duplicates Z: 8 4.551 1.616 -0.004 0.621 0.857 0.714 CB 1.112 8 residues pruned to eliminate duplicates Z: 17 16.438 1.738 0.576 0.877 0.938 0.688 CB 1.162 17 residues pruned to eliminate duplicates Z: 9 4.547 1.683 0.268 0.370 0.875 0.500 CB 0.990 9 residues pruned to eliminate duplicates Z: 12 7.867 1.681 0.217 0.504 1.000 0.727 CB 1.155 12 residues pruned to eliminate duplicates Z: 24 28.679 1.971 0.539 0.901 0.957 0.913 CB 1.471 24 residues pruned to eliminate duplicates Z: 11 17.531 1.719 0.801 0.901 1.000 0.600 CB 1.278 11 residues pruned to eliminate duplicates Z: 14 11.367 1.684 0.458 0.646 0.923 0.538 CB 1.214 14 residues pruned to eliminate duplicates Z: 7 3.378 1.460 0.428 0.298 0.833 0.333 CB 0.994 Z: 8 3.724 1.793 0.103 0.384 0.857 0.429 CB 0.939 Z: 8 11.952 1.842 0.601 0.654 0.857 0.571 CB 1.549 8 residues pruned to eliminate duplicates Z: 15 26.057 2.029 0.687 0.933 0.929 0.643 CB 1.529 15 residues pruned to eliminate duplicates Z: 7 2.534 1.591 0.308 0.527 0.500 0.333 CB 0.968 7 residues pruned to eliminate duplicates Z: 7 3.318 1.761 0.384 0.249 0.667 0.500 CB 1.113 Z: 16 17.597 2.042 0.745 0.536 1.000 0.733 CB 1.231 16 residues pruned to eliminate duplicates Z: 17 12.818 1.879 0.397 0.591 0.812 0.688 CB 1.376 17 residues pruned to eliminate duplicates Z: 6 3.147 1.342 0.391 0.353 1.000 0.400 N 0.884 Z: 7 5.879 1.658 0.043 0.804 1.000 1.000 CB 1.064 Z: 15 15.006 1.876 0.854 0.509 0.929 0.714 CB 1.231 15 residues pruned to eliminate duplicates Z: 16 31.659 2.097 0.883 0.918 0.933 0.800 CA 1.564 16 residues pruned to eliminate duplicates Z: 9 13.626 1.655 0.850 0.767 0.875 0.625 N 1.419 10 residues pruned to eliminate duplicates Z: 25 20.180 1.842 0.810 0.598 0.833 0.625 CB 1.351 25 residues pruned to eliminate duplicates Z: 11 6.431 1.297 0.241 0.804 0.900 0.600 O 1.077 11 residues pruned to eliminate duplicates Z: 27 29.496 1.910 0.689 0.734 0.962 0.692 CB 1.511 35 residues pruned to eliminate duplicates Z: 22 20.534 1.766 0.701 0.814 0.952 0.667 CB 1.192 22 residues pruned to eliminate duplicates Z: 28 35.425 1.971 0.691 0.942 0.963 0.593 CB 1.473 28 residues pruned to eliminate duplicates Z: 7 2.339 1.668 0.679 0.183 0.667 0.333 CB 0.749 Z: 11 17.287 1.832 0.685 0.870 1.000 0.600 CB 1.293 12 residues pruned to eliminate duplicates Z: 49 63.105 2.245 1.071 0.777 0.938 0.771 CA 1.636 49 residues pruned to eliminate duplicates Z: 6 3.051 1.708 0.706 0.274 0.600 0.400 CB 1.008 Z: 6 7.163 2.112 0.226 0.770 1.000 0.600 CB 0.975 6 residues pruned to eliminate duplicates Z: 8 18.512 1.942 0.685 0.865 1.000 0.714 N 1.566 9 residues pruned to eliminate duplicates Z: 16 14.723 1.606 0.469 0.919 0.933 0.800 CA 1.216 16 residues pruned to eliminate duplicates Z: 16 23.290 1.946 0.741 0.860 0.933 0.467 CB 1.398 16 residues pruned to eliminate duplicates Z: 6 8.780 1.738 0.394 0.766 1.000 0.600 CB 1.280 6 residues pruned to eliminate duplicates Z: 8 4.646 1.509 0.263 0.410 0.857 0.571 CB 1.181 Z: 29 31.784 1.962 0.676 0.812 0.929 0.714 CB 1.498 29 residues pruned to eliminate duplicates Z: 6 2.205 1.376 0.088 0.633 0.800 0.800 N 0.727 Z: 22 22.393 2.118 0.473 0.598 0.905 0.476 CB 1.576 22 residues pruned to eliminate duplicates Z: 8 17.211 2.066 0.665 0.822 1.000 0.857 CA 1.430 8 residues pruned to eliminate duplicates Z: 12 8.907 1.847 0.312 0.435 0.909 0.636 CB 1.304 12 residues pruned to eliminate duplicates Z: 13 4.228 1.658 0.724 0.187 0.667 0.583 CB 0.933 13 residues pruned to eliminate duplicates Z: 11 17.887 2.081 0.673 0.872 0.900 0.400 CB 1.316 11 residues pruned to eliminate duplicates Z: 19 12.001 1.804 0.237 0.640 0.833 0.611 CB 1.334 19 residues pruned to eliminate duplicates Z: 17 16.803 1.872 0.426 0.618 1.000 0.812 CA 1.408 17 residues pruned to eliminate duplicates Z: 10 4.685 1.582 0.509 0.391 0.778 0.444 CB 0.944 Z: 15 20.100 1.864 0.745 0.862 0.786 0.429 CA 1.543 15 residues pruned to eliminate duplicates Z: 21 15.982 1.995 0.715 0.373 0.750 0.500 CA 1.595 21 residues pruned to eliminate duplicates Z: 8 16.340 1.782 0.863 0.882 1.000 0.714 CA 1.346 8 residues pruned to eliminate duplicates Z: 9 8.328 1.758 0.184 0.858 0.875 0.875 CB 1.191 9 residues pruned to eliminate duplicates Z: 12 8.559 1.699 0.476 0.479 1.000 0.727 CB 1.051 13 residues pruned to eliminate duplicates Z: 23 32.985 1.967 1.130 0.881 0.909 0.318 CB 1.337 23 residues pruned to eliminate duplicates Z: 12 17.340 1.876 0.458 0.907 1.000 0.909 CA 1.359 12 residues pruned to eliminate duplicates Z: 11 8.723 1.662 0.443 0.875 1.000 0.800 CA 0.836 11 residues pruned to eliminate duplicates Z: 59 59.787 2.220 0.929 0.698 0.983 0.741 CA 1.557 59 residues pruned to eliminate duplicates Z: 8 17.668 1.921 1.164 0.895 1.000 0.714 CB 1.152 8 residues pruned to eliminate duplicates Z: 8 3.823 1.498 0.102 0.440 0.857 0.571 CA 1.087 Z: 7 9.774 1.788 0.746 0.679 0.833 0.667 CA 1.301 7 residues pruned to eliminate duplicates Z: 52 30.830 2.053 0.788 0.514 0.843 0.529 CB 1.376 52 residues pruned to eliminate duplicates Z: 8 2.185 1.570 0.059 0.213 0.714 0.571 CB 0.975 Z: 12 9.291 1.652 0.268 0.857 0.909 0.636 CB 1.084 12 residues pruned to eliminate duplicates Z: 6 6.920 1.875 0.189 0.745 1.000 1.000 CB 1.115 6 residues pruned to eliminate duplicates Z: 20 25.685 1.988 0.773 0.784 0.947 0.895 CB 1.374 20 residues pruned to eliminate duplicates Z: 10 16.387 1.824 0.634 0.821 1.000 0.667 CA 1.387 10 residues pruned to eliminate duplicates Z: 10 3.942 1.714 0.028 0.346 0.778 0.556 CB 1.134 10 residues pruned to eliminate duplicates Z: 9 13.202 1.729 0.317 0.915 1.000 1.000 O 1.449 9 residues pruned to eliminate duplicates Z: 27 25.773 1.953 0.652 0.601 0.962 0.500 CB 1.480 28 residues pruned to eliminate duplicates Z: 41 52.879 2.051 1.124 0.872 0.950 0.375 CB 1.472 39 residues pruned to eliminate duplicates Z: 8 14.525 1.813 0.623 0.856 1.000 1.000 CA 1.377 8 residues pruned to eliminate duplicates Z: 35 16.457 1.727 0.621 0.652 0.794 0.471 CB 1.102 35 residues pruned to eliminate duplicates 7 1.724 1.299 0.336 0.556 0.667 0.333 CB 0.576 ? Z: 24 23.356 1.900 0.253 0.902 1.000 1.000 CB 1.458 24 residues pruned to eliminate duplicates Z: 8 4.248 1.277 0.437 0.499 0.857 0.429 C 1.021 Z: 21 23.159 1.814 0.858 0.916 1.000 0.350 CB 1.085 21 residues pruned to eliminate duplicates Z: 13 14.079 1.803 0.515 0.878 1.000 0.833 CB 1.079 12 residues pruned to eliminate duplicates Z: 6 2.670 1.529 0.278 0.305 0.600 0.400 N 1.265 Z: 29 29.426 1.908 0.704 0.777 0.964 0.643 CB 1.390 29 residues pruned to eliminate duplicates 6 1.838 1.323 0.489 0.411 1.000 0.600 CB 0.458 ? Z: 20 22.530 1.942 0.542 0.763 0.895 0.842 CB 1.527 20 residues pruned to eliminate duplicates 7 1.972 1.324 0.605 0.268 0.500 0.500 CB 0.987 ? Z: 10 8.979 1.503 0.218 0.847 1.000 0.778 CA 1.213 10 residues pruned to eliminate duplicates Z: 7 9.881 1.919 0.389 0.859 1.000 0.833 CB 1.113 7 residues pruned to eliminate duplicates Z: 24 28.197 1.973 0.524 0.881 0.957 0.913 CA 1.480 24 residues pruned to eliminate duplicates Z: 20 6.258 1.528 0.345 0.490 0.789 0.474 CB 0.894 17 residues pruned to eliminate duplicates Z: 10 14.992 1.908 0.718 0.550 0.889 0.889 CA 1.633 10 residues pruned to eliminate duplicates Z: 6 5.697 1.985 0.466 0.666 0.800 0.800 CB 0.938 Z: 15 31.601 2.116 0.744 0.865 1.000 0.571 CB 1.677 17 residues pruned to eliminate duplicates Z: 29 43.212 2.287 1.115 0.693 0.929 0.643 CB 1.524 29 residues pruned to eliminate duplicates Z: 12 20.705 1.961 0.651 0.872 0.909 0.909 CB 1.545 13 residues pruned to eliminate duplicates Z: 6 7.958 1.794 0.368 0.720 1.000 0.800 CA 1.189 Z: 12 24.760 2.144 0.655 0.837 1.000 0.818 CB 1.574 12 residues pruned to eliminate duplicates Z: 14 22.385 1.936 0.599 0.815 0.923 0.538 CB 1.651 14 residues pruned to eliminate duplicates Z: 14 21.554 2.016 0.382 0.865 0.923 0.769 CA 1.704 14 residues pruned to eliminate duplicates Z: 10 14.974 2.102 0.640 0.533 0.889 0.889 CB 1.577 10 residues pruned to eliminate duplicates Z: 16 19.457 1.860 0.284 0.889 1.000 0.867 CB 1.514 16 residues pruned to eliminate duplicates Z: 7 6.577 1.543 -0.027 0.827 1.000 0.833 N 1.348 5 residues pruned to eliminate duplicates Z: 91 68.179 2.261 0.830 0.616 0.944 0.678 CA 1.648 91 residues pruned to eliminate duplicates Z: 30 39.195 1.914 0.991 0.915 0.966 0.414 CB 1.398 30 residues pruned to eliminate duplicates Z: 12 15.532 1.847 0.407 0.861 0.909 0.818 CA 1.456 12 residues pruned to eliminate duplicates Z: 12 14.316 1.878 0.464 0.914 1.000 0.818 CB 1.110 12 residues pruned to eliminate duplicates Z: 30 27.739 1.901 0.709 0.757 0.966 0.483 CB 1.306 30 residues pruned to eliminate duplicates Z: 29 27.138 1.979 0.653 0.644 0.964 0.679 CB 1.421 28 residues pruned to eliminate duplicates Z: 10 16.344 1.822 0.628 0.850 1.000 0.778 CB 1.361 10 residues pruned to eliminate duplicates Z: 38 21.290 1.997 0.720 0.418 0.811 0.541 CB 1.368 38 residues pruned to eliminate duplicates Z: 14 25.111 2.027 0.663 0.871 0.923 0.769 CA 1.632 14 residues pruned to eliminate duplicates Z: 10 8.129 1.679 1.045 0.405 0.778 0.556 CB 1.120 10 residues pruned to eliminate duplicates Z: 12 12.724 1.678 0.399 0.819 0.909 0.455 CB 1.363 12 residues pruned to eliminate duplicates Z: 27 27.766 2.037 0.517 0.721 0.962 0.846 CB 1.500 27 residues pruned to eliminate duplicates Z: 8 3.972 1.525 0.416 0.540 0.714 0.571 CB 0.935 Z: 10 11.138 1.797 0.901 0.451 1.000 0.556 CB 1.144 Z: 6 3.645 1.510 0.108 0.709 1.000 1.000 CB 0.806 6 residues pruned to eliminate duplicates Z: 10 4.236 1.775 0.356 0.345 0.889 0.778 CB 0.781 10 residues pruned to eliminate duplicates Z: 20 19.755 1.632 0.522 0.900 1.000 0.842 CB 1.303 20 residues pruned to eliminate duplicates Z: 15 28.946 2.010 0.739 0.904 1.000 0.786 CB 1.577 23 residues pruned to eliminate duplicates Z: 12 13.973 1.843 0.282 0.907 1.000 0.909 CB 1.268 12 residues pruned to eliminate duplicates Z: 8 3.991 1.491 0.477 0.288 0.714 0.571 O 1.217 6 residues pruned to eliminate duplicates Z: 14 18.987 1.929 0.445 0.832 0.923 0.769 CB 1.536 14 residues pruned to eliminate duplicates Z: 16 18.746 1.727 0.454 0.941 1.000 0.933 CB 1.338 16 residues pruned to eliminate duplicates Z: 7 14.602 2.031 0.842 0.878 1.000 0.833 CA 1.156 7 residues pruned to eliminate duplicates Z: 13 12.548 2.010 0.760 0.419 0.833 0.500 CB 1.337 13 residues pruned to eliminate duplicates Z: 9 28.471 2.053 1.165 0.887 1.000 0.875 CA 1.632 9 residues pruned to eliminate duplicates Z: 39 36.679 1.939 0.841 0.742 0.974 0.632 CB 1.378 39 residues pruned to eliminate duplicates Z: 46 23.033 2.051 0.675 0.268 0.911 0.378 CB 1.427 46 residues pruned to eliminate duplicates Z: 12 25.080 1.890 0.818 0.918 1.000 0.909 CB 1.552 19 residues pruned to eliminate duplicates Z: 6 2.718 1.288 0.470 0.390 0.800 0.600 O 0.902 Z: 14 10.470 1.415 0.637 0.832 0.923 0.538 CB 1.020 12 residues pruned to eliminate duplicates Z: 20 16.649 2.016 0.504 0.554 0.947 0.526 CB 1.261 20 residues pruned to eliminate duplicates Z: 6 3.616 1.201 1.179 0.720 1.000 0.600 N 0.506 Z: 6 7.636 1.766 0.950 0.441 1.000 0.600 CB 1.054 Z: 13 13.911 1.707 0.253 0.911 1.000 0.917 CB 1.331 12 residues pruned to eliminate duplicates Z: 6 5.788 1.775 0.044 0.643 1.000 0.800 CB 1.222 6 residues pruned to eliminate duplicates Z: 13 21.664 2.193 0.977 0.814 0.917 0.667 CA 1.198 13 residues pruned to eliminate duplicates Z: 7 13.430 1.997 0.561 0.741 1.000 0.833 CB 1.418 Z: 24 19.641 1.897 0.458 0.715 0.870 0.696 CB 1.402 24 residues pruned to eliminate duplicates Z: 8 7.448 1.608 0.243 0.727 1.000 0.714 CA 1.148 8 residues pruned to eliminate duplicates Z: 14 17.985 2.027 0.562 0.838 0.923 0.846 CB 1.276 13 residues pruned to eliminate duplicates Z: 23 16.176 1.886 0.665 0.491 0.864 0.455 CB 1.283 23 residues pruned to eliminate duplicates Z: 17 18.472 2.047 0.850 0.450 0.938 0.500 CB 1.369 17 residues pruned to eliminate duplicates Z: 93 72.283 2.284 0.920 0.604 0.946 0.663 CB 1.645 93 residues pruned to eliminate duplicates Z: 6 13.735 1.725 0.942 0.731 1.000 0.800 CB 1.489 6 residues pruned to eliminate duplicates Z: 17 31.483 2.051 0.688 0.922 1.000 0.875 CA 1.598 15 residues pruned to eliminate duplicates Z: 29 23.275 1.934 0.719 0.759 0.821 0.500 CB 1.280 29 residues pruned to eliminate duplicates Z: 30 26.158 2.033 0.697 0.608 0.897 0.655 CB 1.417 30 residues pruned to eliminate duplicates Z: 26 27.952 2.054 0.753 0.631 0.920 0.760 CB 1.492 26 residues pruned to eliminate duplicates Z: 13 8.487 1.893 0.337 0.421 0.833 0.583 CB 1.261 13 residues pruned to eliminate duplicates Z: 6 5.019 1.490 0.226 0.847 0.800 0.600 N 1.141 6 residues pruned to eliminate duplicates Z: 7 3.815 1.628 0.209 0.825 0.500 0.500 CA 1.194 7 residues pruned to eliminate duplicates Z: 24 19.462 2.096 0.855 0.318 0.913 0.478 CB 1.397 24 residues pruned to eliminate duplicates Z: 19 17.728 1.607 0.604 0.898 0.944 0.611 CB 1.228 18 residues pruned to eliminate duplicates Z: 22 12.916 1.847 0.360 0.482 0.905 0.619 CA 1.263 22 residues pruned to eliminate duplicates Z: 45 19.781 1.853 0.436 0.504 0.886 0.568 CB 1.259 63 residues pruned to eliminate duplicates Z: 9 5.375 1.475 0.388 0.532 0.875 0.750 N 1.028 Z: 12 24.108 1.841 0.975 0.880 1.000 0.636 CA 1.449 12 residues pruned to eliminate duplicates Z: 13 22.262 2.164 0.533 0.894 1.000 0.833 CA 1.390 13 residues pruned to eliminate duplicates Z: 10 10.233 1.466 0.461 0.845 1.000 0.667 CA 1.184 10 residues pruned to eliminate duplicates Z: 36 18.964 1.969 0.554 0.488 0.829 0.429 CB 1.280 36 residues pruned to eliminate duplicates Z: 45 34.029 2.040 0.969 0.597 0.909 0.659 CB 1.281 45 residues pruned to eliminate duplicates Z: 44 25.612 1.928 0.506 0.569 0.953 0.674 CB 1.320 29 residues pruned to eliminate duplicates Z: 13 40.639 2.285 1.365 0.904 1.000 0.250 CB 1.546 13 residues pruned to eliminate duplicates 8 1.871 1.207 0.532 0.208 0.714 0.571 N 0.757 ? Z: 39 31.682 2.158 0.706 0.499 0.895 0.658 CB 1.563 39 residues pruned to eliminate duplicates Z: 15 33.949 2.077 0.931 0.935 1.000 0.286 CB 1.576 15 residues pruned to eliminate duplicates Z: 6 7.475 1.916 0.363 0.488 1.000 0.800 CB 1.296 6 residues pruned to eliminate duplicates 7 1.751 1.203 0.568 0.490 0.500 0.167 CB 0.766 ? Z: 32 14.678 1.909 0.362 0.472 0.968 0.548 CB 1.078 32 residues pruned to eliminate duplicates Z: 19 22.063 1.943 0.584 0.776 0.944 0.833 CB 1.403 19 residues pruned to eliminate duplicates Z: 9 5.894 1.593 0.333 0.451 1.000 0.875 CB 1.032 Z: 6 17.066 1.897 1.013 0.883 1.000 0.800 CB 1.445 6 residues pruned to eliminate duplicates Z: 12 21.608 2.016 0.516 0.924 1.000 1.000 CB 1.497 12 residues pruned to eliminate duplicates Z: 13 13.249 1.837 0.511 0.517 1.000 0.750 CB 1.355 13 residues pruned to eliminate duplicates Z: 10 8.796 1.462 0.320 0.901 1.000 1.000 CB 1.084 10 residues pruned to eliminate duplicates Z: 8 8.637 1.622 0.539 0.800 1.000 1.000 CB 1.006 7 residues pruned to eliminate duplicates Z: 10 6.297 1.677 -0.240 0.916 1.000 1.000 CB 1.163 10 residues pruned to eliminate duplicates Z: 12 12.235 1.660 0.253 0.887 1.000 1.000 CB 1.278 12 residues pruned to eliminate duplicates Z: 26 28.225 2.041 0.640 0.688 0.960 0.640 CB 1.479 26 residues pruned to eliminate duplicates Z: 32 28.519 2.216 0.730 0.362 0.935 0.548 CB 1.657 32 residues pruned to eliminate duplicates Z: 23 19.032 2.022 0.723 0.510 0.818 0.455 CB 1.410 23 residues pruned to eliminate duplicates Z: 38 33.559 1.993 0.804 0.735 0.892 0.568 CB 1.392 38 residues pruned to eliminate duplicates Z: 29 29.144 2.104 1.187 0.580 0.857 0.464 CB 1.293 29 residues pruned to eliminate duplicates Z: 7 2.021 1.634 -0.023 0.370 0.667 0.500 CB 0.890 Z: 11 11.128 1.924 0.661 0.774 0.700 0.700 CB 1.235 11 residues pruned to eliminate duplicates Z: 13 25.891 2.006 0.727 0.929 1.000 0.833 CB 1.509 13 residues pruned to eliminate duplicates Z: 15 19.184 1.640 0.792 0.925 1.000 0.571 CB 1.224 15 residues pruned to eliminate duplicates Z: 16 32.175 2.063 0.889 0.898 1.000 0.800 CA 1.525 16 residues pruned to eliminate duplicates Z: 6 6.598 1.629 0.266 0.575 1.000 1.000 CA 1.330 6 residues pruned to eliminate duplicates Z: 26 17.825 2.008 1.123 0.527 0.720 0.520 CB 1.130 26 residues pruned to eliminate duplicates Z: 7 2.641 1.492 0.299 0.248 0.667 0.500 CA 1.117 Z: 15 3.940 1.647 0.759 0.269 0.571 0.357 CB 0.828 Z: 48 39.654 2.038 0.700 0.673 0.936 0.681 CB 1.520 48 residues pruned to eliminate duplicates Z: 6 2.433 1.449 0.276 0.169 0.800 0.000 CB 1.099 Z: 69 70.666 2.173 1.069 0.723 0.971 0.765 CB 1.606 69 residues pruned to eliminate duplicates Z: 18 24.438 2.024 0.440 0.914 0.941 0.765 CB 1.528 18 residues pruned to eliminate duplicates Z: 32 33.053 2.072 1.053 0.583 0.935 0.645 CB 1.377 33 residues pruned to eliminate duplicates Z: 42 26.835 2.035 0.889 0.426 0.902 0.439 CB 1.304 42 residues pruned to eliminate duplicates Z: 30 38.700 1.955 0.924 0.928 0.931 0.586 CB 1.438 30 residues pruned to eliminate duplicates Z: 25 12.822 2.019 0.577 0.203 0.792 0.458 CB 1.478 25 residues pruned to eliminate duplicates Z: 12 2.856 1.391 0.441 0.132 0.636 0.273 CB 1.067 Z: 7 7.003 1.618 0.498 0.788 1.000 1.000 CB 0.916 7 residues pruned to eliminate duplicates Z: 18 10.829 1.642 0.541 0.475 1.000 0.588 CB 1.065 18 residues pruned to eliminate duplicates 6 1.291 1.394 0.449 0.589 0.800 0.800 CB 0.328 ? Z: 11 12.851 1.606 0.874 0.740 1.000 0.700 CB 1.089 11 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 39 35.336 1.974 0.437 0.869 0.974 0.895 CA 1.516 40 residues pruned to eliminate duplicates Z: 11 17.599 1.837 0.622 0.900 1.000 0.900 CB 1.334 11 residues pruned to eliminate duplicates Z: 46 37.746 1.929 0.608 0.771 0.978 0.756 CB 1.459 42 residues pruned to eliminate duplicates Z: 10 22.436 1.877 0.904 0.920 1.000 1.000 CB 1.473 10 residues pruned to eliminate duplicates Z: 45 34.602 1.933 0.636 0.761 0.909 0.750 CB 1.438 45 residues pruned to eliminate duplicates Z: 40 34.693 1.952 0.577 0.819 0.897 0.718 CB 1.525 40 residues pruned to eliminate duplicates Z: 43 33.911 1.941 0.638 0.751 0.929 0.714 CB 1.416 43 residues pruned to eliminate duplicates Z: 36 34.152 2.014 0.564 0.832 0.914 0.800 CA 1.505 36 residues pruned to eliminate duplicates Z: 42 32.046 1.913 0.552 0.759 0.927 0.732 CB 1.445 42 residues pruned to eliminate duplicates Z: 12 15.557 1.856 0.793 0.729 0.909 0.818 CB 1.261 12 residues pruned to eliminate duplicates Z: 9 18.374 1.758 1.250 0.834 0.875 0.625 CB 1.408 9 residues pruned to eliminate duplicates Z: 15 22.354 1.911 0.671 0.869 0.929 0.857 CB 1.472 15 residues pruned to eliminate duplicates Z: 14 22.174 2.027 0.531 0.920 0.923 0.846 CB 1.512 14 residues pruned to eliminate duplicates Z: 24 20.152 1.887 0.556 0.686 0.957 0.783 CB 1.262 26 residues pruned to eliminate duplicates Z: 15 20.781 1.973 0.464 0.925 0.929 0.786 CB 1.453 15 residues pruned to eliminate duplicates Z: 15 25.035 1.986 0.502 0.934 1.000 1.000 CA 1.564 15 residues pruned to eliminate duplicates Z: 17 16.725 1.756 0.466 0.746 1.000 0.812 CA 1.305 17 residues pruned to eliminate duplicates Z: 16 21.024 1.917 0.595 0.843 0.933 0.533 CB 1.416 16 residues pruned to eliminate duplicates Z: 15 25.698 1.992 0.635 0.937 1.000 1.000 CB 1.467 22 residues pruned to eliminate duplicates Z: 12 22.670 2.018 0.509 0.933 1.000 1.000 CA 1.566 12 residues pruned to eliminate duplicates Z: 18 18.930 1.825 0.550 0.799 0.941 0.706 CB 1.328 18 residues pruned to eliminate duplicates Z: 17 21.233 1.833 0.481 0.862 0.938 0.938 CA 1.531 17 residues pruned to eliminate duplicates Z: 12 26.492 2.001 0.748 0.942 1.000 1.000 CA 1.584 12 residues pruned to eliminate duplicates Z: 26 28.659 1.892 0.666 0.791 0.960 0.720 CB 1.467 26 residues pruned to eliminate duplicates Z: 37 33.248 2.008 0.622 0.773 0.944 0.611 CB 1.415 37 residues pruned to eliminate duplicates Z: 37 33.858 2.010 0.688 0.746 0.944 0.694 CB 1.413 37 residues pruned to eliminate duplicates Z: 37 34.021 2.012 0.653 0.766 0.944 0.667 CB 1.426 37 residues pruned to eliminate duplicates Z: 37 33.319 1.986 0.727 0.738 0.917 0.556 CB 1.426 37 residues pruned to eliminate duplicates Z: 25 28.588 1.886 0.642 0.845 1.000 0.625 CB 1.401 25 residues pruned to eliminate duplicates Z: 38 32.458 2.016 0.638 0.691 0.946 0.568 CB 1.434 38 residues pruned to eliminate duplicates Z: 35 38.796 2.037 0.778 0.780 1.000 0.647 CB 1.435 35 residues pruned to eliminate duplicates Z: 38 38.170 1.999 0.839 0.726 0.973 0.622 CB 1.431 38 residues pruned to eliminate duplicates Z: 36 36.589 2.035 0.652 0.764 1.000 0.629 CB 1.455 36 residues pruned to eliminate duplicates Z: 37 32.796 1.984 0.678 0.758 0.944 0.528 CB 1.382 37 residues pruned to eliminate duplicates Z: 34 28.021 2.016 0.552 0.662 0.909 0.576 CB 1.476 34 residues pruned to eliminate duplicates Z: 37 35.163 2.036 0.661 0.738 0.944 0.722 CB 1.482 36 residues pruned to eliminate duplicates Z: 23 29.103 2.002 0.652 0.888 0.909 0.455 CB 1.486 23 residues pruned to eliminate duplicates Z: 37 34.354 2.041 0.669 0.716 0.972 0.556 CB 1.422 37 residues pruned to eliminate duplicates Z: 37 38.197 2.029 0.740 0.762 0.972 0.667 CB 1.470 37 residues pruned to eliminate duplicates Z: 36 39.441 2.058 0.766 0.767 1.000 0.686 CB 1.448 36 residues pruned to eliminate duplicates Z: 35 38.565 2.078 0.791 0.785 0.941 0.706 CB 1.470 35 residues pruned to eliminate duplicates Z: 36 33.962 2.055 0.644 0.741 0.943 0.571 CB 1.452 36 residues pruned to eliminate duplicates Z: 37 37.312 2.013 0.749 0.769 0.972 0.694 CB 1.432 37 residues pruned to eliminate duplicates Z: 38 35.224 2.028 0.644 0.739 0.946 0.568 CB 1.481 38 residues pruned to eliminate duplicates Z: 38 33.483 2.053 0.725 0.718 0.892 0.676 CB 1.431 38 residues pruned to eliminate duplicates Z: 58 39.567 1.991 0.671 0.673 0.965 0.596 CB 1.392 58 residues pruned to eliminate duplicates Z: 37 34.616 1.988 0.834 0.741 0.944 0.667 CB 1.350 37 residues pruned to eliminate duplicates Z: 53 36.227 1.969 0.667 0.705 0.904 0.712 CB 1.406 53 residues pruned to eliminate duplicates Z: 37 26.315 1.902 0.688 0.637 0.861 0.472 CB 1.395 37 residues pruned to eliminate duplicates Z: 38 34.401 2.001 0.662 0.739 0.973 0.622 CB 1.411 38 residues pruned to eliminate duplicates Z: 38 37.353 2.026 0.902 0.738 0.946 0.676 CB 1.361 38 residues pruned to eliminate duplicates Z: 38 35.823 2.028 0.759 0.717 0.946 0.514 CB 1.434 38 residues pruned to eliminate duplicates Z: 38 40.047 1.997 0.864 0.735 1.000 0.649 CB 1.431 38 residues pruned to eliminate duplicates Z: 56 40.207 1.981 0.748 0.741 0.909 0.600 CB 1.388 56 residues pruned to eliminate duplicates Z: 36 22.549 1.846 0.615 0.549 0.971 0.600 CB 1.254 36 residues pruned to eliminate duplicates Z: 37 26.638 1.917 0.660 0.638 0.917 0.667 CB 1.337 37 residues pruned to eliminate duplicates Z: 40 36.911 2.019 0.809 0.715 0.949 0.564 CB 1.404 40 residues pruned to eliminate duplicates Z: 10 5.261 1.850 0.745 0.418 1.000 0.667 CB 0.591 Z: 8 7.277 1.347 0.684 0.656 1.000 0.857 CA 1.048 6 residues pruned to eliminate duplicates Z: 14 20.009 2.075 0.515 0.698 0.923 0.308 CB 1.597 14 residues pruned to eliminate duplicates Z: 51 35.204 2.206 0.711 0.434 0.920 0.480 CB 1.535 51 residues pruned to eliminate duplicates Z: 55 36.542 2.293 0.606 0.429 0.889 0.519 CB 1.635 55 residues pruned to eliminate duplicates Z: 87 59.435 2.234 0.784 0.563 0.942 0.616 CB 1.607 87 residues pruned to eliminate duplicates Z: 11 21.179 2.218 0.217 0.837 1.000 0.600 CA 1.856 11 residues pruned to eliminate duplicates Z: 52 30.128 2.189 0.539 0.420 0.882 0.490 CB 1.543 52 residues pruned to eliminate duplicates Z: 11 26.330 2.195 0.486 0.828 1.000 0.500 N 1.923 11 residues pruned to eliminate duplicates Z: 51 24.585 2.127 0.465 0.396 0.880 0.500 CB 1.415 51 residues pruned to eliminate duplicates Z: 93 59.003 2.207 0.709 0.579 0.957 0.630 CB 1.580 93 residues pruned to eliminate duplicates Z: 91 61.352 2.228 0.796 0.578 0.944 0.656 CB 1.588 93 residues pruned to eliminate duplicates Z: 13 14.642 2.238 0.394 0.607 0.833 0.583 CB 1.468 13 residues pruned to eliminate duplicates Z: 94 53.557 2.168 0.754 0.541 0.914 0.527 CB 1.534 94 residues pruned to eliminate duplicates Z: 93 58.591 2.192 0.757 0.574 0.957 0.598 CB 1.544 93 residues pruned to eliminate duplicates Z: 22 23.981 2.118 0.549 0.604 0.952 0.571 CB 1.517 22 residues pruned to eliminate duplicates Z: 89 50.735 2.172 0.704 0.554 0.886 0.614 CB 1.564 89 residues pruned to eliminate duplicates Z: 52 31.659 2.167 0.744 0.409 0.902 0.451 CB 1.432 52 residues pruned to eliminate duplicates Z: 93 59.429 2.210 0.837 0.582 0.913 0.641 CB 1.545 93 residues pruned to eliminate duplicates Z: 87 64.145 2.226 0.863 0.581 0.965 0.663 CB 1.599 87 residues pruned to eliminate duplicates Z: 86 51.446 2.199 0.753 0.516 0.906 0.553 CB 1.574 86 residues pruned to eliminate duplicates Z: 69 49.343 2.209 0.875 0.510 0.956 0.603 CB 1.497 69 residues pruned to eliminate duplicates Z: 41 28.640 2.195 0.583 0.401 0.925 0.500 CB 1.564 41 residues pruned to eliminate duplicates Z: 87 52.885 2.187 0.861 0.515 0.919 0.593 CB 1.503 87 residues pruned to eliminate duplicates Z: 60 54.227 2.285 0.893 0.554 0.932 0.678 CB 1.660 60 residues pruned to eliminate duplicates Z: 68 54.954 2.229 0.817 0.579 0.940 0.687 CB 1.633 68 residues pruned to eliminate duplicates Z: 66 60.020 2.256 1.004 0.571 0.908 0.662 CB 1.694 66 residues pruned to eliminate duplicates Z: 63 50.675 2.210 1.031 0.508 0.919 0.565 CB 1.547 63 residues pruned to eliminate duplicates Z: 29 25.288 2.269 0.775 0.334 0.857 0.571 CB 1.661 29 residues pruned to eliminate duplicates Z: 88 49.681 2.220 0.649 0.531 0.897 0.621 CB 1.574 88 residues pruned to eliminate duplicates Z: 73 51.723 2.171 0.774 0.549 0.931 0.722 CB 1.620 73 residues pruned to eliminate duplicates Z: 64 55.629 2.252 0.833 0.573 0.984 0.635 CB 1.608 64 residues pruned to eliminate duplicates Z: 62 49.620 2.243 0.786 0.526 0.951 0.689 CB 1.626 62 residues pruned to eliminate duplicates Z: 67 60.332 2.245 0.964 0.578 0.924 0.636 CB 1.691 67 residues pruned to eliminate duplicates Z: 28 27.262 2.310 0.895 0.292 0.889 0.519 CA 1.702 28 residues pruned to eliminate duplicates Z: 62 49.583 2.230 0.809 0.533 0.902 0.639 CA 1.689 62 residues pruned to eliminate duplicates Z: 55 44.918 2.287 0.730 0.511 0.926 0.685 CA 1.651 55 residues pruned to eliminate duplicates Z: 61 53.605 2.261 0.882 0.544 0.917 0.667 CB 1.700 61 residues pruned to eliminate duplicates Z: 71 51.144 2.153 0.746 0.600 0.957 0.686 CB 1.544 71 residues pruned to eliminate duplicates Z: 68 57.576 2.240 0.940 0.553 0.940 0.582 CB 1.636 68 residues pruned to eliminate duplicates Z: 61 50.591 2.257 0.869 0.528 0.933 0.633 CB 1.614 61 residues pruned to eliminate duplicates Z: 51 51.842 2.153 0.873 0.759 0.960 0.780 CB 1.504 51 residues pruned to eliminate duplicates Z: 64 54.883 2.221 0.817 0.577 0.984 0.698 CB 1.617 64 residues pruned to eliminate duplicates Z: 48 50.899 2.201 0.726 0.750 0.957 0.830 CB 1.633 48 residues pruned to eliminate duplicates Z: 9 10.747 2.076 0.749 0.428 0.875 0.500 CB 1.288 9 residues pruned to eliminate duplicates Z: 61 49.360 2.269 0.816 0.565 0.900 0.617 CB 1.613 61 residues pruned to eliminate duplicates Z: 62 52.499 2.217 0.797 0.586 0.934 0.639 CB 1.662 62 residues pruned to eliminate duplicates Z: 61 51.481 2.252 0.854 0.539 0.950 0.733 CB 1.613 61 residues pruned to eliminate duplicates Z: 64 55.449 2.250 0.902 0.590 0.952 0.683 CB 1.573 64 residues pruned to eliminate duplicates Z: 48 53.930 2.182 0.801 0.778 0.979 0.766 CA 1.600 48 residues pruned to eliminate duplicates Z: 74 58.325 2.175 0.785 0.595 0.959 0.658 CA 1.675 74 residues pruned to eliminate duplicates Z: 43 52.864 2.220 0.765 0.799 0.952 0.810 CB 1.683 43 residues pruned to eliminate duplicates Z: 49 48.331 2.161 0.937 0.647 0.958 0.708 CA 1.516 49 residues pruned to eliminate duplicates Z: 39 50.995 2.255 0.870 0.706 0.974 0.711 CB 1.671 39 residues pruned to eliminate duplicates Z: 42 55.587 2.213 0.957 0.790 0.976 0.707 CA 1.593 42 residues pruned to eliminate duplicates Z: 43 45.887 2.143 0.864 0.695 0.952 0.762 CB 1.558 43 residues pruned to eliminate duplicates Z: 38 50.939 2.264 1.004 0.715 0.919 0.838 CA 1.653 38 residues pruned to eliminate duplicates Z: 62 54.764 2.242 0.902 0.555 0.967 0.590 CA 1.612 62 residues pruned to eliminate duplicates Z: 74 56.396 2.222 0.910 0.550 0.918 0.671 CB 1.615 74 residues pruned to eliminate duplicates Z: 32 42.392 2.251 0.930 0.643 0.935 0.645 CA 1.640 32 residues pruned to eliminate duplicates Z: 39 45.075 2.154 1.010 0.665 0.974 0.605 CB 1.489 39 residues pruned to eliminate duplicates Z: 65 58.762 2.221 0.927 0.587 0.969 0.562 CA 1.631 65 residues pruned to eliminate duplicates Z: 68 61.082 2.226 1.054 0.579 0.940 0.522 CB 1.609 68 residues pruned to eliminate duplicates Z: 62 58.773 2.288 0.945 0.587 0.918 0.705 CB 1.693 62 residues pruned to eliminate duplicates Z: 41 56.043 2.250 1.169 0.746 0.925 0.675 CB 1.575 41 residues pruned to eliminate duplicates Z: 43 67.920 2.232 1.140 0.819 1.000 0.786 CB 1.664 43 residues pruned to eliminate duplicates Z: 69 67.468 2.232 1.031 0.629 0.985 0.632 CB 1.623 69 residues pruned to eliminate duplicates Z: 53 51.165 2.066 0.938 0.717 0.962 0.654 CB 1.514 53 residues pruned to eliminate duplicates Z: 40 59.854 2.229 1.230 0.804 0.949 0.744 CB 1.558 40 residues pruned to eliminate duplicates Z: 46 58.638 2.210 1.092 0.721 0.956 0.622 CB 1.620 46 residues pruned to eliminate duplicates Z: 64 60.993 2.252 1.087 0.577 0.952 0.429 CB 1.594 64 residues pruned to eliminate duplicates Z: 68 60.412 2.184 1.025 0.579 0.970 0.597 CB 1.594 68 residues pruned to eliminate duplicates Z: 72 58.418 2.204 1.040 0.593 0.915 0.535 CB 1.540 72 residues pruned to eliminate duplicates Z: 46 59.997 2.194 1.139 0.783 0.933 0.711 CB 1.592 46 residues pruned to eliminate duplicates Z: 33 36.873 2.033 0.947 0.771 0.938 0.531 CB 1.382 33 residues pruned to eliminate duplicates Z: 53 54.975 2.147 1.096 0.712 0.962 0.673 CB 1.454 53 residues pruned to eliminate duplicates Z: 49 62.937 2.203 1.087 0.785 0.979 0.729 CB 1.570 49 residues pruned to eliminate duplicates Z: 71 65.104 2.220 1.112 0.623 0.943 0.529 CB 1.568 71 residues pruned to eliminate duplicates Z: 46 62.290 2.168 1.209 0.792 0.978 0.622 CB 1.535 46 residues pruned to eliminate duplicates Z: 44 59.794 2.198 1.213 0.805 0.930 0.674 CB 1.544 44 residues pruned to eliminate duplicates Z: 44 53.540 2.184 1.076 0.775 0.930 0.558 CB 1.518 44 residues pruned to eliminate duplicates Z: 48 55.418 2.150 1.162 0.736 0.894 0.511 CB 1.574 48 residues pruned to eliminate duplicates Z: 44 59.290 2.197 1.157 0.799 0.953 0.512 CB 1.540 44 residues pruned to eliminate duplicates Z: 44 57.293 2.174 1.153 0.785 0.953 0.512 CB 1.523 44 residues pruned to eliminate duplicates Z: 44 66.939 2.205 1.238 0.806 1.000 0.558 CB 1.584 43 residues pruned to eliminate duplicates Z: 27 45.552 2.085 1.106 0.950 1.000 0.423 CB 1.403 27 residues pruned to eliminate duplicates Z: 18 24.277 1.900 0.838 0.878 0.882 0.471 CB 1.387 18 residues pruned to eliminate duplicates Z: 13 12.156 1.697 0.079 0.905 1.000 0.917 CB 1.364 13 residues pruned to eliminate duplicates Z: 11 8.731 1.731 -0.025 0.764 1.000 0.800 CB 1.293 11 residues pruned to eliminate duplicates Z: 14 10.674 1.682 0.179 0.726 0.923 0.692 CB 1.319 14 residues pruned to eliminate duplicates Z: 16 10.337 1.665 0.184 0.600 1.000 0.600 CB 1.231 14 residues pruned to eliminate duplicates Z: 10 9.224 1.660 0.483 0.692 0.889 0.333 CB 1.179 10 residues pruned to eliminate duplicates Z: 14 9.474 1.597 0.357 0.670 1.000 0.385 CB 1.036 14 residues pruned to eliminate duplicates Z: 13 9.035 1.604 0.535 0.738 0.917 0.833 CB 0.934 13 residues pruned to eliminate duplicates Z: 12 11.268 1.673 0.549 0.838 0.909 0.909 CB 1.078 12 residues pruned to eliminate duplicates Z: 12 11.824 1.721 0.722 0.842 0.818 0.818 CB 1.095 12 residues pruned to eliminate duplicates Z: 12 11.837 1.747 0.682 0.833 0.818 0.727 CB 1.114 12 residues pruned to eliminate duplicates Z: 12 17.529 1.745 0.621 0.857 1.000 0.909 CB 1.377 11 residues pruned to eliminate duplicates Z: 12 14.408 1.692 0.663 0.891 1.000 0.818 CB 1.110 12 residues pruned to eliminate duplicates Z: 6 3.656 1.629 0.180 0.307 1.000 0.600 CB 1.054 6 residues pruned to eliminate duplicates Z: 16 8.392 1.749 0.385 0.461 0.867 0.467 CB 1.074 16 residues pruned to eliminate duplicates Z: 14 7.730 1.829 0.312 0.464 0.846 0.769 CB 1.095 14 residues pruned to eliminate duplicates Z: 14 8.196 1.824 0.278 0.417 0.923 0.462 CB 1.152 14 residues pruned to eliminate duplicates Z: 17 7.450 1.721 0.321 0.378 0.875 0.312 CB 1.067 17 residues pruned to eliminate duplicates Z: 15 8.372 1.730 0.320 0.430 0.929 0.500 CB 1.135 14 residues pruned to eliminate duplicates Z: 21 22.066 1.854 0.499 0.909 0.950 0.900 CB 1.326 21 residues pruned to eliminate duplicates Z: 20 16.084 1.784 0.671 0.651 0.842 0.632 CA 1.277 13 residues pruned to eliminate duplicates Z: 17 23.855 1.888 0.566 0.930 1.000 0.875 CB 1.410 17 residues pruned to eliminate duplicates Z: 21 18.620 1.808 0.454 0.778 0.950 0.750 CB 1.304 21 residues pruned to eliminate duplicates Z: 20 22.259 1.807 0.776 0.848 0.895 0.842 CB 1.319 20 residues pruned to eliminate duplicates Z: 20 23.430 1.825 0.742 0.809 1.000 0.737 CB 1.292 20 residues pruned to eliminate duplicates Z: 16 21.726 1.870 0.762 0.796 0.933 0.933 CB 1.407 16 residues pruned to eliminate duplicates Z: 24 20.696 1.776 0.437 0.870 1.000 0.783 CB 1.235 24 residues pruned to eliminate duplicates Z: 20 18.526 1.792 0.657 0.752 0.947 0.526 CB 1.207 20 residues pruned to eliminate duplicates Z: 25 19.584 1.716 0.573 0.827 0.958 0.750 CB 1.164 25 residues pruned to eliminate duplicates Z: 19 17.677 1.792 0.613 0.777 0.889 0.722 CB 1.270 19 residues pruned to eliminate duplicates Z: 23 19.594 1.772 0.753 0.777 0.909 0.545 CB 1.158 23 residues pruned to eliminate duplicates Z: 21 21.839 1.783 0.860 0.817 0.900 0.350 CB 1.243 21 residues pruned to eliminate duplicates Z: 32 22.615 1.793 0.623 0.702 1.000 0.677 CB 1.161 37 residues pruned to eliminate duplicates Z: 22 21.130 1.742 0.777 0.912 1.000 0.429 CB 1.055 22 residues pruned to eliminate duplicates Z: 22 20.401 1.738 0.879 0.812 0.905 0.524 CB 1.149 22 residues pruned to eliminate duplicates Z: 21 19.697 1.776 0.689 0.800 0.900 0.450 CB 1.255 21 residues pruned to eliminate duplicates Z: 21 18.312 1.731 0.675 0.791 0.900 0.700 CB 1.216 21 residues pruned to eliminate duplicates Z: 23 12.075 1.684 0.598 0.471 0.955 0.455 CB 1.032 23 residues pruned to eliminate duplicates Z: 36 19.089 1.731 0.712 0.702 0.914 0.486 CB 0.990 36 residues pruned to eliminate duplicates Z: 18 24.719 2.079 0.497 0.784 0.941 0.824 CA 1.594 18 residues pruned to eliminate duplicates Z: 29 26.317 2.034 0.563 0.605 0.929 0.679 CB 1.525 29 residues pruned to eliminate duplicates Z: 28 25.396 2.028 0.567 0.694 0.852 0.741 CB 1.511 28 residues pruned to eliminate duplicates Z: 32 28.279 2.029 0.645 0.630 0.903 0.677 CB 1.491 32 residues pruned to eliminate duplicates Z: 17 23.083 2.093 0.544 0.759 0.875 0.750 CA 1.621 17 residues pruned to eliminate duplicates Z: 32 24.936 1.983 0.686 0.589 0.871 0.645 CB 1.413 32 residues pruned to eliminate duplicates Z: 28 27.128 2.052 0.665 0.654 0.889 0.704 CB 1.490 28 residues pruned to eliminate duplicates Z: 29 28.438 2.011 0.654 0.685 0.893 0.750 CA 1.528 29 residues pruned to eliminate duplicates Z: 28 26.062 2.031 0.569 0.667 0.889 0.630 CB 1.518 28 residues pruned to eliminate duplicates Z: 30 24.188 2.016 0.466 0.619 0.931 0.724 CB 1.459 30 residues pruned to eliminate duplicates Z: 28 31.273 2.074 0.617 0.673 0.963 0.704 CB 1.588 28 residues pruned to eliminate duplicates Z: 28 25.473 2.037 0.533 0.650 0.889 0.741 CB 1.535 28 residues pruned to eliminate duplicates Z: 27 29.990 2.081 0.548 0.708 1.000 0.577 CB 1.511 27 residues pruned to eliminate duplicates Z: 26 28.123 2.064 0.585 0.682 0.960 0.800 CB 1.514 26 residues pruned to eliminate duplicates Z: 30 26.143 2.023 0.680 0.647 0.862 0.724 CB 1.445 30 residues pruned to eliminate duplicates Z: 30 26.757 2.006 0.706 0.625 0.897 0.724 CB 1.440 30 residues pruned to eliminate duplicates Z: 29 23.867 2.010 0.632 0.613 0.821 0.500 CB 1.504 29 residues pruned to eliminate duplicates Z: 33 27.488 1.944 0.651 0.633 0.906 0.625 CB 1.474 33 residues pruned to eliminate duplicates Z: 26 20.395 1.977 0.408 0.598 0.840 0.560 CB 1.588 26 residues pruned to eliminate duplicates Z: 31 27.056 2.040 0.629 0.646 0.900 0.600 CB 1.441 31 residues pruned to eliminate duplicates Z: 30 23.242 2.015 0.538 0.621 0.862 0.655 CB 1.441 30 residues pruned to eliminate duplicates Z: 31 24.453 2.026 0.518 0.658 0.900 0.667 CB 1.392 31 residues pruned to eliminate duplicates Z: 28 32.816 2.066 0.713 0.738 0.963 0.704 CB 1.497 29 residues pruned to eliminate duplicates Z: 6 2.857 1.613 0.041 0.330 0.800 0.600 CA 1.146 Z: 6 2.939 1.332 0.469 0.240 0.800 0.400 CA 1.134 Z: 12 19.656 2.073 0.567 0.683 1.000 0.636 CA 1.543 12 residues pruned to eliminate duplicates Z: 30 30.385 2.174 0.792 0.486 0.897 0.586 CB 1.638 30 residues pruned to eliminate duplicates Z: 31 29.952 2.208 0.782 0.502 0.900 0.633 CB 1.540 31 residues pruned to eliminate duplicates Z: 29 34.995 2.255 0.822 0.543 0.964 0.643 CB 1.601 29 residues pruned to eliminate duplicates Z: 69 46.613 2.128 0.846 0.587 0.897 0.618 CB 1.476 140 residues pruned to eliminate duplicates Z: 30 28.525 2.210 0.759 0.533 0.862 0.586 CB 1.530 Z: 10 20.777 2.005 0.808 0.829 1.000 0.667 CB 1.437 10 residues pruned to eliminate duplicates Z: 31 27.677 2.152 0.617 0.479 0.933 0.533 CB 1.589 30 residues pruned to eliminate duplicates Z: 10 17.716 2.290 0.871 0.690 0.778 0.667 CB 1.490 10 residues pruned to eliminate duplicates Z: 28 36.182 2.217 0.914 0.543 0.926 0.704 CB 1.700 31 residues pruned to eliminate duplicates Z: 6 9.422 1.855 0.876 0.469 1.000 0.800 CA 1.250 6 residues pruned to eliminate duplicates Z: 29 31.440 2.201 0.768 0.558 0.893 0.607 CB 1.616 29 residues pruned to eliminate duplicates Z: 6 2.560 1.199 0.807 0.479 1.000 1.000 CA 0.540 6 residues pruned to eliminate duplicates Z: 29 16.185 1.986 0.795 0.329 0.750 0.429 CB 1.381 25 residues pruned to eliminate duplicates Z: 10 15.546 1.931 0.582 0.630 1.000 0.333 N 1.501 10 residues pruned to eliminate duplicates Z: 29 17.943 2.101 0.711 0.394 0.821 0.321 CB 1.283 29 residues pruned to eliminate duplicates Z: 66 57.405 2.225 0.758 0.676 0.954 0.754 CB 1.623 98 residues pruned to eliminate duplicates Z: 16 24.733 2.221 0.690 0.503 1.000 0.600 CB 1.696 Z: 9 13.348 1.819 0.644 0.784 0.875 0.500 CB 1.404 10 residues pruned to eliminate duplicates Z: 8 14.246 2.123 0.479 0.652 1.000 0.714 CB 1.489 8 residues pruned to eliminate duplicates Z: 30 28.021 2.135 0.791 0.523 0.897 0.586 CB 1.484 17 residues pruned to eliminate duplicates Z: 10 20.729 2.109 0.706 0.630 1.000 0.667 CA 1.700 9 residues pruned to eliminate duplicates Z: 14 12.003 1.629 0.279 0.874 0.923 0.769 CB 1.260 14 residues pruned to eliminate duplicates Z: 12 10.888 1.690 0.176 0.845 0.909 0.727 CB 1.351 12 residues pruned to eliminate duplicates Z: 10 7.125 1.677 0.255 0.438 1.000 0.778 CB 1.203 10 residues pruned to eliminate duplicates Z: 11 11.148 1.768 0.281 0.785 0.900 0.700 CA 1.347 11 residues pruned to eliminate duplicates Z: 10 16.235 1.860 0.674 0.842 1.000 0.778 CB 1.295 11 residues pruned to eliminate duplicates Z: 13 14.198 1.717 0.523 0.904 0.917 0.667 CB 1.218 12 residues pruned to eliminate duplicates Z: 10 17.377 1.799 0.772 0.866 1.000 0.778 CB 1.330 10 residues pruned to eliminate duplicates Z: 11 15.682 1.820 0.744 0.782 0.900 0.700 CB 1.355 11 residues pruned to eliminate duplicates Z: 12 12.689 1.607 0.633 0.727 1.000 0.545 CB 1.188 12 residues pruned to eliminate duplicates Z: 11 16.139 1.761 0.785 0.840 0.900 0.600 CB 1.346 11 residues pruned to eliminate duplicates Z: 11 17.356 1.767 0.743 0.823 1.000 0.700 CB 1.348 11 residues pruned to eliminate duplicates Z: 12 7.061 1.980 0.402 0.372 0.818 0.545 CB 1.075 Z: 6 6.251 1.731 0.795 0.160 1.000 0.400 CB 1.363 6 residues pruned to eliminate duplicates Z: 9 4.996 1.863 0.429 0.409 1.000 0.625 CB 0.730 11 residues pruned to eliminate duplicates Z: 6 4.311 1.790 0.397 0.382 0.800 0.400 CB 1.093 4 residues pruned to eliminate duplicates Z: 6 2.230 1.619 0.210 0.189 1.000 0.600 CB 0.740 Z: 16 29.298 2.236 0.391 0.869 1.000 0.867 CA 1.776 16 residues pruned to eliminate duplicates Z: 16 29.848 2.223 0.444 0.869 1.000 0.933 CA 1.753 16 residues pruned to eliminate duplicates Z: 16 29.507 2.180 0.669 0.820 0.933 0.867 CB 1.699 16 residues pruned to eliminate duplicates Z: 55 38.542 2.040 0.706 0.731 0.852 0.593 CB 1.437 55 residues pruned to eliminate duplicates Z: 58 37.759 2.016 0.665 0.678 0.930 0.632 CB 1.361 58 residues pruned to eliminate duplicates Z: 19 24.678 2.190 0.578 0.721 0.889 0.778 CB 1.550 19 residues pruned to eliminate duplicates Z: 19 24.450 2.159 0.593 0.721 0.889 0.833 CB 1.544 19 residues pruned to eliminate duplicates Z: 18 30.940 2.155 0.783 0.759 0.882 0.647 CB 1.759 18 residues pruned to eliminate duplicates Z: 52 32.549 2.060 0.588 0.674 0.863 0.529 CB 1.376 52 residues pruned to eliminate duplicates Z: 17 27.505 2.222 0.595 0.761 0.938 0.500 CB 1.641 17 residues pruned to eliminate duplicates Z: 27 25.138 2.087 0.702 0.597 0.885 0.500 CB 1.431 30 residues pruned to eliminate duplicates Z: 16 29.203 2.093 0.823 0.940 0.867 0.333 CB 1.584 16 residues pruned to eliminate duplicates Z: 19 19.667 2.080 0.536 0.729 0.833 0.444 CB 1.417 19 residues pruned to eliminate duplicates Z: 25 23.819 2.051 0.693 0.637 0.958 0.458 CB 1.284 25 residues pruned to eliminate duplicates Z: 18 25.150 2.163 0.772 0.768 0.824 0.471 CB 1.524 18 residues pruned to eliminate duplicates Z: 13 5.350 1.683 -0.011 0.495 0.917 0.833 CB 1.017 13 residues pruned to eliminate duplicates Z: 10 6.865 1.757 0.153 0.594 0.889 0.778 CB 1.161 10 residues pruned to eliminate duplicates Z: 12 18.079 1.819 0.501 0.727 1.000 0.727 CA 1.628 12 residues pruned to eliminate duplicates Z: 11 11.539 1.974 0.568 0.483 0.700 0.400 CB 1.713 11 residues pruned to eliminate duplicates Z: 29 18.484 1.857 0.387 0.497 1.000 0.536 CB 1.360 31 residues pruned to eliminate duplicates Z: 8 12.590 1.885 0.489 0.761 0.857 0.571 CA 1.569 8 residues pruned to eliminate duplicates Z: 20 14.989 1.884 0.497 0.451 0.895 0.579 CB 1.432 21 residues pruned to eliminate duplicates Z: 8 7.132 1.814 0.235 0.628 0.714 0.286 CB 1.493 8 residues pruned to eliminate duplicates Z: 28 17.416 1.807 0.469 0.449 0.963 0.630 CB 1.382 25 residues pruned to eliminate duplicates Z: 10 5.440 1.346 0.454 0.532 0.889 0.667 N 1.011 Z: 8 4.773 1.342 0.334 0.543 1.000 0.714 O 0.967 8 residues pruned to eliminate duplicates Z: 28 19.029 1.780 0.684 0.460 0.963 0.481 CB 1.322 38 residues pruned to eliminate duplicates Z: 17 10.952 1.747 0.401 0.469 0.938 0.625 CB 1.231 17 residues pruned to eliminate duplicates Z: 12 6.990 1.751 0.326 0.330 0.818 0.545 CA 1.337 12 residues pruned to eliminate duplicates Z: 17 9.879 1.717 0.428 0.449 0.812 0.625 CB 1.307 17 residues pruned to eliminate duplicates Z: 19 9.323 1.653 0.641 0.363 0.833 0.444 CB 1.126 19 residues pruned to eliminate duplicates Z: 24 15.087 1.869 0.579 0.371 0.957 0.478 CB 1.280 24 residues pruned to eliminate duplicates Z: 7 7.393 1.666 0.367 0.650 1.000 0.500 CB 1.152 7 residues pruned to eliminate duplicates Z: 30 17.662 1.777 0.704 0.434 0.828 0.483 CB 1.402 30 residues pruned to eliminate duplicates Z: 11 4.302 1.420 0.322 0.334 0.800 0.300 CA 1.085 9 residues pruned to eliminate duplicates Z: 8 5.830 1.575 0.188 0.663 0.857 0.571 CA 1.182 8 residues pruned to eliminate duplicates Z: 19 7.323 1.540 0.435 0.407 0.833 0.389 CB 1.034 19 residues pruned to eliminate duplicates Z: 27 11.988 1.776 0.412 0.339 0.846 0.462 CB 1.322 27 residues pruned to eliminate duplicates Z: 21 9.952 1.652 0.511 0.375 0.900 0.600 CB 1.132 21 residues pruned to eliminate duplicates Z: 43 30.352 2.021 0.647 0.536 0.929 0.643 CB 1.462 43 residues pruned to eliminate duplicates Z: 16 7.458 1.862 0.369 0.336 0.733 0.467 CB 1.232 16 residues pruned to eliminate duplicates Z: 20 7.145 1.701 0.399 0.374 0.737 0.368 CB 1.070 20 residues pruned to eliminate duplicates Z: 17 9.323 1.750 0.462 0.425 0.812 0.562 CB 1.212 16 residues pruned to eliminate duplicates Z: 6 2.982 1.437 0.636 0.269 0.800 0.600 CB 0.922 6 residues pruned to eliminate duplicates Z: 42 30.452 2.035 0.641 0.550 0.951 0.634 CB 1.427 42 residues pruned to eliminate duplicates Z: 39 30.799 2.082 0.681 0.558 0.974 0.632 CB 1.386 39 residues pruned to eliminate duplicates Z: 11 4.514 1.556 0.521 0.278 0.700 0.200 CB 1.107 11 residues pruned to eliminate duplicates Z: 43 27.636 1.999 0.646 0.478 0.905 0.595 CB 1.465 44 residues pruned to eliminate duplicates Z: 6 4.124 1.838 0.047 0.320 0.800 0.200 CB 1.461 6 residues pruned to eliminate duplicates Z: 44 28.010 1.960 0.660 0.503 0.930 0.535 CB 1.406 44 residues pruned to eliminate duplicates Z: 43 26.565 2.015 0.481 0.514 0.952 0.524 CB 1.423 43 residues pruned to eliminate duplicates Z: 42 32.192 2.035 0.724 0.584 0.902 0.634 CB 1.464 42 residues pruned to eliminate duplicates Z: 34 26.349 1.997 0.615 0.620 0.879 0.515 CB 1.444 34 residues pruned to eliminate duplicates Z: 47 25.995 1.949 0.642 0.520 0.848 0.522 CB 1.385 47 residues pruned to eliminate duplicates Z: 44 26.887 1.996 0.561 0.524 0.907 0.512 CB 1.417 44 residues pruned to eliminate duplicates Z: 42 27.555 2.009 0.605 0.529 0.927 0.488 CB 1.399 42 residues pruned to eliminate duplicates Z: 28 34.116 2.130 0.871 0.624 0.963 0.519 CB 1.522 28 residues pruned to eliminate duplicates Z: 44 28.918 1.992 0.756 0.538 0.884 0.605 CB 1.374 44 residues pruned to eliminate duplicates Z: 39 30.556 2.079 0.672 0.609 0.947 0.737 CB 1.358 39 residues pruned to eliminate duplicates Z: 46 28.033 1.956 0.658 0.548 0.867 0.489 CB 1.420 46 residues pruned to eliminate duplicates Z: 32 25.119 1.948 0.683 0.561 0.935 0.484 CB 1.387 32 residues pruned to eliminate duplicates Z: 28 33.135 2.123 0.787 0.663 0.963 0.519 CB 1.501 28 residues pruned to eliminate duplicates Z: 30 29.762 2.109 0.793 0.619 0.931 0.586 CB 1.403 30 residues pruned to eliminate duplicates Z: 44 27.785 1.989 0.588 0.543 0.907 0.535 CB 1.419 44 residues pruned to eliminate duplicates Z: 39 30.559 2.059 0.751 0.577 0.921 0.579 CB 1.386 39 residues pruned to eliminate duplicates Z: 28 29.297 2.111 0.932 0.618 0.889 0.593 CB 1.391 28 residues pruned to eliminate duplicates Z: 47 28.301 1.964 0.687 0.526 0.913 0.565 CB 1.344 47 residues pruned to eliminate duplicates Z: 39 29.222 2.048 0.816 0.561 0.895 0.553 CB 1.342 39 residues pruned to eliminate duplicates Z: 32 31.090 2.089 0.806 0.635 0.935 0.581 CB 1.394 32 residues pruned to eliminate duplicates Z: 42 31.694 2.039 0.700 0.573 0.927 0.561 CB 1.436 42 residues pruned to eliminate duplicates Z: 40 29.199 2.039 0.791 0.603 0.872 0.487 CB 1.331 40 residues pruned to eliminate duplicates Z: 40 27.881 2.066 0.675 0.580 0.872 0.564 CB 1.370 40 residues pruned to eliminate duplicates Z: 48 24.069 1.946 0.625 0.535 0.872 0.447 CB 1.230 48 residues pruned to eliminate duplicates Z: 45 29.802 1.998 0.595 0.568 0.955 0.545 CB 1.382 45 residues pruned to eliminate duplicates Z: 45 24.646 1.970 0.614 0.557 0.864 0.432 CB 1.280 45 residues pruned to eliminate duplicates Z: 28 32.763 2.118 0.848 0.648 0.963 0.444 CB 1.456 28 residues pruned to eliminate duplicates Z: 42 26.143 2.026 0.665 0.556 0.878 0.415 CB 1.305 42 residues pruned to eliminate duplicates Z: 31 31.361 2.066 0.806 0.641 0.967 0.667 CB 1.391 31 residues pruned to eliminate duplicates Z: 27 23.433 1.977 0.417 0.807 0.885 0.808 CA 1.420 27 residues pruned to eliminate duplicates Z: 72 39.140 1.976 0.592 0.612 0.915 0.549 CB 1.450 72 residues pruned to eliminate duplicates Z: 20 22.573 1.981 0.429 0.815 0.947 0.737 CB 1.468 20 residues pruned to eliminate duplicates Z: 37 35.044 2.020 0.659 0.754 0.972 0.778 CB 1.430 37 residues pruned to eliminate duplicates Z: 64 33.156 1.931 0.724 0.565 0.889 0.492 CB 1.326 64 residues pruned to eliminate duplicates Z: 39 36.614 1.990 0.726 0.729 0.974 0.684 CB 1.446 39 residues pruned to eliminate duplicates Z: 32 26.752 2.009 0.496 0.715 0.935 0.613 CB 1.407 32 residues pruned to eliminate duplicates Z: 31 23.997 1.956 0.517 0.713 0.867 0.667 CB 1.404 31 residues pruned to eliminate duplicates Z: 37 35.446 2.003 0.622 0.734 0.972 0.722 CB 1.516 37 residues pruned to eliminate duplicates Z: 58 30.603 1.950 0.299 0.689 0.930 0.667 CB 1.447 58 residues pruned to eliminate duplicates Z: 84 44.323 1.974 0.679 0.624 0.952 0.627 CB 1.373 84 residues pruned to eliminate duplicates Z: 52 40.255 2.091 0.636 0.770 0.882 0.686 CB 1.470 52 residues pruned to eliminate duplicates Z: 32 25.489 1.997 0.492 0.709 0.871 0.677 CB 1.459 32 residues pruned to eliminate duplicates Z: 40 32.390 1.961 0.697 0.707 0.949 0.615 CB 1.361 40 residues pruned to eliminate duplicates Z: 27 39.057 2.091 0.856 0.823 1.000 0.615 CB 1.491 27 residues pruned to eliminate duplicates Z: 60 38.669 2.024 0.645 0.653 0.932 0.644 CB 1.408 60 residues pruned to eliminate duplicates Z: 36 28.862 1.963 0.659 0.703 0.914 0.600 CB 1.361 36 residues pruned to eliminate duplicates Z: 38 31.939 1.973 0.627 0.743 0.946 0.486 CB 1.392 38 residues pruned to eliminate duplicates Z: 56 42.498 2.046 0.729 0.715 0.909 0.527 CB 1.466 56 residues pruned to eliminate duplicates Z: 42 31.694 1.957 0.711 0.669 0.902 0.537 CB 1.402 42 residues pruned to eliminate duplicates Z: 84 40.479 1.988 0.700 0.624 0.904 0.542 CB 1.294 84 residues pruned to eliminate duplicates Z: 41 31.871 1.975 0.685 0.710 0.875 0.575 CB 1.430 41 residues pruned to eliminate duplicates Z: 41 31.021 1.965 0.723 0.654 0.900 0.550 CB 1.395 41 residues pruned to eliminate duplicates Z: 25 23.997 1.963 0.771 0.724 0.833 0.542 CB 1.382 25 residues pruned to eliminate duplicates Z: 69 45.771 2.042 0.751 0.678 0.926 0.515 CB 1.422 69 residues pruned to eliminate duplicates Z: 39 34.515 2.030 0.718 0.718 0.921 0.684 CB 1.430 39 residues pruned to eliminate duplicates Z: 38 38.859 2.049 0.838 0.744 0.946 0.784 CB 1.441 38 residues pruned to eliminate duplicates Z: 82 46.923 2.001 0.798 0.647 0.901 0.580 CB 1.403 82 residues pruned to eliminate duplicates Z: 37 30.027 1.979 0.764 0.660 0.889 0.583 CB 1.391 37 residues pruned to eliminate duplicates Z: 43 31.314 1.959 0.668 0.683 0.905 0.619 CB 1.382 43 residues pruned to eliminate duplicates Z: 42 36.195 1.970 0.823 0.708 0.902 0.537 CB 1.445 42 residues pruned to eliminate duplicates Z: 37 33.709 1.970 0.826 0.741 0.917 0.528 CB 1.373 37 residues pruned to eliminate duplicates Z: 40 32.019 1.949 0.669 0.727 0.949 0.538 CB 1.354 40 residues pruned to eliminate duplicates Z: 44 31.969 1.952 0.828 0.659 0.884 0.535 CB 1.335 44 residues pruned to eliminate duplicates Z: 7 10.221 2.040 0.647 0.770 1.000 1.000 CB 0.978 7 residues pruned to eliminate duplicates Z: 9 9.979 1.955 0.337 0.693 1.000 0.875 CB 1.131 Z: 17 22.105 2.002 0.311 0.853 1.000 0.812 CB 1.557 17 residues pruned to eliminate duplicates Z: 33 24.237 1.944 0.580 0.590 0.969 0.656 CB 1.321 33 residues pruned to eliminate duplicates Z: 16 30.161 2.093 0.758 0.914 1.000 0.933 CB 1.497 16 residues pruned to eliminate duplicates Z: 28 18.495 1.904 0.469 0.596 0.889 0.704 CB 1.306 28 residues pruned to eliminate duplicates Z: 28 29.030 1.970 0.668 0.735 0.963 0.778 CB 1.429 28 residues pruned to eliminate duplicates Z: 28 22.515 1.958 0.372 0.643 1.000 0.630 CB 1.411 28 residues pruned to eliminate duplicates Z: 29 24.382 2.018 0.543 0.644 0.929 0.607 CB 1.392 29 residues pruned to eliminate duplicates Z: 34 23.339 1.952 0.495 0.611 0.970 0.667 CB 1.293 34 residues pruned to eliminate duplicates Z: 31 21.922 2.001 0.499 0.612 0.867 0.667 CB 1.385 31 residues pruned to eliminate duplicates Z: 36 20.817 1.915 0.482 0.551 0.857 0.543 CB 1.376 36 residues pruned to eliminate duplicates Z: 30 26.136 2.037 0.513 0.645 0.966 0.655 CB 1.425 30 residues pruned to eliminate duplicates Z: 30 23.813 2.015 0.583 0.637 0.862 0.724 CB 1.414 30 residues pruned to eliminate duplicates Z: 31 21.324 2.001 0.506 0.576 0.867 0.633 CB 1.385 31 residues pruned to eliminate duplicates Z: 28 23.372 2.012 0.554 0.693 0.815 0.778 CB 1.480 28 residues pruned to eliminate duplicates Z: 74 34.938 1.893 0.721 0.607 0.890 0.493 CB 1.274 83 residues pruned to eliminate duplicates Z: 30 27.315 1.948 0.682 0.612 0.966 0.828 CB 1.442 30 residues pruned to eliminate duplicates Z: 22 25.759 1.992 0.422 0.762 1.000 0.762 CA 1.573 22 residues pruned to eliminate duplicates Z: 27 27.188 2.044 0.489 0.711 0.962 0.808 CB 1.504 27 residues pruned to eliminate duplicates Z: 27 29.609 2.043 0.596 0.727 0.962 0.769 CB 1.509 27 residues pruned to eliminate duplicates Z: 31 24.040 1.910 0.597 0.646 0.933 0.667 CB 1.345 31 residues pruned to eliminate duplicates Z: 30 26.669 2.005 0.636 0.682 0.931 0.724 CB 1.372 30 residues pruned to eliminate duplicates Z: 50 28.726 1.886 0.593 0.604 0.878 0.694 CB 1.410 64 residues pruned to eliminate duplicates Z: 16 26.770 1.971 0.639 0.874 1.000 0.800 CA 1.557 16 residues pruned to eliminate duplicates Z: 26 26.534 1.926 0.571 0.703 0.960 0.640 CB 1.519 26 residues pruned to eliminate duplicates Z: 27 24.811 1.943 0.581 0.659 0.923 0.654 CA 1.480 27 residues pruned to eliminate duplicates Z: 27 24.799 1.879 0.592 0.718 0.923 0.692 CA 1.447 27 residues pruned to eliminate duplicates Z: 27 25.957 1.889 0.592 0.650 0.962 0.615 CB 1.531 27 residues pruned to eliminate duplicates Z: 29 24.926 1.832 0.539 0.691 0.964 0.679 CA 1.455 28 residues pruned to eliminate duplicates Z: 14 14.395 1.881 0.696 0.835 0.769 0.692 CB 1.219 14 residues pruned to eliminate duplicates Z: 28 25.486 1.868 0.680 0.663 0.926 0.593 CA 1.451 28 residues pruned to eliminate duplicates Z: 28 24.411 1.888 0.572 0.650 0.926 0.667 CB 1.486 28 residues pruned to eliminate duplicates Z: 14 23.831 1.945 0.694 0.754 1.000 0.462 CB 1.599 14 residues pruned to eliminate duplicates Z: 30 23.934 1.863 0.696 0.664 0.862 0.552 CB 1.402 30 residues pruned to eliminate duplicates Z: 27 27.660 1.931 0.557 0.698 1.000 0.692 CB 1.505 27 residues pruned to eliminate duplicates Z: 28 22.877 1.836 0.543 0.585 0.963 0.630 CB 1.487 28 residues pruned to eliminate duplicates Z: 29 21.999 1.881 0.518 0.621 0.893 0.714 CA 1.455 29 residues pruned to eliminate duplicates Z: 25 22.611 1.949 0.429 0.619 0.958 0.583 CA 1.544 25 residues pruned to eliminate duplicates Z: 29 24.295 1.912 0.606 0.668 0.857 0.643 CA 1.493 29 residues pruned to eliminate duplicates Z: 27 30.630 1.956 0.692 0.700 0.962 0.654 CA 1.574 28 residues pruned to eliminate duplicates Z: 6 6.832 1.626 0.655 0.428 1.000 0.800 CA 1.224 6 residues pruned to eliminate duplicates Z: 27 30.918 1.931 0.723 0.691 1.000 0.577 CA 1.530 27 residues pruned to eliminate duplicates Z: 14 25.249 2.014 0.616 0.926 1.000 0.538 CB 1.509 14 residues pruned to eliminate duplicates Z: 15 23.287 2.023 0.476 0.862 1.000 0.786 CB 1.531 15 residues pruned to eliminate duplicates Z: 17 19.331 1.972 0.560 0.772 0.812 0.625 CB 1.519 17 residues pruned to eliminate duplicates Z: 18 20.169 1.915 0.585 0.765 0.882 0.706 CB 1.443 18 residues pruned to eliminate duplicates Z: 25 19.522 1.879 0.643 0.648 0.917 0.708 CB 1.227 25 residues pruned to eliminate duplicates Z: 26 19.602 1.843 0.720 0.630 0.880 0.560 CB 1.243 26 residues pruned to eliminate duplicates Z: 46 33.480 2.021 0.639 0.708 0.911 0.600 CB 1.370 46 residues pruned to eliminate duplicates Z: 16 32.413 2.006 0.885 0.885 1.000 0.667 CB 1.599 15 residues pruned to eliminate duplicates Z: 16 22.959 1.910 0.793 0.822 0.933 0.467 CB 1.403 16 residues pruned to eliminate duplicates Z: 20 19.860 1.934 0.701 0.690 0.895 0.526 CB 1.300 20 residues pruned to eliminate duplicates Z: 18 20.439 1.851 0.715 0.711 0.882 0.529 CA 1.461 18 residues pruned to eliminate duplicates Z: 19 22.010 1.936 0.820 0.728 0.889 0.667 CB 1.349 19 residues pruned to eliminate duplicates Z: 17 23.440 1.911 0.760 0.814 0.938 0.750 CB 1.414 17 residues pruned to eliminate duplicates Z: 7 2.665 1.380 0.346 0.320 0.833 0.333 CB 0.858 Z: 22 27.719 1.968 0.720 0.761 0.905 0.667 CA 1.566 34 residues pruned to eliminate duplicates Z: 15 19.673 1.943 0.471 0.759 0.929 0.571 CB 1.573 15 residues pruned to eliminate duplicates Z: 29 28.781 2.010 0.811 0.658 0.929 0.786 CB 1.390 29 residues pruned to eliminate duplicates Z: 29 29.320 2.000 0.754 0.636 0.964 0.679 CB 1.442 29 residues pruned to eliminate duplicates Z: 29 28.028 2.015 0.603 0.641 0.964 0.750 CB 1.491 29 residues pruned to eliminate duplicates Z: 28 27.906 2.033 0.632 0.659 0.963 0.667 CB 1.449 28 residues pruned to eliminate duplicates Z: 29 27.762 2.026 0.627 0.607 0.964 0.750 CB 1.491 29 residues pruned to eliminate duplicates Z: 29 29.224 2.008 0.739 0.625 1.000 0.643 CB 1.406 29 residues pruned to eliminate duplicates Z: 27 26.380 2.048 0.603 0.662 0.923 0.654 CB 1.469 27 residues pruned to eliminate duplicates Z: 29 24.671 2.013 0.606 0.632 0.929 0.679 CB 1.372 29 residues pruned to eliminate duplicates Z: 30 24.512 1.989 0.618 0.634 0.897 0.690 CB 1.391 30 residues pruned to eliminate duplicates Z: 27 26.293 2.004 0.668 0.649 0.962 0.692 CB 1.396 27 residues pruned to eliminate duplicates Z: 27 29.651 1.988 0.811 0.676 0.885 0.577 CA 1.553 27 residues pruned to eliminate duplicates Z: 36 31.889 2.015 0.730 0.655 0.943 0.600 CB 1.419 26 residues pruned to eliminate duplicates Z: 20 28.093 1.966 0.800 0.842 0.947 0.632 CA 1.433 20 residues pruned to eliminate duplicates Z: 16 21.453 2.148 0.829 0.558 1.000 0.667 CB 1.332 16 residues pruned to eliminate duplicates Z: 20 29.043 1.968 0.836 0.875 0.947 0.684 CA 1.416 20 residues pruned to eliminate duplicates Z: 17 14.835 2.097 0.845 0.434 0.812 0.625 CB 1.263 17 residues pruned to eliminate duplicates Z: 26 19.676 2.003 0.842 0.491 0.840 0.520 CB 1.281 26 residues pruned to eliminate duplicates Z: 29 23.311 2.029 0.887 0.452 0.893 0.500 CB 1.354 29 residues pruned to eliminate duplicates Z: 26 18.920 2.075 0.775 0.531 0.840 0.560 CB 1.186 26 residues pruned to eliminate duplicates Z: 50 32.654 2.153 0.848 0.480 0.857 0.531 CB 1.396 79 residues pruned to eliminate duplicates Z: 6 3.257 1.556 0.703 0.228 0.800 0.600 CA 0.945 6 residues pruned to eliminate duplicates Z: 27 20.943 2.018 0.754 0.534 0.885 0.462 CB 1.268 27 residues pruned to eliminate duplicates Z: 11 9.871 2.039 0.719 0.375 0.800 0.500 CB 1.273 11 residues pruned to eliminate duplicates Z: 29 17.456 2.024 0.624 0.510 0.893 0.500 CB 1.113 29 residues pruned to eliminate duplicates Z: 12 10.870 1.980 0.328 0.430 1.000 0.545 CB 1.340 12 residues pruned to eliminate duplicates Z: 19 12.847 1.928 0.552 0.402 0.833 0.611 CB 1.345 19 residues pruned to eliminate duplicates Z: 29 21.246 2.078 0.738 0.505 0.786 0.643 CB 1.407 29 residues pruned to eliminate duplicates Z: 12 22.493 1.981 0.926 0.650 1.000 0.636 CA 1.546 12 residues pruned to eliminate duplicates Z: 12 15.319 2.214 0.730 0.573 0.818 0.455 CA 1.373 12 residues pruned to eliminate duplicates Z: 27 24.504 2.124 0.627 0.596 0.923 0.538 CB 1.375 27 residues pruned to eliminate duplicates Z: 23 21.598 2.060 0.820 0.525 0.864 0.364 CB 1.387 23 residues pruned to eliminate duplicates Z: 30 22.532 2.034 0.617 0.483 0.931 0.552 CB 1.390 30 residues pruned to eliminate duplicates Z: 15 14.054 1.974 0.680 0.410 0.857 0.357 CB 1.451 15 residues pruned to eliminate duplicates Z: 31 25.272 2.035 0.771 0.505 0.933 0.600 CB 1.364 31 residues pruned to eliminate duplicates Z: 23 19.573 2.117 0.600 0.448 0.909 0.409 CB 1.429 23 residues pruned to eliminate duplicates Z: 30 22.315 2.046 0.570 0.508 0.931 0.586 CB 1.374 30 residues pruned to eliminate duplicates Z: 28 28.060 2.134 0.773 0.554 0.926 0.741 CB 1.463 28 residues pruned to eliminate duplicates Z: 28 19.715 2.068 0.628 0.469 0.889 0.556 CB 1.309 28 residues pruned to eliminate duplicates Z: 28 20.051 2.073 0.697 0.507 0.778 0.593 CB 1.401 28 residues pruned to eliminate duplicates Z: 17 14.782 2.028 0.613 0.497 0.938 0.750 CB 1.208 17 residues pruned to eliminate duplicates Z: 18 13.596 1.977 0.588 0.489 0.882 0.647 CB 1.204 16 residues pruned to eliminate duplicates Z: 11 13.114 1.894 0.835 0.515 0.800 0.500 CB 1.469 11 residues pruned to eliminate duplicates Z: 28 24.765 2.128 0.650 0.520 0.889 0.630 CB 1.498 28 residues pruned to eliminate duplicates Z: 18 12.322 1.916 0.585 0.495 0.882 0.706 CB 1.121 18 residues pruned to eliminate duplicates Z: 18 16.124 1.989 0.806 0.493 0.824 0.647 CB 1.331 18 residues pruned to eliminate duplicates Z: 29 21.855 2.077 0.801 0.505 0.821 0.607 CB 1.338 29 residues pruned to eliminate duplicates Z: 27 15.377 2.015 0.574 0.433 0.808 0.500 CB 1.263 27 residues pruned to eliminate duplicates Z: 19 13.991 2.001 0.597 0.454 0.889 0.778 CB 1.217 19 residues pruned to eliminate duplicates Z: 33 17.976 1.985 0.700 0.365 0.781 0.469 CB 1.393 33 residues pruned to eliminate duplicates Z: 17 14.595 1.997 0.632 0.442 0.938 0.688 CB 1.268 17 residues pruned to eliminate duplicates Z: 44 27.126 2.108 0.698 0.474 0.884 0.558 CB 1.343 46 residues pruned to eliminate duplicates Z: 7 10.879 1.988 0.670 0.645 0.833 0.500 CB 1.402 7 residues pruned to eliminate duplicates Z: 25 16.359 2.103 0.592 0.420 0.833 0.542 CB 1.301 29 residues pruned to eliminate duplicates Z: 11 11.697 1.779 0.631 0.753 0.900 0.600 CB 1.131 11 residues pruned to eliminate duplicates Z: 27 19.347 2.094 0.560 0.544 0.885 0.462 CB 1.259 27 residues pruned to eliminate duplicates Z: 10 12.798 1.898 0.620 0.794 0.889 0.556 CB 1.206 10 residues pruned to eliminate duplicates Z: 26 17.985 2.048 0.779 0.500 0.800 0.520 CB 1.235 26 residues pruned to eliminate duplicates Z: 39 21.475 2.037 0.756 0.469 0.737 0.500 CB 1.363 39 residues pruned to eliminate duplicates Z: 53 29.626 2.039 0.746 0.485 0.885 0.577 CB 1.324 52 residues pruned to eliminate duplicates Z: 20 31.476 2.135 0.993 0.836 0.842 0.526 CB 1.509 20 residues pruned to eliminate duplicates Z: 17 17.871 2.134 1.082 0.541 0.750 0.250 CB 1.288 17 residues pruned to eliminate duplicates Z: 18 13.456 2.117 0.743 0.552 0.765 0.353 CB 1.100 18 residues pruned to eliminate duplicates Z: 16 18.839 2.187 0.760 0.480 0.867 0.533 CB 1.487 16 residues pruned to eliminate duplicates Z: 54 26.189 2.051 0.734 0.406 0.830 0.547 CB 1.345 54 residues pruned to eliminate duplicates Z: 28 23.283 2.078 0.887 0.483 0.926 0.481 CB 1.256 28 residues pruned to eliminate duplicates Z: 26 19.437 2.099 0.634 0.504 0.920 0.560 CB 1.227 26 residues pruned to eliminate duplicates Z: 14 10.484 2.003 0.566 0.328 0.769 0.385 CB 1.457 14 residues pruned to eliminate duplicates Z: 15 10.690 1.985 0.676 0.345 0.786 0.357 CB 1.293 18 residues pruned to eliminate duplicates Z: 6 6.224 1.829 0.302 0.294 1.000 0.800 N 1.472 6 residues pruned to eliminate duplicates Z: 13 8.591 1.716 0.289 0.427 0.917 0.583 CB 1.320 13 residues pruned to eliminate duplicates Z: 14 5.848 1.730 0.343 0.342 0.846 0.385 CB 0.980 14 residues pruned to eliminate duplicates Z: 14 7.370 1.771 0.246 0.375 0.846 0.538 CB 1.251 14 residues pruned to eliminate duplicates Z: 8 4.784 1.707 0.340 0.480 0.857 0.571 CB 0.941 8 residues pruned to eliminate duplicates Z: 7 6.720 1.656 0.328 0.764 0.667 0.500 N 1.481 7 residues pruned to eliminate duplicates Z: 11 5.577 1.351 0.380 0.699 0.700 0.400 N 1.127 9 residues pruned to eliminate duplicates Z: 9 8.042 1.476 0.281 0.836 0.875 0.625 CA 1.287 9 residues pruned to eliminate duplicates Z: 21 9.739 1.589 0.338 0.466 0.900 0.550 CB 1.178 31 residues pruned to eliminate duplicates Z: 8 9.060 1.568 0.257 0.875 1.000 0.571 CA 1.264 8 residues pruned to eliminate duplicates Z: 9 8.719 1.597 0.186 0.791 1.000 0.750 CA 1.261 9 residues pruned to eliminate duplicates Z: 10 6.413 1.648 0.458 0.587 0.889 0.111 CB 0.921 10 residues pruned to eliminate duplicates Z: 32 18.756 2.019 0.290 0.558 0.935 0.452 CB 1.307 34 residues pruned to eliminate duplicates Z: 9 9.487 1.664 0.265 0.842 1.000 0.875 CB 1.186 9 residues pruned to eliminate duplicates Z: 9 9.511 1.672 0.464 0.656 0.875 0.750 CA 1.358 9 residues pruned to eliminate duplicates Z: 7 9.577 1.719 0.458 0.835 1.000 0.667 CA 1.169 7 residues pruned to eliminate duplicates Z: 15 14.507 1.759 0.426 0.864 1.000 0.643 CB 1.133 14 residues pruned to eliminate duplicates Z: 12 11.870 1.854 0.143 0.865 1.000 0.727 CB 1.238 12 residues pruned to eliminate duplicates Z: 11 9.488 1.899 0.146 0.713 0.900 0.600 CB 1.263 11 residues pruned to eliminate duplicates Z: 9 6.204 1.940 -0.219 0.667 0.875 0.750 CB 1.418 9 residues pruned to eliminate duplicates Z: 14 9.847 1.885 -0.030 0.771 0.923 0.769 CB 1.272 14 residues pruned to eliminate duplicates Z: 15 10.901 1.850 0.121 0.713 0.929 0.786 CB 1.247 15 residues pruned to eliminate duplicates Z: 15 15.038 1.863 0.417 0.778 1.000 0.857 CB 1.192 15 residues pruned to eliminate duplicates Z: 12 13.616 1.890 0.228 0.922 1.000 1.000 CB 1.244 12 residues pruned to eliminate duplicates Z: 17 13.830 1.798 0.481 0.702 1.000 0.562 CB 1.080 15 residues pruned to eliminate duplicates Z: 13 15.819 1.860 0.483 0.936 1.000 0.917 CB 1.153 13 residues pruned to eliminate duplicates Z: 16 12.738 1.840 0.500 0.736 0.933 0.733 CB 1.034 16 residues pruned to eliminate duplicates Z: 19 10.462 1.684 0.431 0.675 0.833 0.389 CB 1.045 19 residues pruned to eliminate duplicates Z: 18 16.271 1.880 0.294 0.681 0.882 0.588 CA 1.557 18 residues pruned to eliminate duplicates Z: 13 16.351 2.000 0.327 0.794 0.917 0.750 CB 1.500 13 residues pruned to eliminate duplicates Z: 14 17.929 1.983 0.406 0.705 1.000 0.769 CB 1.480 14 residues pruned to eliminate duplicates Z: 29 13.138 1.745 0.353 0.479 0.857 0.536 CB 1.253 29 residues pruned to eliminate duplicates Z: 23 12.703 1.757 0.536 0.526 0.727 0.545 CA 1.345 23 residues pruned to eliminate duplicates Z: 22 12.779 1.856 0.315 0.529 0.762 0.762 CB 1.457 22 residues pruned to eliminate duplicates Z: 22 13.995 1.870 0.326 0.568 0.810 0.619 CB 1.424 22 residues pruned to eliminate duplicates Z: 19 14.998 1.833 0.349 0.602 0.889 0.667 CB 1.460 19 residues pruned to eliminate duplicates Z: 16 18.474 1.925 0.530 0.681 0.933 0.333 CB 1.470 16 residues pruned to eliminate duplicates Z: 18 15.930 1.831 0.508 0.550 0.882 0.412 CB 1.510 18 residues pruned to eliminate duplicates Z: 22 13.303 1.787 0.579 0.493 0.714 0.524 CB 1.450 22 residues pruned to eliminate duplicates Z: 26 18.290 1.810 0.484 0.565 0.880 0.560 CA 1.453 26 residues pruned to eliminate duplicates Z: 22 13.078 1.799 0.397 0.506 0.810 0.476 CB 1.394 22 residues pruned to eliminate duplicates Z: 13 10.329 1.669 0.476 0.547 0.917 0.667 CB 1.261 14 residues pruned to eliminate duplicates Z: 21 16.434 1.562 0.252 0.930 1.000 0.850 CB 1.314 21 residues pruned to eliminate duplicates Z: 16 15.462 1.687 0.387 0.873 0.933 0.933 CA 1.331 16 residues pruned to eliminate duplicates Z: 15 14.577 1.712 0.353 0.860 1.000 1.000 CA 1.236 15 residues pruned to eliminate duplicates Z: 11 12.894 1.700 0.633 0.733 0.900 0.800 CA 1.324 11 residues pruned to eliminate duplicates Z: 19 17.825 1.665 0.617 0.897 0.944 0.722 CB 1.183 19 residues pruned to eliminate duplicates Z: 15 9.321 1.632 0.586 0.532 0.786 0.429 CB 1.187 15 residues pruned to eliminate duplicates Z: 15 16.125 1.735 0.662 0.842 0.929 0.643 CB 1.199 15 residues pruned to eliminate duplicates Z: 15 11.201 1.653 0.407 0.819 0.857 0.500 CB 1.139 15 residues pruned to eliminate duplicates Z: 16 11.259 1.549 0.577 0.734 0.867 0.667 CB 1.113 16 residues pruned to eliminate duplicates Z: 18 11.009 1.574 0.567 0.797 0.882 0.412 CB 0.946 18 residues pruned to eliminate duplicates Z: 9 7.051 1.553 0.656 0.631 0.875 0.500 CB 0.980 9 residues pruned to eliminate duplicates Z: 11 8.508 1.616 0.698 0.462 0.900 0.400 CB 1.133 11 residues pruned to eliminate duplicates Z: 14 8.205 1.540 0.533 0.468 0.846 0.385 CB 1.177 14 residues pruned to eliminate duplicates Z: 9 10.498 1.696 0.766 0.649 1.000 0.500 CB 1.079 9 residues pruned to eliminate duplicates Z: 15 12.353 1.598 0.726 0.530 0.929 0.571 CB 1.252 15 residues pruned to eliminate duplicates Z: 12 12.558 1.581 0.709 0.722 0.909 0.364 N 1.262 12 residues pruned to eliminate duplicates Z: 10 16.278 1.669 0.801 0.916 1.000 0.778 CB 1.274 10 residues pruned to eliminate duplicates Z: 10 13.997 1.685 0.726 0.898 1.000 0.889 CB 1.148 12 residues pruned to eliminate duplicates Z: 21 16.120 1.581 0.679 0.904 0.850 0.500 CB 1.138 21 residues pruned to eliminate duplicates Z: 38 34.574 1.856 0.639 0.763 0.973 0.784 CA 1.521 38 residues pruned to eliminate duplicates Z: 26 26.306 1.928 0.595 0.782 1.000 0.840 CA 1.334 26 residues pruned to eliminate duplicates Z: 33 30.777 1.956 0.495 0.824 0.875 0.750 CA 1.606 33 residues pruned to eliminate duplicates Z: 45 34.534 1.936 0.577 0.743 0.955 0.795 CB 1.436 49 residues pruned to eliminate duplicates Z: 16 23.237 1.923 0.801 0.788 0.867 0.667 CA 1.553 16 residues pruned to eliminate duplicates Z: 41 37.181 1.960 0.579 0.850 0.975 0.775 CB 1.444 41 residues pruned to eliminate duplicates Z: 48 37.575 1.927 0.657 0.789 0.957 0.745 CB 1.391 55 residues pruned to eliminate duplicates Z: 30 29.758 1.939 0.371 0.917 0.966 0.690 CB 1.518 30 residues pruned to eliminate duplicates Z: 40 38.525 1.969 0.776 0.776 0.949 0.744 CB 1.457 40 residues pruned to eliminate duplicates Z: 44 38.015 1.936 0.771 0.790 0.907 0.721 CB 1.445 44 residues pruned to eliminate duplicates Z: 40 39.379 1.976 0.806 0.814 0.923 0.641 CB 1.457 40 residues pruned to eliminate duplicates Z: 43 31.029 1.855 0.716 0.698 0.857 0.595 CB 1.465 43 residues pruned to eliminate duplicates Z: 47 34.717 1.951 0.556 0.787 0.913 0.652 CB 1.435 47 residues pruned to eliminate duplicates Z: 38 44.087 2.019 0.782 0.863 1.000 0.757 CB 1.478 38 residues pruned to eliminate duplicates Z: 44 36.980 1.874 0.718 0.781 0.907 0.628 CB 1.507 44 residues pruned to eliminate duplicates Z: 39 43.002 2.040 0.969 0.779 0.947 0.605 CB 1.434 39 residues pruned to eliminate duplicates Z: 50 36.898 1.894 0.734 0.742 0.918 0.673 CB 1.408 50 residues pruned to eliminate duplicates Z: 39 35.781 1.946 0.865 0.813 0.868 0.447 CB 1.402 39 residues pruned to eliminate duplicates Z: 28 35.633 2.031 0.836 0.841 0.926 0.407 CB 1.480 28 residues pruned to eliminate duplicates Z: 52 33.849 1.861 0.894 0.765 0.882 0.392 CB 1.206 52 residues pruned to eliminate duplicates Z: 35 31.843 1.867 0.828 0.844 0.912 0.441 CB 1.306 35 residues pruned to eliminate duplicates Z: 44 37.178 1.958 0.927 0.732 0.930 0.512 CB 1.311 44 residues pruned to eliminate duplicates Z: 39 33.481 1.907 0.961 0.756 0.842 0.526 CB 1.373 39 residues pruned to eliminate duplicates Z: 51 34.003 1.820 0.895 0.693 0.900 0.480 CB 1.298 51 residues pruned to eliminate duplicates Z: 28 42.003 2.012 1.244 0.876 0.889 0.519 CB 1.463 28 residues pruned to eliminate duplicates Z: 46 34.599 1.902 0.869 0.781 0.867 0.556 CB 1.306 46 residues pruned to eliminate duplicates Z: 22 16.810 1.765 0.778 0.754 0.810 0.476 CB 1.152 22 residues pruned to eliminate duplicates Z: 44 31.929 1.885 0.929 0.755 0.814 0.488 CB 1.312 44 residues pruned to eliminate duplicates Z: 32 30.814 1.876 0.994 0.836 0.871 0.387 CB 1.271 32 residues pruned to eliminate duplicates Z: 50 37.577 1.852 0.835 0.789 0.918 0.551 CB 1.335 50 residues pruned to eliminate duplicates Z: 26 24.227 2.031 0.859 0.511 0.920 0.680 CB 1.380 26 residues pruned to eliminate duplicates Z: 11 18.484 2.106 0.844 0.596 0.800 0.400 CB 1.717 11 residues pruned to eliminate duplicates Z: 26 21.009 2.074 0.805 0.511 0.880 0.560 CB 1.262 26 residues pruned to eliminate duplicates Z: 27 17.230 2.119 0.738 0.507 0.692 0.462 CB 1.316 27 residues pruned to eliminate duplicates Z: 30 23.487 2.050 0.873 0.366 0.828 0.483 CB 1.584 30 residues pruned to eliminate duplicates Z: 26 24.714 2.022 0.807 0.442 0.880 0.480 CB 1.631 26 residues pruned to eliminate duplicates Z: 36 33.779 2.137 0.866 0.539 0.914 0.400 CB 1.508 40 residues pruned to eliminate duplicates Z: 10 5.097 1.427 0.239 0.604 1.000 0.667 CB 0.871 10 residues pruned to eliminate duplicates Z: 14 7.300 1.426 0.440 0.653 0.923 0.615 CB 0.926 14 residues pruned to eliminate duplicates Z: 13 6.754 1.531 0.373 0.557 0.917 0.667 CB 0.957 13 residues pruned to eliminate duplicates Z: 19 10.544 1.527 0.486 0.624 0.889 0.556 CB 1.097 19 residues pruned to eliminate duplicates Z: 17 9.772 1.590 0.338 0.538 0.938 0.562 CB 1.180 17 residues pruned to eliminate duplicates Z: 13 10.570 1.596 0.273 0.721 0.917 0.833 CB 1.341 13 residues pruned to eliminate duplicates Z: 19 9.556 1.568 0.309 0.634 0.833 0.667 CB 1.162 19 residues pruned to eliminate duplicates Z: 17 11.571 1.519 0.406 0.701 0.875 0.562 N 1.289 17 residues pruned to eliminate duplicates Z: 18 9.831 1.584 0.356 0.735 0.882 0.647 CB 1.018 18 residues pruned to eliminate duplicates Z: 16 10.944 1.485 0.372 0.768 1.000 0.533 CB 1.094 16 residues pruned to eliminate duplicates Z: 6 2.733 1.292 0.096 0.534 1.000 0.400 O 0.834 6 residues pruned to eliminate duplicates Z: 15 21.693 1.768 0.876 0.788 1.000 0.929 CB 1.357 Z: 12 29.043 1.970 1.037 0.916 1.000 0.909 CB 1.541 15 residues pruned to eliminate duplicates Z: 11 27.516 2.050 1.006 0.904 1.000 0.900 CB 1.507 11 residues pruned to eliminate duplicates Z: 29 23.606 1.957 0.708 0.566 0.893 0.536 CB 1.403 41 residues pruned to eliminate duplicates Z: 10 26.389 2.126 0.832 0.889 1.000 0.667 CB 1.627 Z: 12 24.449 1.962 1.132 0.876 0.818 0.727 CB 1.564 10 residues pruned to eliminate duplicates Z: 11 26.607 2.078 1.076 0.910 0.900 0.800 CB 1.537 12 residues pruned to eliminate duplicates Z: 11 29.543 2.068 1.194 0.881 1.000 0.800 CB 1.491 11 residues pruned to eliminate duplicates Z: 12 27.564 1.991 1.002 0.856 1.000 0.727 CA 1.538 12 residues pruned to eliminate duplicates Z: 11 26.505 2.096 1.120 0.859 0.900 0.600 CB 1.542 11 residues pruned to eliminate duplicates Z: 13 16.892 2.052 0.942 0.752 0.750 0.667 CB 1.303 13 residues pruned to eliminate duplicates Z: 27 22.261 2.009 0.658 0.670 0.808 0.385 CB 1.387 38 residues pruned to eliminate duplicates Z: 33 26.346 1.935 0.953 0.524 0.844 0.469 CB 1.427 33 residues pruned to eliminate duplicates Z: 32 28.020 1.988 0.780 0.582 0.871 0.516 CB 1.509 32 residues pruned to eliminate duplicates Z: 22 18.198 1.976 0.559 0.501 0.905 0.429 CB 1.424 22 residues pruned to eliminate duplicates Z: 25 17.304 1.909 0.655 0.522 0.875 0.458 CB 1.251 25 residues pruned to eliminate duplicates Z: 34 26.303 1.969 0.747 0.634 0.879 0.576 CB 1.335 34 residues pruned to eliminate duplicates Z: 31 27.534 2.008 0.703 0.589 0.867 0.600 CB 1.557 31 residues pruned to eliminate duplicates Z: 30 29.504 2.024 0.788 0.579 0.897 0.552 CB 1.564 30 residues pruned to eliminate duplicates Z: 23 16.733 1.886 0.540 0.464 0.864 0.500 CB 1.475 23 residues pruned to eliminate duplicates Z: 30 24.212 1.967 0.741 0.566 0.828 0.448 CB 1.488 30 residues pruned to eliminate duplicates Z: 26 16.439 1.942 0.494 0.502 0.800 0.520 CB 1.414 26 residues pruned to eliminate duplicates Z: 32 24.659 1.946 0.685 0.581 0.871 0.484 CB 1.435 32 residues pruned to eliminate duplicates Z: 32 21.587 1.928 0.568 0.573 0.839 0.516 CB 1.425 32 residues pruned to eliminate duplicates Z: 24 21.272 1.967 0.601 0.541 0.870 0.522 CB 1.555 24 residues pruned to eliminate duplicates Z: 12 15.375 1.973 0.429 0.789 0.909 0.727 CA 1.403 12 residues pruned to eliminate duplicates Z: 33 24.638 1.944 0.622 0.576 0.875 0.594 CB 1.467 33 residues pruned to eliminate duplicates Z: 36 23.910 1.910 0.662 0.541 0.829 0.343 CB 1.476 36 residues pruned to eliminate duplicates Z: 27 18.806 1.896 0.555 0.529 0.846 0.462 CB 1.437 27 residues pruned to eliminate duplicates Z: 34 28.065 2.019 0.704 0.655 0.909 0.576 CB 1.352 34 residues pruned to eliminate duplicates Z: 15 30.525 2.155 0.978 0.778 1.000 0.714 CB 1.497 15 residues pruned to eliminate duplicates Z: 50 52.579 2.226 0.874 0.771 0.878 0.755 CB 1.614 50 residues pruned to eliminate duplicates Z: 59 61.115 2.245 0.852 0.795 0.931 0.741 CB 1.601 59 residues pruned to eliminate duplicates Z: 61 56.415 2.208 0.812 0.758 0.900 0.733 CB 1.608 61 residues pruned to eliminate duplicates Z: 53 54.298 2.197 0.900 0.726 0.923 0.673 CB 1.594 53 residues pruned to eliminate duplicates Z: 46 60.605 2.266 0.940 0.795 0.956 0.800 CB 1.660 46 residues pruned to eliminate duplicates Z: 59 60.995 2.231 0.814 0.775 0.983 0.724 CB 1.579 59 residues pruned to eliminate duplicates Z: 61 59.625 2.210 0.873 0.778 0.933 0.633 CB 1.559 61 residues pruned to eliminate duplicates Z: 54 46.510 2.168 0.737 0.708 0.887 0.717 CA 1.584 54 residues pruned to eliminate duplicates Z: 65 57.926 2.205 0.934 0.701 0.906 0.641 CB 1.559 65 residues pruned to eliminate duplicates Z: 38 42.496 2.238 0.990 0.665 0.838 0.703 CB 1.607 38 residues pruned to eliminate duplicates Z: 61 59.830 2.227 0.926 0.763 0.900 0.733 CB 1.584 61 residues pruned to eliminate duplicates Z: 60 58.276 2.221 0.861 0.764 0.898 0.763 CB 1.617 60 residues pruned to eliminate duplicates Z: 38 51.909 2.314 1.164 0.708 0.919 0.730 CB 1.536 38 residues pruned to eliminate duplicates Z: 81 57.827 2.221 0.833 0.637 0.913 0.600 CB 1.532 59 residues pruned to eliminate duplicates Z: 31 33.160 2.126 0.429 0.911 0.967 0.900 CA 1.460 31 residues pruned to eliminate duplicates Z: 62 60.187 2.205 0.850 0.774 0.967 0.705 CB 1.533 62 residues pruned to eliminate duplicates Z: 58 68.908 2.269 1.039 0.792 0.965 0.754 CB 1.583 58 residues pruned to eliminate duplicates Z: 59 64.257 2.247 0.983 0.780 0.931 0.690 CB 1.589 59 residues pruned to eliminate duplicates Z: 50 62.603 2.226 1.108 0.736 0.959 0.776 CB 1.608 50 residues pruned to eliminate duplicates Z: 46 57.414 2.253 0.992 0.781 0.956 0.756 CB 1.558 46 residues pruned to eliminate duplicates Z: 115 65.703 2.202 0.815 0.631 0.912 0.640 CB 1.492 83 residues pruned to eliminate duplicates Z: 31 51.829 2.209 0.816 0.930 1.000 0.833 CA 1.649 31 residues pruned to eliminate duplicates Z: 61 61.771 2.230 0.969 0.766 0.933 0.650 CB 1.537 61 residues pruned to eliminate duplicates Z: 62 59.143 2.170 0.904 0.748 0.934 0.656 CB 1.571 62 residues pruned to eliminate duplicates Z: 62 62.481 2.267 0.977 0.745 0.918 0.705 CB 1.561 62 residues pruned to eliminate duplicates Z: 58 60.051 2.205 1.029 0.720 0.930 0.667 CB 1.567 58 residues pruned to eliminate duplicates Z: 47 41.621 2.158 1.015 0.624 0.870 0.500 CB 1.444 47 residues pruned to eliminate duplicates Z: 67 60.888 2.182 0.954 0.706 0.939 0.682 CB 1.551 67 residues pruned to eliminate duplicates Z: 44 49.977 2.151 0.911 0.749 0.930 0.581 CB 1.596 44 residues pruned to eliminate duplicates Z: 50 40.751 2.126 0.887 0.593 0.939 0.571 CB 1.414 103 residues pruned to eliminate duplicates Z: 39 55.677 2.251 1.157 0.764 0.974 0.579 CB 1.511 39 residues pruned to eliminate duplicates Z: 49 56.540 2.218 0.936 0.790 0.938 0.771 CB 1.571 49 residues pruned to eliminate duplicates Z: 43 54.236 2.158 1.077 0.780 0.881 0.690 CB 1.655 43 residues pruned to eliminate duplicates Z: 34 47.537 2.224 0.910 0.801 0.939 0.758 CB 1.595 34 residues pruned to eliminate duplicates Z: 44 66.075 2.297 1.081 0.819 1.000 0.767 CB 1.598 44 residues pruned to eliminate duplicates Z: 59 67.417 2.252 1.123 0.772 0.931 0.638 CB 1.564 59 residues pruned to eliminate duplicates Z: 65 65.023 2.203 1.039 0.767 0.938 0.641 CB 1.524 65 residues pruned to eliminate duplicates Z: 63 61.591 2.223 1.115 0.755 0.903 0.452 CB 1.468 63 residues pruned to eliminate duplicates Z: 63 59.943 2.202 1.033 0.750 0.903 0.516 CB 1.506 63 residues pruned to eliminate duplicates Z: 61 59.793 2.206 1.066 0.700 0.967 0.533 CB 1.460 61 residues pruned to eliminate duplicates Z: 59 55.850 2.191 1.057 0.715 0.931 0.483 CB 1.438 59 residues pruned to eliminate duplicates Z: 62 66.047 2.222 1.079 0.771 0.967 0.508 CB 1.489 62 residues pruned to eliminate duplicates Z: 16 22.557 2.100 0.796 0.743 0.867 0.600 CB 1.434 16 residues pruned to eliminate duplicates Z: 12 24.823 2.238 0.787 0.797 0.909 0.636 CB 1.587 12 residues pruned to eliminate duplicates Z: 13 19.239 2.133 0.866 0.761 0.917 0.667 CB 1.207 13 residues pruned to eliminate duplicates Z: 18 18.318 2.007 0.687 0.630 0.882 0.588 CB 1.316 18 residues pruned to eliminate duplicates Z: 15 21.493 2.118 0.709 0.715 0.857 0.643 CB 1.525 15 residues pruned to eliminate duplicates Z: 16 22.119 2.077 0.842 0.667 0.867 0.667 CB 1.476 16 residues pruned to eliminate duplicates Z: 48 56.925 2.217 1.150 0.775 0.894 0.596 CB 1.529 48 residues pruned to eliminate duplicates Z: 17 23.883 1.967 0.976 0.734 0.875 0.750 CB 1.423 17 residues pruned to eliminate duplicates Z: 16 20.727 2.042 0.780 0.672 0.867 0.667 CB 1.450 16 residues pruned to eliminate duplicates Z: 13 29.173 2.164 1.100 0.773 0.917 0.583 CB 1.588 13 residues pruned to eliminate duplicates Z: 66 62.599 2.206 1.133 0.732 0.892 0.585 CB 1.501 66 residues pruned to eliminate duplicates Z: 64 35.884 2.177 0.707 0.500 0.841 0.556 CB 1.446 64 residues pruned to eliminate duplicates Z: 16 29.176 2.015 0.923 0.795 1.000 0.800 CB 1.501 16 residues pruned to eliminate duplicates Z: 112 68.766 2.214 0.956 0.619 0.928 0.523 CB 1.452 112 residues pruned to eliminate duplicates Z: 12 18.649 1.746 1.101 0.689 0.909 0.364 CA 1.418 12 residues pruned to eliminate duplicates Z: 70 57.195 2.180 1.014 0.682 0.913 0.507 CB 1.453 70 residues pruned to eliminate duplicates Z: 58 29.376 2.135 0.599 0.473 0.877 0.474 CB 1.334 58 residues pruned to eliminate duplicates Z: 60 38.524 2.171 0.808 0.480 0.915 0.508 CB 1.425 52 residues pruned to eliminate duplicates Z: 12 29.588 2.002 0.864 0.888 1.000 0.455 CA 1.723 12 residues pruned to eliminate duplicates Z: 121 59.093 2.197 0.740 0.595 0.867 0.575 CB 1.488 63 residues pruned to eliminate duplicates Z: 12 20.512 1.969 0.750 0.818 0.818 0.545 CA 1.665 12 residues pruned to eliminate duplicates Z: 118 62.641 2.186 0.787 0.600 0.889 0.675 CB 1.516 117 residues pruned to eliminate duplicates Z: 11 25.686 2.184 0.810 0.854 0.900 0.400 CA 1.686 11 residues pruned to eliminate duplicates Z: 14 18.777 2.127 0.768 0.654 0.846 0.615 CB 1.418 14 residues pruned to eliminate duplicates Z: 30 26.354 2.160 0.503 0.649 0.931 0.621 CB 1.410 30 residues pruned to eliminate duplicates Z: 29 31.083 2.225 0.655 0.645 0.893 0.500 CB 1.559 29 residues pruned to eliminate duplicates Z: 55 32.226 2.198 0.627 0.465 0.870 0.537 CB 1.459 55 residues pruned to eliminate duplicates Z: 102 57.327 2.194 0.779 0.611 0.881 0.653 CB 1.493 102 residues pruned to eliminate duplicates Z: 54 31.778 2.232 0.689 0.468 0.849 0.547 CB 1.409 54 residues pruned to eliminate duplicates Z: 54 32.207 2.185 0.655 0.498 0.849 0.509 CB 1.443 60 residues pruned to eliminate duplicates Z: 52 30.371 2.229 0.583 0.486 0.863 0.451 CB 1.417 52 residues pruned to eliminate duplicates Z: 54 34.066 2.157 0.606 0.492 0.887 0.528 CB 1.536 55 residues pruned to eliminate duplicates Z: 12 28.615 2.146 0.721 0.887 1.000 1.000 CA 1.685 12 residues pruned to eliminate duplicates Z: 57 30.798 2.134 0.697 0.460 0.857 0.393 CB 1.381 57 residues pruned to eliminate duplicates Z: 63 33.688 2.155 0.681 0.478 0.855 0.613 CB 1.412 65 residues pruned to eliminate duplicates Z: 11 28.951 2.195 0.689 0.886 1.000 0.900 CB 1.782 11 residues pruned to eliminate duplicates Z: 31 23.596 2.139 0.553 0.632 0.833 0.633 CB 1.374 31 residues pruned to eliminate duplicates Z: 35 24.398 2.165 0.699 0.436 0.882 0.471 CB 1.377 35 residues pruned to eliminate duplicates Z: 42 27.871 2.263 0.708 0.423 0.854 0.561 CB 1.429 42 residues pruned to eliminate duplicates Z: 54 32.664 2.212 0.656 0.481 0.887 0.453 CB 1.408 52 residues pruned to eliminate duplicates Z: 11 24.009 2.442 0.703 0.760 0.900 0.500 CB 1.610 11 residues pruned to eliminate duplicates Z: 118 60.197 2.191 0.721 0.600 0.915 0.650 CB 1.466 118 residues pruned to eliminate duplicates Z: 27 16.710 2.147 0.613 0.321 0.846 0.462 CB 1.361 27 residues pruned to eliminate duplicates Z: 53 28.183 2.134 0.751 0.358 0.885 0.500 CB 1.377 53 residues pruned to eliminate duplicates Z: 51 26.561 2.165 0.683 0.458 0.780 0.380 CB 1.380 51 residues pruned to eliminate duplicates Z: 53 32.425 2.139 0.755 0.453 0.904 0.442 CB 1.390 53 residues pruned to eliminate duplicates Z: 28 15.418 2.140 0.663 0.292 0.778 0.407 CB 1.353 28 residues pruned to eliminate duplicates Z: 63 35.998 2.145 0.771 0.474 0.903 0.452 CB 1.368 64 residues pruned to eliminate duplicates Z: 6 2.012 1.624 0.360 0.237 0.800 0.600 CB 0.690 6 residues pruned to eliminate duplicates Z: 20 15.319 2.191 0.591 0.317 0.895 0.421 CB 1.379 20 residues pruned to eliminate duplicates Z: 56 32.304 2.160 0.651 0.488 0.855 0.564 CB 1.445 56 residues pruned to eliminate duplicates Z: 55 34.620 2.200 0.787 0.486 0.833 0.370 CB 1.459 55 residues pruned to eliminate duplicates Z: 52 27.053 2.188 0.606 0.462 0.843 0.529 CB 1.330 52 residues pruned to eliminate duplicates Z: 54 33.268 2.231 0.726 0.478 0.868 0.528 CB 1.399 53 residues pruned to eliminate duplicates Z: 7 13.379 2.160 0.738 0.661 0.833 0.833 CB 1.504 7 residues pruned to eliminate duplicates Z: 44 29.716 2.216 0.788 0.439 0.884 0.535 CB 1.379 44 residues pruned to eliminate duplicates Z: 54 35.195 2.215 0.721 0.499 0.887 0.472 CB 1.431 54 residues pruned to eliminate duplicates Z: 7 17.494 2.232 1.070 0.528 1.000 0.500 CA 1.504 7 residues pruned to eliminate duplicates Z: 24 15.870 2.082 0.471 0.293 0.913 0.478 CB 1.493 24 residues pruned to eliminate duplicates Z: 20 17.282 2.190 0.750 0.356 0.842 0.474 CB 1.434 20 residues pruned to eliminate duplicates Z: 54 35.746 2.229 0.722 0.510 0.887 0.528 CB 1.429 54 residues pruned to eliminate duplicates Z: 8 5.661 1.765 0.278 0.348 1.000 0.429 CA 1.119 8 residues pruned to eliminate duplicates Z: 54 33.620 2.198 0.647 0.494 0.906 0.491 CB 1.417 54 residues pruned to eliminate duplicates Z: 26 19.206 2.204 0.550 0.346 0.920 0.520 CB 1.445 26 residues pruned to eliminate duplicates Z: 20 15.235 2.225 0.347 0.375 0.895 0.368 CB 1.489 20 residues pruned to eliminate duplicates Z: 10 5.911 1.481 0.465 0.540 0.778 0.667 CA 1.122 8 residues pruned to eliminate duplicates Z: 8 7.108 1.817 0.698 0.460 0.857 0.286 CB 1.058 8 residues pruned to eliminate duplicates Z: 11 6.797 1.626 0.538 0.526 1.000 0.200 CB 0.838 11 residues pruned to eliminate duplicates Z: 30 13.758 1.881 0.487 0.446 0.931 0.621 CB 1.037 30 residues pruned to eliminate duplicates Z: 42 15.880 1.935 0.438 0.473 0.805 0.659 CB 1.138 42 residues pruned to eliminate duplicates Z: 16 11.134 2.016 0.470 0.551 0.867 0.600 CB 1.066 16 residues pruned to eliminate duplicates Z: 38 16.500 1.863 0.451 0.514 0.838 0.595 CB 1.181 38 residues pruned to eliminate duplicates Z: 31 15.532 1.936 0.403 0.483 0.867 0.567 CB 1.225 31 residues pruned to eliminate duplicates Z: 26 12.323 1.951 0.357 0.511 0.880 0.720 CB 1.046 26 residues pruned to eliminate duplicates Z: 13 6.926 1.862 0.754 0.320 0.833 0.500 CB 0.897 13 residues pruned to eliminate duplicates Z: 65 28.213 1.982 0.463 0.504 0.891 0.625 CB 1.359 65 residues pruned to eliminate duplicates Z: 70 30.420 1.990 0.618 0.521 0.884 0.638 CB 1.260 70 residues pruned to eliminate duplicates Z: 24 18.623 1.942 0.460 0.519 1.000 0.652 CB 1.344 24 residues pruned to eliminate duplicates Z: 80 31.834 1.959 0.631 0.487 0.911 0.557 CB 1.247 80 residues pruned to eliminate duplicates Z: 20 5.958 1.697 0.464 0.219 0.684 0.474 CB 1.118 20 residues pruned to eliminate duplicates Z: 32 17.936 1.926 0.540 0.515 0.903 0.742 CB 1.184 32 residues pruned to eliminate duplicates Z: 35 15.714 1.885 0.453 0.398 0.882 0.588 CB 1.241 35 residues pruned to eliminate duplicates Z: 34 13.874 1.959 0.322 0.490 0.909 0.667 CB 1.036 34 residues pruned to eliminate duplicates Z: 74 32.625 1.986 0.645 0.489 0.945 0.534 CB 1.250 74 residues pruned to eliminate duplicates Z: 65 30.485 1.969 0.608 0.498 0.922 0.656 CB 1.308 65 residues pruned to eliminate duplicates Z: 16 9.336 1.916 0.261 0.483 0.800 0.733 CB 1.269 16 residues pruned to eliminate duplicates Z: 15 8.443 1.783 0.157 0.501 0.857 0.571 CB 1.275 15 residues pruned to eliminate duplicates Z: 15 8.810 1.753 0.184 0.466 0.857 0.429 CB 1.371 15 residues pruned to eliminate duplicates Z: 25 11.388 1.872 0.389 0.418 0.875 0.708 CB 1.113 25 residues pruned to eliminate duplicates Z: 22 12.308 1.869 0.401 0.374 0.905 0.571 CB 1.296 22 residues pruned to eliminate duplicates Z: 28 12.403 1.905 0.395 0.374 0.815 0.556 CB 1.261 28 residues pruned to eliminate duplicates Z: 26 10.585 1.859 0.269 0.435 0.880 0.480 CB 1.092 26 residues pruned to eliminate duplicates Z: 35 14.828 1.893 0.379 0.447 0.853 0.618 CB 1.205 35 residues pruned to eliminate duplicates Z: 14 11.588 1.800 0.475 0.588 0.846 0.692 CB 1.316 14 residues pruned to eliminate duplicates Z: 42 17.288 1.808 0.650 0.506 0.854 0.341 CB 1.055 39 residues pruned to eliminate duplicates Z: 6 4.152 1.316 0.369 0.432 1.000 0.400 CA 1.106 6 residues pruned to eliminate duplicates Z: 73 31.815 1.962 0.708 0.546 0.903 0.528 CB 1.184 73 residues pruned to eliminate duplicates Z: 70 36.490 2.018 0.710 0.551 0.986 0.609 CB 1.228 82 residues pruned to eliminate duplicates Z: 6 3.358 1.480 0.573 0.339 0.800 0.400 CB 0.961 6 residues pruned to eliminate duplicates Z: 72 31.009 1.995 0.568 0.538 0.930 0.634 CB 1.219 72 residues pruned to eliminate duplicates Z: 53 29.395 1.984 0.672 0.553 0.865 0.615 CB 1.348 53 residues pruned to eliminate duplicates Z: 6 3.922 1.436 0.879 0.299 1.000 0.800 CA 0.814 6 residues pruned to eliminate duplicates Z: 43 30.500 1.982 0.811 0.627 0.905 0.667 CB 1.286 43 residues pruned to eliminate duplicates Z: 36 16.287 1.896 0.536 0.423 0.829 0.571 CB 1.236 36 residues pruned to eliminate duplicates Z: 73 27.464 1.971 0.620 0.470 0.847 0.583 CB 1.234 73 residues pruned to eliminate duplicates Z: 54 26.651 1.929 0.673 0.464 0.868 0.566 CB 1.355 54 residues pruned to eliminate duplicates Z: 59 32.530 2.027 0.656 0.521 0.914 0.603 CB 1.364 59 residues pruned to eliminate duplicates Z: 35 22.408 1.968 0.709 0.527 0.882 0.618 CB 1.260 35 residues pruned to eliminate duplicates Z: 61 28.033 2.014 0.600 0.542 0.900 0.700 CB 1.197 61 residues pruned to eliminate duplicates Z: 32 29.681 1.994 0.826 0.574 0.968 0.742 CB 1.409 32 residues pruned to eliminate duplicates Z: 47 34.337 2.018 0.815 0.571 0.935 0.587 CB 1.380 47 residues pruned to eliminate duplicates Z: 32 34.460 2.010 0.866 0.585 0.968 0.613 CB 1.572 32 residues pruned to eliminate duplicates Z: 31 32.953 2.055 0.956 0.611 0.967 0.667 CB 1.395 30 residues pruned to eliminate duplicates Z: 13 27.243 2.004 1.071 0.839 1.000 0.750 CB 1.415 13 residues pruned to eliminate duplicates Z: 63 29.083 1.990 0.695 0.519 0.887 0.581 CB 1.211 63 residues pruned to eliminate duplicates Z: 47 29.072 1.999 0.747 0.525 0.870 0.565 CB 1.377 47 residues pruned to eliminate duplicates Z: 47 31.618 2.018 0.780 0.503 0.913 0.500 CB 1.417 47 residues pruned to eliminate duplicates Z: 28 28.190 2.051 0.986 0.644 0.815 0.593 CB 1.429 28 residues pruned to eliminate duplicates Z: 30 28.637 2.055 0.836 0.574 0.931 0.483 CB 1.410 30 residues pruned to eliminate duplicates Z: 65 27.262 1.995 0.616 0.495 0.859 0.594 CB 1.236 65 residues pruned to eliminate duplicates Z: 42 31.708 1.977 0.903 0.504 0.927 0.512 CB 1.415 42 residues pruned to eliminate duplicates Z: 53 29.072 1.980 0.688 0.513 0.923 0.577 CB 1.291 53 residues pruned to eliminate duplicates Z: 30 34.694 2.042 0.951 0.605 0.966 0.655 CB 1.516 30 residues pruned to eliminate duplicates Z: 63 33.087 1.991 0.716 0.520 0.919 0.484 CB 1.311 63 residues pruned to eliminate duplicates Z: 72 28.760 1.956 0.637 0.473 0.915 0.563 CB 1.196 72 residues pruned to eliminate duplicates Z: 33 28.620 2.002 0.739 0.588 0.906 0.656 CB 1.474 33 residues pruned to eliminate duplicates Z: 55 29.949 1.945 0.832 0.560 0.907 0.500 CB 1.188 55 residues pruned to eliminate duplicates Z: 12 15.031 1.960 0.649 0.382 1.000 0.455 CB 1.591 13 residues pruned to eliminate duplicates Z: 6 5.257 1.796 0.735 0.396 1.000 1.000 CA 0.841 6 residues pruned to eliminate duplicates Z: 43 33.671 2.019 0.761 0.540 0.976 0.714 CB 1.440 43 residues pruned to eliminate duplicates Z: 52 26.145 1.949 0.754 0.504 0.863 0.510 CB 1.237 52 residues pruned to eliminate duplicates Z: 30 28.585 2.037 0.843 0.585 0.931 0.414 CB 1.400 30 residues pruned to eliminate duplicates Z: 72 32.627 2.004 0.720 0.522 0.887 0.606 CB 1.239 72 residues pruned to eliminate duplicates Z: 30 33.489 2.078 0.881 0.588 0.966 0.690 CB 1.515 30 residues pruned to eliminate duplicates Z: 30 32.514 2.045 0.844 0.603 1.000 0.690 CB 1.451 30 residues pruned to eliminate duplicates Z: 15 20.943 1.947 0.751 0.763 0.929 0.786 CB 1.400 15 residues pruned to eliminate duplicates Z: 18 21.951 1.985 0.955 0.564 0.882 0.529 CB 1.461 18 residues pruned to eliminate duplicates Z: 102 75.504 2.263 0.905 0.582 0.950 0.663 CB 1.694 102 residues pruned to eliminate duplicates Z: 14 16.531 2.085 0.634 0.681 0.846 0.692 CB 1.346 14 residues pruned to eliminate duplicates Z: 16 18.327 1.967 0.617 0.623 0.933 0.600 CB 1.420 16 residues pruned to eliminate duplicates Z: 10 20.323 2.120 0.911 0.858 0.889 0.778 CB 1.385 10 residues pruned to eliminate duplicates Z: 62 43.633 2.219 0.756 0.437 0.918 0.541 CB 1.667 62 residues pruned to eliminate duplicates Z: 34 34.939 2.155 0.642 0.606 0.939 0.515 CB 1.654 34 residues pruned to eliminate duplicates Z: 99 68.285 2.246 0.910 0.571 0.898 0.612 CB 1.673 99 residues pruned to eliminate duplicates Z: 64 38.753 2.192 0.747 0.430 0.857 0.587 CB 1.599 64 residues pruned to eliminate duplicates Z: 102 71.421 2.261 0.859 0.596 0.921 0.574 CB 1.674 102 residues pruned to eliminate duplicates Z: 43 37.659 2.235 0.782 0.560 0.857 0.571 CB 1.606 43 residues pruned to eliminate duplicates Z: 57 28.923 2.156 0.535 0.349 0.875 0.482 CB 1.571 57 residues pruned to eliminate duplicates Z: 146 85.331 2.214 0.877 0.644 0.917 0.710 CB 1.626 210 residues pruned to eliminate duplicates Z: 16 17.368 1.883 0.319 0.678 1.000 0.733 CA 1.533 16 residues pruned to eliminate duplicates Z: 47 28.186 2.182 0.558 0.390 0.870 0.609 CB 1.579 47 residues pruned to eliminate duplicates Z: 28 21.112 2.072 0.535 0.503 0.815 0.630 CB 1.563 28 residues pruned to eliminate duplicates Z: 53 37.570 2.237 0.742 0.425 0.885 0.596 CB 1.634 53 residues pruned to eliminate duplicates Z: 35 32.452 2.150 0.637 0.591 0.882 0.647 CB 1.643 35 residues pruned to eliminate duplicates Z: 111 76.144 2.254 0.821 0.620 0.945 0.645 CB 1.670 120 residues pruned to eliminate duplicates Z: 11 18.376 2.267 0.158 0.870 1.000 0.900 CA 1.616 11 residues pruned to eliminate duplicates Z: 61 41.767 2.204 0.715 0.447 0.917 0.600 CA 1.643 61 residues pruned to eliminate duplicates Z: 73 48.932 2.183 0.768 0.624 0.861 0.653 CB 1.543 73 residues pruned to eliminate duplicates Z: 65 52.760 2.313 0.903 0.479 0.906 0.500 CB 1.689 65 residues pruned to eliminate duplicates Z: 100 75.994 2.298 0.895 0.608 0.919 0.697 CB 1.721 100 residues pruned to eliminate duplicates Z: 34 35.020 2.149 0.670 0.608 0.939 0.667 CB 1.633 34 residues pruned to eliminate duplicates Z: 6 4.566 1.543 0.758 0.402 1.000 1.000 CA 0.835 Z: 7 3.991 1.410 0.477 0.323 1.000 0.667 CA 0.950 13 residues pruned to eliminate duplicates Z: 95 69.633 2.296 0.935 0.581 0.904 0.660 CB 1.653 95 residues pruned to eliminate duplicates Z: 60 40.683 2.245 0.618 0.470 0.915 0.475 CB 1.643 60 residues pruned to eliminate duplicates Z: 62 41.483 2.230 0.636 0.477 0.918 0.508 CB 1.624 62 residues pruned to eliminate duplicates Z: 61 44.827 2.237 0.831 0.464 0.883 0.533 CB 1.659 61 residues pruned to eliminate duplicates Z: 121 72.115 2.193 0.780 0.633 0.942 0.692 CB 1.580 121 residues pruned to eliminate duplicates Z: 37 30.034 2.178 0.711 0.491 0.889 0.528 CB 1.524 37 residues pruned to eliminate duplicates Z: 103 72.980 2.236 0.915 0.596 0.941 0.657 CA 1.636 103 residues pruned to eliminate duplicates Z: 62 44.716 2.224 0.836 0.471 0.885 0.574 CB 1.631 62 residues pruned to eliminate duplicates Z: 51 37.448 2.263 0.674 0.424 0.920 0.560 CB 1.644 51 residues pruned to eliminate duplicates Z: 74 64.011 2.254 0.987 0.590 0.932 0.685 CB 1.648 74 residues pruned to eliminate duplicates Z: 63 42.778 2.202 0.765 0.441 0.903 0.532 CB 1.644 63 residues pruned to eliminate duplicates Z: 56 34.045 2.226 0.575 0.413 0.873 0.509 CB 1.644 56 residues pruned to eliminate duplicates Z: 70 62.275 2.277 0.898 0.622 0.928 0.667 CB 1.667 70 residues pruned to eliminate duplicates Z: 52 42.293 2.239 0.780 0.460 0.961 0.510 CB 1.611 52 residues pruned to eliminate duplicates Z: 68 65.727 2.324 0.917 0.641 0.940 0.746 CA 1.680 68 residues pruned to eliminate duplicates Z: 105 66.592 2.209 0.824 0.603 0.923 0.635 CB 1.592 105 residues pruned to eliminate duplicates Z: 61 46.756 2.233 0.794 0.484 0.950 0.617 CB 1.612 61 residues pruned to eliminate duplicates Z: 6 11.246 2.226 0.538 0.389 1.000 0.200 CA 1.652 6 residues pruned to eliminate duplicates Z: 64 44.953 2.219 0.787 0.483 0.921 0.651 CB 1.578 64 residues pruned to eliminate duplicates Z: 108 75.288 2.237 0.845 0.625 0.953 0.645 CB 1.644 108 residues pruned to eliminate duplicates Z: 93 72.044 2.268 0.911 0.604 0.935 0.652 CA 1.679 93 residues pruned to eliminate duplicates Z: 65 49.249 2.317 0.769 0.470 0.906 0.547 CA 1.709 65 residues pruned to eliminate duplicates Z: 61 42.273 2.197 0.755 0.465 0.917 0.583 CB 1.599 61 residues pruned to eliminate duplicates Z: 62 42.168 2.213 0.727 0.491 0.902 0.590 CB 1.581 62 residues pruned to eliminate duplicates Z: 93 66.814 2.260 0.907 0.583 0.891 0.663 CB 1.673 93 residues pruned to eliminate duplicates Z: 101 79.398 2.269 0.979 0.616 0.940 0.590 CB 1.685 101 residues pruned to eliminate duplicates Z: 53 63.265 2.195 1.167 0.723 0.942 0.808 CA 1.600 53 residues pruned to eliminate duplicates Z: 29 26.374 2.220 0.851 0.373 0.893 0.607 CA 1.556 29 residues pruned to eliminate duplicates Z: 65 66.034 2.289 1.205 0.568 0.969 0.656 CB 1.581 65 residues pruned to eliminate duplicates Z: 62 65.056 2.199 1.109 0.740 0.934 0.590 CB 1.550 62 residues pruned to eliminate duplicates Z: 44 71.374 2.317 1.193 0.799 0.977 0.791 CA 1.688 44 residues pruned to eliminate duplicates Z: 96 75.461 2.251 0.976 0.603 0.947 0.589 CB 1.666 96 residues pruned to eliminate duplicates Z: 44 67.437 2.303 1.212 0.803 0.953 0.767 CA 1.625 44 residues pruned to eliminate duplicates Z: 99 75.466 2.282 0.965 0.598 0.929 0.592 CA 1.666 99 residues pruned to eliminate duplicates Z: 39 65.384 2.327 1.349 0.759 0.974 0.737 CB 1.582 39 residues pruned to eliminate duplicates Z: 41 70.904 2.353 1.238 0.778 0.975 0.750 CB 1.709 41 residues pruned to eliminate duplicates Z: 94 76.187 2.270 1.087 0.587 0.914 0.645 CA 1.678 94 residues pruned to eliminate duplicates Z: 55 56.201 2.116 1.164 0.710 0.926 0.722 CB 1.492 55 residues pruned to eliminate duplicates Z: 69 69.036 2.301 1.031 0.627 0.971 0.647 CA 1.638 69 residues pruned to eliminate duplicates Z: 44 74.199 2.304 1.243 0.807 1.000 0.698 CA 1.675 44 residues pruned to eliminate duplicates Z: 50 58.159 2.191 1.070 0.705 0.918 0.673 CB 1.656 50 residues pruned to eliminate duplicates Z: 43 64.128 2.276 1.281 0.771 0.952 0.714 CA 1.575 43 residues pruned to eliminate duplicates Z: 43 77.376 2.314 1.410 0.804 0.976 0.762 CA 1.682 43 residues pruned to eliminate duplicates Z: 45 68.930 2.283 1.204 0.769 0.977 0.659 CA 1.665 45 residues pruned to eliminate duplicates Z: 46 76.198 2.289 1.398 0.771 0.978 0.667 CB 1.665 46 residues pruned to eliminate duplicates Z: 44 63.375 2.227 1.207 0.720 0.930 0.651 CA 1.732 44 residues pruned to eliminate duplicates Z: 45 78.482 2.290 1.424 0.781 1.000 0.523 CB 1.664 45 residues pruned to eliminate duplicates Z: 101 83.165 2.277 1.057 0.613 0.940 0.570 CB 1.696 101 residues pruned to eliminate duplicates Z: 53 50.514 2.114 1.152 0.647 0.865 0.385 CB 1.552 53 residues pruned to eliminate duplicates Z: 27 58.751 2.174 1.298 0.893 1.000 0.654 CA 1.655 27 residues pruned to eliminate duplicates Z: 42 70.245 2.276 1.383 0.727 1.000 0.610 CB 1.648 42 residues pruned to eliminate duplicates Z: 68 67.435 2.318 1.046 0.617 0.955 0.567 CB 1.629 68 residues pruned to eliminate duplicates Z: 58 72.969 2.198 1.170 0.780 0.965 0.526 CB 1.640 58 residues pruned to eliminate duplicates Z: 94 72.151 2.254 1.031 0.577 0.925 0.538 CB 1.640 94 residues pruned to eliminate duplicates Z: 44 70.613 2.270 1.354 0.801 0.930 0.488 CB 1.666 44 residues pruned to eliminate duplicates Z: 48 64.823 2.230 1.331 0.742 0.936 0.511 CB 1.565 48 residues pruned to eliminate duplicates Z: 46 77.690 2.299 1.441 0.774 0.978 0.689 CA 1.656 46 residues pruned to eliminate duplicates Z: 41 70.386 2.247 1.459 0.766 0.950 0.625 CB 1.674 41 residues pruned to eliminate duplicates Z: 71 59.590 2.086 0.985 0.732 0.929 0.557 CB 1.503 71 residues pruned to eliminate duplicates Z: 59 74.115 2.207 1.201 0.785 1.000 0.569 CB 1.559 59 residues pruned to eliminate duplicates Z: 94 78.045 2.267 1.073 0.605 0.925 0.538 CB 1.685 94 residues pruned to eliminate duplicates Z: 43 82.023 2.320 1.517 0.815 0.976 0.643 CB 1.688 43 residues pruned to eliminate duplicates Z: 45 75.478 2.243 1.362 0.814 0.977 0.636 CB 1.672 45 residues pruned to eliminate duplicates Z: 46 80.875 2.272 1.480 0.778 0.978 0.644 CA 1.712 46 residues pruned to eliminate duplicates Z: 45 74.903 2.255 1.344 0.795 0.977 0.568 CA 1.688 45 residues pruned to eliminate duplicates Z: 19 34.181 2.129 1.100 0.837 0.889 0.556 CA 1.515 19 residues pruned to eliminate duplicates Z: 20 40.232 2.016 1.120 0.807 0.947 0.474 CA 1.743 20 residues pruned to eliminate duplicates Z: 45 68.239 2.292 1.415 0.763 0.955 0.500 CB 1.542 45 residues pruned to eliminate duplicates Z: 75 46.628 2.146 0.713 0.531 0.892 0.473 CB 1.604 75 residues pruned to eliminate duplicates Z: 56 69.510 2.211 1.201 0.787 0.945 0.491 CB 1.583 56 residues pruned to eliminate duplicates Z: 82 59.894 2.164 0.931 0.598 0.901 0.617 CB 1.609 82 residues pruned to eliminate duplicates Z: 18 15.806 1.739 0.526 0.687 0.882 0.529 CB 1.379 Z: 40 41.372 2.047 0.947 0.854 0.821 0.359 CB 1.496 58 residues pruned to eliminate duplicates Z: 59 61.113 2.192 1.165 0.750 0.948 0.397 CB 1.427 59 residues pruned to eliminate duplicates Z: 15 14.066 1.831 0.714 0.706 0.857 0.357 CB 1.159 Z: 16 13.483 1.740 0.483 0.746 0.800 0.667 CA 1.353 15 residues pruned to eliminate duplicates Z: 13 18.424 1.913 0.513 0.864 1.000 0.917 CB 1.348 16 residues pruned to eliminate duplicates Z: 12 22.899 2.023 0.611 0.902 1.000 0.727 CB 1.510 13 residues pruned to eliminate duplicates Z: 12 19.206 2.001 0.673 0.886 0.909 0.727 CB 1.373 12 residues pruned to eliminate duplicates Z: 27 24.085 1.917 0.736 0.712 0.808 0.500 CB 1.450 39 residues pruned to eliminate duplicates Z: 10 14.643 1.839 0.485 0.766 1.000 0.778 CA 1.411 Z: 12 17.712 1.981 0.251 0.924 1.000 1.000 CB 1.513 9 residues pruned to eliminate duplicates Z: 12 20.173 1.970 0.488 0.927 1.000 0.909 CB 1.454 13 residues pruned to eliminate duplicates Z: 7 6.761 1.715 0.301 0.556 1.000 0.667 CB 1.171 7 residues pruned to eliminate duplicates Z: 9 9.818 2.024 0.206 0.514 1.000 0.625 CB 1.403 9 residues pruned to eliminate duplicates Z: 6 3.452 1.821 0.647 0.100 0.800 0.600 CA 1.072 6 residues pruned to eliminate duplicates Z: 30 28.096 2.132 0.682 0.561 0.931 0.621 CB 1.472 29 residues pruned to eliminate duplicates Z: 9 18.888 2.073 0.803 0.779 1.000 0.625 CB 1.397 9 residues pruned to eliminate duplicates Z: 27 25.572 2.249 0.742 0.565 0.885 0.577 CB 1.358 27 residues pruned to eliminate duplicates Z: 23 18.918 2.103 0.749 0.442 0.818 0.318 CB 1.422 23 residues pruned to eliminate duplicates Z: 8 18.792 2.072 1.129 0.832 1.000 0.714 CB 1.209 8 residues pruned to eliminate duplicates Z: 14 18.588 2.205 0.705 0.597 0.846 0.462 CB 1.477 14 residues pruned to eliminate duplicates Z: 15 17.234 2.141 0.899 0.569 0.786 0.286 CB 1.349 15 residues pruned to eliminate duplicates Z: 30 25.598 2.151 0.852 0.554 0.897 0.552 CB 1.262 30 residues pruned to eliminate duplicates Z: 29 22.412 2.154 0.647 0.532 0.893 0.571 CB 1.295 29 residues pruned to eliminate duplicates Z: 28 22.851 2.096 0.833 0.556 0.815 0.556 CB 1.331 28 residues pruned to eliminate duplicates Z: 16 18.954 2.132 0.638 0.506 0.933 0.667 CB 1.493 16 residues pruned to eliminate duplicates Z: 13 13.456 1.982 0.773 0.402 0.833 0.500 CB 1.471 13 residues pruned to eliminate duplicates Z: 28 23.043 2.166 0.751 0.561 0.815 0.444 CB 1.353 28 residues pruned to eliminate duplicates Z: 17 10.657 1.782 0.639 0.284 0.938 0.375 CB 1.241 17 residues pruned to eliminate duplicates Z: 12 13.518 1.913 0.602 0.479 0.909 0.636 CB 1.494 12 residues pruned to eliminate duplicates Z: 18 16.437 1.934 0.701 0.462 0.882 0.765 CB 1.428 18 residues pruned to eliminate duplicates Z: 17 17.710 2.101 0.474 0.553 0.938 0.625 CB 1.448 17 residues pruned to eliminate duplicates Z: 18 22.064 1.971 0.753 0.508 1.000 0.765 CB 1.536 18 residues pruned to eliminate duplicates Z: 28 29.616 2.245 0.766 0.562 0.926 0.630 CB 1.462 28 residues pruned to eliminate duplicates Z: 17 21.044 2.113 0.696 0.542 0.938 0.688 CB 1.503 17 residues pruned to eliminate duplicates Z: 28 27.125 2.205 0.837 0.531 0.889 0.519 CB 1.406 28 residues pruned to eliminate duplicates Z: 27 17.551 1.954 0.734 0.351 0.885 0.500 CB 1.349 27 residues pruned to eliminate duplicates Z: 15 17.210 2.023 0.514 0.660 0.929 0.714 CB 1.394 15 residues pruned to eliminate duplicates Z: 17 16.072 1.963 0.560 0.557 0.875 0.562 CB 1.419 17 residues pruned to eliminate duplicates Z: 14 8.398 1.682 0.371 0.315 0.923 0.538 CB 1.342 11 residues pruned to eliminate duplicates Z: 6 4.473 1.446 0.342 0.376 1.000 0.600 CA 1.177 6 residues pruned to eliminate duplicates Z: 19 7.015 1.652 0.217 0.395 0.833 0.556 CB 1.103 19 residues pruned to eliminate duplicates Z: 19 7.368 1.591 0.475 0.412 0.833 0.500 CB 0.973 19 residues pruned to eliminate duplicates Z: 7 7.112 1.854 0.223 0.571 1.000 0.500 CB 1.195 7 residues pruned to eliminate duplicates Z: 23 7.868 1.552 0.272 0.420 0.864 0.636 CB 1.070 32 residues pruned to eliminate duplicates Z: 7 3.305 1.557 0.192 0.785 0.833 0.500 CB 0.679 7 residues pruned to eliminate duplicates Z: 16 7.318 1.692 0.257 0.532 0.867 0.400 CB 0.994 16 residues pruned to eliminate duplicates Z: 7 5.584 1.632 0.348 0.613 1.000 0.667 CB 0.931 7 residues pruned to eliminate duplicates Z: 7 6.463 1.644 0.467 0.659 1.000 0.500 CB 0.945 7 residues pruned to eliminate duplicates Z: 7 8.446 1.600 0.671 0.877 1.000 1.000 CB 0.937 7 residues pruned to eliminate duplicates Z: 8 8.855 1.594 0.703 0.843 1.000 1.000 CB 0.918 8 residues pruned to eliminate duplicates 1078 residues left after pruning, divided into chains as follows: A: 8 B: 6 C: 6 D: 7 E: 7 F: 8 G: 10 H: 28 I: 15 J: 7 K: 12 L: 37 M: 68 N: 12 O: 110 P: 27 Q: 16 R: 74 S: 35 T: 16 U: 26 V: 20 W: 59 X: 46 Y: 117 Z: 10 Z: 70 Z: 152 Z: 12 Z: 39 Z: 18 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 30.22 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.470, Connect. = 0.730 for dens.mod. cycle 1 = 0.300, Contrast = 0.539, Connect. = 0.749 for dens.mod. cycle 2 = 0.300, Contrast = 0.639, Connect. = 0.778 for dens.mod. cycle 3 = 0.300, Contrast = 0.648, Connect. = 0.780 for dens.mod. cycle 4 = 0.300, Contrast = 0.657, Connect. = 0.781 for dens.mod. cycle 5 = 0.300, Contrast = 0.662, Connect. = 0.782 for dens.mod. cycle 6 = 0.300, Contrast = 0.667, Connect. = 0.784 for dens.mod. cycle 7 = 0.300, Contrast = 0.670, Connect. = 0.785 for dens.mod. cycle 8 = 0.300, Contrast = 0.672, Connect. = 0.786 for dens.mod. cycle 9 = 0.300, Contrast = 0.673, Connect. = 0.787 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 7461 peaks > 0.5 sigma used to seed fragment search Space for about 1933 unique residues taking solvent into account 1690 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 30 52.813 2.266 0.864 0.930 0.966 0.862 CA 1.682 B: 15 29.022 2.206 0.751 0.830 0.929 0.714 CA 1.626 C: 12 25.470 2.347 0.555 0.880 1.000 0.727 CA 1.524 14 residues pruned to eliminate duplicates D: 15 25.518 2.223 0.713 0.801 0.857 0.786 CA 1.606 15 residues pruned to eliminate duplicates E: 12 36.955 2.319 1.022 0.912 1.000 0.727 CA 1.683 F: 13 35.405 2.225 0.998 0.928 1.000 0.917 CA 1.610 12 residues pruned to eliminate duplicates G: 29 57.402 2.238 1.054 0.945 0.964 0.857 CA 1.694 31 residues pruned to eliminate duplicates H: 14 34.019 2.231 0.968 0.860 1.000 0.846 CA 1.580 13 residues pruned to eliminate duplicates I: 13 23.868 1.963 0.754 0.825 1.000 0.750 CA 1.511 J: 13 22.603 2.055 0.539 0.851 0.833 0.583 CB 1.833 K: 13 40.512 2.342 1.038 0.901 1.000 0.917 CA 1.749 14 residues pruned to eliminate duplicates L: 22 37.157 2.090 0.992 0.915 0.905 0.429 CB 1.521 21 residues pruned to eliminate duplicates M: 29 41.494 2.044 0.875 0.915 0.964 0.893 CB 1.499 N: 12 26.215 2.128 0.743 0.822 1.000 0.909 CB 1.612 14 residues pruned to eliminate duplicates O: 9 17.561 2.074 0.622 0.773 0.875 0.625 CA 1.657 P: 8 19.003 2.309 0.302 0.914 1.000 1.000 CA 1.689 Q: 13 30.337 2.216 0.819 0.926 1.000 1.000 CA 1.523 13 residues pruned to eliminate duplicates R: 16 26.794 2.124 0.635 0.872 0.933 0.800 CA 1.556 S: 13 42.885 2.272 1.354 0.870 1.000 0.833 CA 1.689 13 residues pruned to eliminate duplicates T: 29 58.149 2.243 1.080 0.935 1.000 0.821 CA 1.641 U: 11 13.207 1.942 0.565 0.738 0.900 0.700 CB 1.233 11 residues pruned to eliminate duplicates V: 32 46.006 2.203 0.671 0.924 0.968 0.903 CA 1.629 32 residues pruned to eliminate duplicates W: 31 46.551 2.218 0.972 0.924 0.933 0.567 CB 1.462 31 residues pruned to eliminate duplicates X: 12 22.437 1.968 0.647 0.886 0.909 0.727 CA 1.656 Y: 16 24.149 1.925 0.767 0.777 1.000 0.600 CA 1.435 16 residues pruned to eliminate duplicates Z: 9 9.685 1.625 0.668 0.867 1.000 0.625 CA 0.924 Z: 18 23.459 1.890 0.494 0.798 1.000 0.765 CB 1.553 Z: 22 52.487 2.293 1.102 0.923 1.000 0.857 CB 1.670 21 residues pruned to eliminate duplicates Z: 16 24.793 2.070 0.783 0.859 0.867 0.733 CB 1.473 Z: 13 26.816 2.017 0.822 0.899 0.917 0.333 CB 1.642 12 residues pruned to eliminate duplicates Z: 32 51.112 2.172 0.962 0.927 0.968 0.548 CB 1.559 32 residues pruned to eliminate duplicates Z: 24 41.840 2.149 0.985 0.881 0.957 0.870 CA 1.548 23 residues pruned to eliminate duplicates Z: 16 20.703 1.958 0.711 0.782 0.867 0.733 CB 1.436 16 residues pruned to eliminate duplicates Z: 14 42.452 2.255 1.221 0.886 1.000 0.846 CB 1.697 14 residues pruned to eliminate duplicates Z: 42 25.193 2.216 0.528 0.449 0.878 0.537 CB 1.393 11 residues pruned to eliminate duplicates Z: 13 43.054 2.200 1.569 0.866 1.000 0.500 CA 1.609 13 residues pruned to eliminate duplicates Z: 8 14.629 2.019 0.547 0.896 0.857 0.714 CA 1.479 Z: 12 21.805 2.145 0.553 0.874 1.000 0.727 CB 1.436 Z: 25 41.787 2.118 0.949 0.877 1.000 0.750 CB 1.501 25 residues pruned to eliminate duplicates Z: 22 34.838 1.984 0.777 0.870 0.952 0.667 CA 1.653 23 residues pruned to eliminate duplicates Z: 25 37.251 2.079 0.830 0.890 1.000 0.875 CA 1.438 26 residues pruned to eliminate duplicates Z: 12 17.825 2.144 0.348 0.833 0.909 0.727 CB 1.534 12 residues pruned to eliminate duplicates Z: 31 37.747 2.201 0.460 0.924 1.000 0.800 CA 1.505 28 residues pruned to eliminate duplicates Z: 23 54.749 2.227 1.177 0.921 1.000 0.727 CA 1.694 24 residues pruned to eliminate duplicates Z: 16 20.495 2.036 0.675 0.890 0.733 0.467 CA 1.522 16 residues pruned to eliminate duplicates Z: 13 21.516 2.098 0.601 0.818 0.917 0.750 CA 1.531 13 residues pruned to eliminate duplicates Z: 28 46.412 2.228 0.900 0.932 0.926 0.778 CA 1.592 28 residues pruned to eliminate duplicates Z: 12 27.005 2.240 0.811 0.926 1.000 0.909 CA 1.408 Z: 9 20.207 2.069 0.920 0.607 1.000 0.500 N 1.624 Z: 12 20.932 2.154 0.589 0.875 0.909 0.909 CA 1.475 12 residues pruned to eliminate duplicates Z: 30 52.591 2.279 0.778 0.943 1.000 0.793 CA 1.670 30 residues pruned to eliminate duplicates Z: 17 22.542 1.822 0.635 0.872 1.000 0.812 CB 1.379 Z: 13 11.464 1.891 0.149 0.770 0.917 0.750 CB 1.308 13 residues pruned to eliminate duplicates Z: 8 19.337 2.119 0.566 0.906 1.000 1.000 CA 1.566 Z: 7 14.444 2.177 0.480 0.874 0.833 0.500 CB 1.599 5 residues pruned to eliminate duplicates Z: 10 26.837 2.424 0.489 0.847 1.000 0.889 CA 1.840 10 residues pruned to eliminate duplicates Z: 13 31.835 2.120 1.013 0.918 1.000 0.667 CA 1.518 12 residues pruned to eliminate duplicates Z: 11 23.118 2.133 0.544 0.870 1.000 0.700 CB 1.620 11 residues pruned to eliminate duplicates Z: 28 45.818 2.240 0.822 0.914 0.963 0.963 CA 1.587 28 residues pruned to eliminate duplicates Z: 31 57.336 2.233 0.897 0.945 1.000 0.767 CB 1.710 31 residues pruned to eliminate duplicates Z: 16 19.267 1.797 0.510 0.864 0.933 0.800 CB 1.440 16 residues pruned to eliminate duplicates Z: 12 22.542 1.866 0.670 0.868 1.000 0.455 CA 1.595 12 residues pruned to eliminate duplicates Z: 51 20.542 1.934 0.524 0.431 0.880 0.400 CB 1.203 Z: 22 14.303 1.974 0.272 0.502 0.857 0.667 CB 1.447 Z: 29 56.267 2.296 0.882 0.959 1.000 0.821 CB 1.686 29 residues pruned to eliminate duplicates Z: 8 24.475 2.240 0.907 0.889 1.000 1.000 CB 1.559 8 residues pruned to eliminate duplicates Z: 30 43.278 2.007 0.774 0.947 1.000 0.828 CA 1.560 29 residues pruned to eliminate duplicates Z: 104 67.324 2.250 0.797 0.592 0.942 0.670 CB 1.596 73 residues pruned to eliminate duplicates Z: 12 34.004 2.320 0.868 0.924 1.000 0.818 CA 1.661 12 residues pruned to eliminate duplicates Z: 13 25.681 2.207 0.493 0.916 1.000 0.917 CB 1.590 13 residues pruned to eliminate duplicates Z: 29 51.664 2.198 0.858 0.939 1.000 0.893 CA 1.661 29 residues pruned to eliminate duplicates Z: 30 57.200 2.271 0.880 0.948 1.000 0.793 CA 1.718 31 residues pruned to eliminate duplicates Z: 31 45.208 2.169 0.934 0.919 0.933 0.567 CB 1.486 32 residues pruned to eliminate duplicates Z: 30 46.145 2.254 0.637 0.927 1.000 0.862 CA 1.627 30 residues pruned to eliminate duplicates Z: 29 35.545 1.959 0.769 0.925 0.964 0.643 CB 1.410 Z: 17 31.291 2.030 0.758 0.901 1.000 0.938 CB 1.565 Z: 14 30.668 2.207 0.736 0.851 1.000 0.769 CA 1.643 14 residues pruned to eliminate duplicates Z: 31 53.778 2.258 0.810 0.921 1.000 0.900 CB 1.690 30 residues pruned to eliminate duplicates Z: 14 43.345 2.229 1.335 0.894 1.000 0.615 CA 1.657 14 residues pruned to eliminate duplicates Z: 14 44.753 2.251 1.387 0.910 1.000 0.769 CA 1.639 14 residues pruned to eliminate duplicates Z: 13 24.323 2.091 0.645 0.876 1.000 0.667 CA 1.483 13 residues pruned to eliminate duplicates Z: 29 52.198 2.108 1.125 0.931 1.000 0.679 CB 1.538 29 residues pruned to eliminate duplicates Z: 17 19.550 1.863 0.319 0.900 1.000 0.812 CA 1.421 16 residues pruned to eliminate duplicates Z: 12 22.861 2.012 0.592 0.909 1.000 0.909 CB 1.527 12 residues pruned to eliminate duplicates Z: 13 26.615 2.102 0.627 0.872 1.000 0.833 CB 1.638 14 residues pruned to eliminate duplicates Z: 11 24.671 2.035 0.760 0.863 1.000 0.500 CB 1.598 11 residues pruned to eliminate duplicates Z: 14 25.134 2.201 0.406 0.931 1.000 1.000 CB 1.574 14 residues pruned to eliminate duplicates Z: 11 27.413 2.234 0.608 0.845 1.000 0.800 CB 1.794 11 residues pruned to eliminate duplicates Z: 13 22.129 1.975 0.716 0.851 0.917 0.667 CA 1.523 13 residues pruned to eliminate duplicates Z: 12 31.079 2.210 1.085 0.875 1.000 0.727 CA 1.479 12 residues pruned to eliminate duplicates Z: 32 57.017 2.194 1.020 0.940 1.000 0.839 CB 1.605 31 residues pruned to eliminate duplicates Z: 17 12.792 1.625 0.278 0.858 0.875 0.562 O 1.295 17 residues pruned to eliminate duplicates Z: 17 26.714 1.982 0.670 0.860 0.938 0.812 CA 1.583 17 residues pruned to eliminate duplicates Z: 23 34.866 2.179 0.791 0.889 0.955 0.864 CA 1.437 23 residues pruned to eliminate duplicates Z: 11 19.571 2.297 0.322 0.877 1.000 0.900 CA 1.480 11 residues pruned to eliminate duplicates Z: 11 8.265 1.728 0.679 0.482 0.800 0.400 CB 1.147 Z: 13 33.984 2.202 1.111 0.927 1.000 0.833 CA 1.478 13 residues pruned to eliminate duplicates Z: 17 20.615 1.861 0.588 0.865 0.875 0.812 CA 1.461 Z: 6 11.723 2.118 0.113 0.764 1.000 0.800 CB 1.760 8 residues pruned to eliminate duplicates Z: 30 52.069 2.178 1.063 0.941 0.966 0.897 CA 1.546 30 residues pruned to eliminate duplicates Z: 13 23.767 2.130 0.786 0.856 1.000 0.833 CA 1.330 13 residues pruned to eliminate duplicates Z: 30 29.105 2.037 0.623 0.674 0.931 0.621 CB 1.496 19 residues pruned to eliminate duplicates Z: 32 44.473 2.157 0.969 0.907 0.903 0.581 CB 1.480 32 residues pruned to eliminate duplicates Z: 36 18.021 1.979 0.502 0.497 0.829 0.571 CB 1.241 Z: 8 19.966 1.916 0.877 0.758 1.000 0.571 CB 1.668 Z: 8 14.061 2.111 0.582 0.875 1.000 0.857 CA 1.157 8 residues pruned to eliminate duplicates Z: 28 39.351 2.000 1.019 0.871 0.926 0.556 CB 1.478 28 residues pruned to eliminate duplicates Z: 61 37.150 2.136 0.763 0.469 0.917 0.383 CB 1.433 54 residues pruned to eliminate duplicates Z: 11 36.149 2.383 1.263 0.915 1.000 0.800 CB 1.498 11 residues pruned to eliminate duplicates Z: 16 22.615 1.926 0.516 0.844 0.933 0.733 CA 1.594 17 residues pruned to eliminate duplicates Z: 15 25.312 1.971 0.627 0.901 1.000 0.857 CB 1.505 16 residues pruned to eliminate duplicates Z: 30 46.560 2.253 0.626 0.946 0.966 0.862 CA 1.691 30 residues pruned to eliminate duplicates Z: 31 40.811 2.082 0.713 0.888 1.000 0.800 CA 1.505 31 residues pruned to eliminate duplicates Z: 22 36.971 2.110 0.874 0.887 0.905 0.714 CA 1.625 22 residues pruned to eliminate duplicates Z: 30 49.799 2.128 0.958 0.938 0.966 0.759 CA 1.598 30 residues pruned to eliminate duplicates Z: 15 31.615 2.207 0.761 0.924 0.929 0.643 CB 1.644 15 residues pruned to eliminate duplicates Z: 15 32.367 2.135 0.889 0.875 0.929 0.929 CA 1.680 15 residues pruned to eliminate duplicates Z: 14 24.565 2.009 1.021 0.829 0.846 0.538 CA 1.492 14 residues pruned to eliminate duplicates Z: 30 30.676 2.114 0.771 0.856 0.793 0.517 CB 1.414 30 residues pruned to eliminate duplicates Z: 17 26.726 2.068 0.594 0.908 1.000 0.812 CB 1.440 17 residues pruned to eliminate duplicates Z: 7 25.783 2.293 0.855 0.884 1.000 1.000 CB 1.788 7 residues pruned to eliminate duplicates Z: 13 25.330 2.009 0.602 0.913 1.000 1.000 CA 1.608 13 residues pruned to eliminate duplicates Z: 31 54.456 2.181 0.938 0.930 1.000 0.533 CB 1.644 31 residues pruned to eliminate duplicates Z: 31 14.957 1.972 0.417 0.507 0.867 0.433 CB 1.119 25 residues pruned to eliminate duplicates Z: 26 31.009 2.099 0.602 0.714 0.960 0.840 CB 1.583 26 residues pruned to eliminate duplicates Z: 44 28.826 2.122 0.646 0.559 0.860 0.326 CB 1.380 44 residues pruned to eliminate duplicates Z: 12 27.593 2.176 1.348 0.897 0.909 0.636 CB 1.282 12 residues pruned to eliminate duplicates Z: 13 34.048 2.116 0.888 0.891 1.000 0.667 CB 1.769 13 residues pruned to eliminate duplicates Z: 15 15.867 1.894 0.347 0.727 0.929 0.857 CB 1.459 9 residues pruned to eliminate duplicates Z: 13 26.805 2.061 0.555 0.901 1.000 0.917 CA 1.722 13 residues pruned to eliminate duplicates Z: 40 18.918 2.101 0.545 0.346 0.821 0.436 CB 1.345 40 residues pruned to eliminate duplicates Z: 31 51.975 2.199 1.084 0.922 0.933 0.400 CB 1.560 32 residues pruned to eliminate duplicates Z: 12 26.369 2.170 0.595 0.892 1.000 1.000 CA 1.650 12 residues pruned to eliminate duplicates Z: 30 47.017 2.255 0.597 0.915 1.000 0.897 CA 1.713 30 residues pruned to eliminate duplicates Z: 8 11.630 2.213 -0.211 0.910 1.000 1.000 CA 1.786 9 residues pruned to eliminate duplicates Z: 14 22.313 2.060 0.543 0.898 0.923 0.846 CB 1.509 Z: 28 46.534 2.162 1.020 0.952 0.963 0.407 CB 1.467 28 residues pruned to eliminate duplicates Z: 12 25.134 2.153 0.935 0.901 0.909 0.818 CA 1.428 12 residues pruned to eliminate duplicates Z: 8 14.523 1.968 0.637 0.831 1.000 0.857 CB 1.281 Z: 7 18.715 2.088 0.780 0.873 1.000 0.833 CB 1.498 8 residues pruned to eliminate duplicates Z: 12 13.889 1.925 0.260 0.852 0.909 0.727 CB 1.405 Z: 23 48.480 2.186 1.198 0.931 0.955 0.727 CB 1.575 23 residues pruned to eliminate duplicates Z: 16 32.242 2.113 0.903 0.865 1.000 0.733 CA 1.517 16 residues pruned to eliminate duplicates Z: 17 19.793 1.787 0.468 0.888 1.000 0.938 CA 1.359 17 residues pruned to eliminate duplicates Z: 24 38.763 2.074 0.941 0.891 0.913 0.783 CB 1.581 Z: 14 26.640 2.039 0.582 0.925 1.000 0.846 CB 1.608 14 residues pruned to eliminate duplicates Z: 51 26.291 1.991 0.491 0.555 0.860 0.500 CB 1.381 35 residues pruned to eliminate duplicates Z: 10 16.227 2.017 0.342 0.913 1.000 0.778 CA 1.414 10 residues pruned to eliminate duplicates Z: 8 13.717 1.829 0.774 0.848 1.000 0.857 CA 1.185 8 residues pruned to eliminate duplicates Z: 18 24.395 2.004 0.510 0.901 0.941 0.882 CA 1.484 18 residues pruned to eliminate duplicates Z: 16 28.283 2.115 0.779 0.927 0.867 0.800 CB 1.570 16 residues pruned to eliminate duplicates Z: 13 26.338 2.050 0.816 0.936 1.000 0.500 CB 1.422 Z: 11 8.592 2.008 0.237 0.559 0.800 0.600 CB 1.291 11 residues pruned to eliminate duplicates Z: 16 21.849 1.927 0.371 0.901 1.000 0.667 CB 1.524 17 residues pruned to eliminate duplicates Z: 9 10.667 1.951 0.386 0.867 0.875 0.625 CA 1.166 9 residues pruned to eliminate duplicates Z: 30 47.075 2.055 0.965 0.906 1.000 0.759 CB 1.540 30 residues pruned to eliminate duplicates Z: 16 23.128 2.098 0.411 0.885 1.000 0.800 CA 1.457 16 residues pruned to eliminate duplicates Z: 30 49.839 2.194 0.927 0.933 0.966 0.828 CA 1.581 30 residues pruned to eliminate duplicates Z: 13 34.821 2.214 0.872 0.940 1.000 0.917 CA 1.685 13 residues pruned to eliminate duplicates Z: 16 28.878 2.113 0.749 0.853 0.933 0.800 CA 1.598 16 residues pruned to eliminate duplicates Z: 23 33.455 1.988 0.746 0.914 0.955 0.773 CB 1.522 23 residues pruned to eliminate duplicates Z: 28 32.909 2.018 0.506 0.901 0.963 0.815 CB 1.545 28 residues pruned to eliminate duplicates Z: 54 33.996 2.219 0.629 0.525 0.868 0.547 CB 1.453 51 residues pruned to eliminate duplicates Z: 14 18.346 1.722 0.661 0.883 0.923 0.923 CA 1.393 14 residues pruned to eliminate duplicates Z: 11 26.775 2.151 0.774 0.911 1.000 0.600 CB 1.572 11 residues pruned to eliminate duplicates Z: 7 7.596 1.887 0.245 0.626 0.833 0.833 CB 1.407 7 residues pruned to eliminate duplicates Z: 13 24.032 1.902 0.964 0.866 1.000 0.750 CB 1.359 13 residues pruned to eliminate duplicates Z: 16 34.172 2.141 0.733 0.937 1.000 0.667 CB 1.655 16 residues pruned to eliminate duplicates Z: 22 31.523 1.906 0.851 0.918 0.952 0.667 CB 1.444 22 residues pruned to eliminate duplicates Z: 28 33.099 2.053 0.666 0.683 0.963 0.630 CB 1.635 26 residues pruned to eliminate duplicates Z: 15 33.102 2.158 0.704 0.908 1.000 0.857 CB 1.708 15 residues pruned to eliminate duplicates Z: 25 37.286 2.230 1.171 0.589 0.875 0.500 CB 1.650 27 residues pruned to eliminate duplicates Z: 7 9.247 1.996 0.098 0.897 1.000 0.667 CA 1.232 7 residues pruned to eliminate duplicates Z: 14 19.372 1.957 0.570 0.846 0.923 0.462 CB 1.407 14 residues pruned to eliminate duplicates Z: 9 17.043 2.019 0.355 0.880 1.000 1.000 CB 1.596 9 residues pruned to eliminate duplicates Z: 10 25.914 2.323 0.688 0.843 1.000 0.778 CA 1.640 10 residues pruned to eliminate duplicates Z: 15 28.596 2.143 0.861 0.878 0.929 0.786 CA 1.498 15 residues pruned to eliminate duplicates Z: 12 24.273 2.169 0.781 0.932 0.909 0.818 CB 1.455 12 residues pruned to eliminate duplicates Z: 9 17.165 1.890 0.873 0.896 1.000 0.750 CB 1.228 Z: 16 23.448 1.988 0.545 0.889 1.000 0.800 CA 1.420 16 residues pruned to eliminate duplicates Z: 14 40.403 2.228 1.249 0.884 1.000 0.615 CB 1.616 14 residues pruned to eliminate duplicates Z: 12 23.187 2.125 0.718 0.864 0.909 0.455 CB 1.543 12 residues pruned to eliminate duplicates Z: 69 27.326 1.965 0.567 0.490 0.838 0.544 CB 1.296 51 residues pruned to eliminate duplicates Z: 26 33.025 2.020 0.591 0.921 1.000 0.520 CB 1.446 26 residues pruned to eliminate duplicates Z: 11 33.033 2.383 0.848 0.924 1.000 0.700 CA 1.665 11 residues pruned to eliminate duplicates Z: 17 29.253 2.033 0.755 0.888 1.000 0.875 CA 1.478 16 residues pruned to eliminate duplicates Z: 16 35.769 2.142 0.755 0.932 1.000 0.667 CB 1.716 16 residues pruned to eliminate duplicates Z: 12 19.086 2.188 0.308 0.905 1.000 0.909 CA 1.431 12 residues pruned to eliminate duplicates Z: 10 17.843 1.948 0.620 0.861 1.000 0.778 CB 1.385 Z: 11 22.239 2.072 0.700 0.888 1.000 0.900 CB 1.438 Z: 22 16.265 1.997 0.485 0.414 0.905 0.524 CB 1.447 21 residues pruned to eliminate duplicates Z: 20 18.715 1.735 0.674 0.748 0.895 0.684 CB 1.324 Z: 21 36.321 2.095 0.850 0.947 0.950 0.700 CB 1.524 21 residues pruned to eliminate duplicates Z: 28 52.412 2.172 1.085 0.924 1.000 0.741 CA 1.563 28 residues pruned to eliminate duplicates Z: 15 32.198 2.167 0.752 0.911 1.000 0.786 CA 1.606 15 residues pruned to eliminate duplicates Z: 16 26.426 2.078 0.619 0.929 0.933 0.800 CB 1.521 16 residues pruned to eliminate duplicates Z: 16 25.587 2.034 0.979 0.903 0.867 0.400 CB 1.350 16 residues pruned to eliminate duplicates Z: 28 51.066 2.190 1.068 0.935 0.926 0.778 CA 1.633 28 residues pruned to eliminate duplicates Z: 38 29.726 2.058 0.655 0.565 0.946 0.622 CB 1.425 38 residues pruned to eliminate duplicates Z: 27 48.634 2.249 0.964 0.951 1.000 0.885 CA 1.488 27 residues pruned to eliminate duplicates Z: 17 29.895 2.068 0.724 0.858 1.000 0.812 CA 1.543 17 residues pruned to eliminate duplicates Z: 13 37.231 2.221 1.102 0.901 1.000 0.667 CA 1.643 13 residues pruned to eliminate duplicates Z: 14 11.284 1.841 0.366 0.526 1.000 0.538 CB 1.213 Z: 10 8.850 1.654 0.341 0.574 1.000 0.333 CA 1.238 10 residues pruned to eliminate duplicates Z: 14 21.021 1.971 0.564 0.891 1.000 0.692 CB 1.359 14 residues pruned to eliminate duplicates Z: 16 23.946 2.125 0.628 0.865 0.867 0.800 CA 1.511 16 residues pruned to eliminate duplicates Z: 13 19.913 1.902 0.433 0.908 1.000 0.417 CA 1.498 Z: 17 19.730 1.848 0.337 0.871 1.000 0.688 CB 1.456 20 residues pruned to eliminate duplicates Z: 24 33.327 2.014 0.682 0.848 1.000 0.783 CB 1.521 24 residues pruned to eliminate duplicates Z: 11 21.363 1.995 0.645 0.872 1.000 0.700 CA 1.500 11 residues pruned to eliminate duplicates Z: 13 25.325 1.924 0.863 0.889 0.917 0.583 CB 1.601 12 residues pruned to eliminate duplicates Z: 66 33.504 2.053 0.669 0.515 0.954 0.615 CB 1.252 73 residues pruned to eliminate duplicates Z: 88 44.846 2.026 0.609 0.656 0.931 0.552 CB 1.370 65 residues pruned to eliminate duplicates Z: 12 8.524 1.984 0.435 0.369 1.000 0.727 CB 1.039 12 residues pruned to eliminate duplicates Z: 16 24.333 2.017 0.497 0.896 1.000 0.867 CA 1.490 16 residues pruned to eliminate duplicates Z: 15 26.288 2.014 0.853 0.905 0.857 0.643 CB 1.563 16 residues pruned to eliminate duplicates Z: 10 18.357 1.840 0.701 0.813 1.000 0.667 CA 1.490 10 residues pruned to eliminate duplicates Z: 13 23.471 1.908 0.888 0.903 0.917 0.833 CA 1.463 13 residues pruned to eliminate duplicates Z: 12 52.449 2.543 1.411 0.924 1.000 0.727 CA 1.812 12 residues pruned to eliminate duplicates Z: 8 15.505 1.808 0.929 0.874 1.000 1.000 CA 1.223 9 residues pruned to eliminate duplicates Z: 18 16.491 2.051 0.543 0.396 0.941 0.529 CA 1.498 10 residues pruned to eliminate duplicates Z: 17 25.632 2.046 0.499 0.869 1.000 0.875 CA 1.526 17 residues pruned to eliminate duplicates Z: 19 22.147 1.976 0.562 0.803 0.944 0.444 CB 1.375 16 residues pruned to eliminate duplicates Z: 33 27.991 2.017 0.782 0.560 0.938 0.688 CB 1.386 33 residues pruned to eliminate duplicates Z: 25 27.682 1.951 0.498 0.839 0.917 0.833 CA 1.575 25 residues pruned to eliminate duplicates Z: 11 20.578 1.966 0.669 0.891 0.900 0.700 CB 1.584 11 residues pruned to eliminate duplicates Z: 43 28.203 2.252 0.535 0.413 0.881 0.571 CB 1.566 43 residues pruned to eliminate duplicates Z: 27 32.695 2.005 0.493 0.871 1.000 0.731 CB 1.562 27 residues pruned to eliminate duplicates Z: 15 25.159 2.130 0.658 0.854 0.929 0.857 CA 1.515 15 residues pruned to eliminate duplicates Z: 13 22.798 1.977 0.631 0.907 1.000 0.750 CA 1.450 13 residues pruned to eliminate duplicates Z: 11 18.152 1.950 0.461 0.915 0.900 0.700 CB 1.582 11 residues pruned to eliminate duplicates Z: 17 26.929 2.002 0.753 0.898 0.938 0.750 CB 1.463 17 residues pruned to eliminate duplicates Z: 29 22.773 2.147 0.614 0.559 0.893 0.643 CB 1.313 22 residues pruned to eliminate duplicates Z: 8 4.178 1.575 0.728 0.431 0.571 0.571 N 1.091 7 residues pruned to eliminate duplicates Z: 10 8.047 1.902 0.113 0.551 1.000 0.444 CB 1.206 10 residues pruned to eliminate duplicates Z: 18 29.556 1.978 0.770 0.867 1.000 0.706 CA 1.498 17 residues pruned to eliminate duplicates Z: 28 30.442 2.114 0.527 0.724 0.963 0.778 CB 1.540 29 residues pruned to eliminate duplicates Z: 12 21.709 1.968 0.623 0.914 0.909 0.727 CB 1.594 12 residues pruned to eliminate duplicates Z: 13 19.948 1.913 0.943 0.785 0.917 0.500 CA 1.315 13 residues pruned to eliminate duplicates Z: 11 12.029 1.850 0.229 0.831 1.000 0.800 CB 1.257 Z: 13 27.703 2.069 0.727 0.928 1.000 0.833 CB 1.567 13 residues pruned to eliminate duplicates Z: 16 31.303 2.094 0.655 0.921 1.000 0.733 CB 1.641 16 residues pruned to eliminate duplicates Z: 30 38.367 1.971 0.697 0.911 0.966 0.828 CB 1.563 29 residues pruned to eliminate duplicates Z: 16 25.254 1.990 0.715 0.842 0.933 0.733 CB 1.525 16 residues pruned to eliminate duplicates Z: 11 19.552 2.265 0.422 0.819 0.900 0.500 CB 1.618 11 residues pruned to eliminate duplicates Z: 27 35.437 2.005 0.612 0.903 0.962 0.731 CB 1.595 27 residues pruned to eliminate duplicates Z: 17 26.700 1.992 0.548 0.889 1.000 0.812 CA 1.558 17 residues pruned to eliminate duplicates Z: 16 24.969 2.089 0.494 0.943 1.000 0.867 CB 1.431 16 residues pruned to eliminate duplicates Z: 24 28.523 1.972 0.630 0.894 0.913 0.565 CB 1.454 15 residues pruned to eliminate duplicates Z: 11 19.688 2.169 0.690 0.847 0.800 0.800 N 1.576 11 residues pruned to eliminate duplicates Z: 7 8.545 1.844 0.722 0.601 1.000 0.833 CB 0.998 Z: 17 23.200 1.914 0.557 0.890 0.938 0.875 CA 1.493 16 residues pruned to eliminate duplicates Z: 23 31.473 2.005 0.740 0.886 0.955 0.591 CB 1.454 23 residues pruned to eliminate duplicates Z: 33 26.452 2.034 0.492 0.647 0.906 0.656 CB 1.482 33 residues pruned to eliminate duplicates Z: 7 11.422 1.947 0.221 0.894 1.000 1.000 CB 1.408 7 residues pruned to eliminate duplicates Z: 55 38.763 2.026 0.600 0.745 0.889 0.500 CB 1.471 43 residues pruned to eliminate duplicates Z: 54 34.405 2.212 0.674 0.473 0.906 0.566 CB 1.448 54 residues pruned to eliminate duplicates Z: 11 22.641 2.025 0.692 0.878 0.900 0.400 CA 1.685 11 residues pruned to eliminate duplicates Z: 10 5.782 1.547 0.338 0.673 1.000 0.556 CB 0.794 10 residues pruned to eliminate duplicates Z: 24 38.510 2.049 0.808 0.887 0.957 0.565 CB 1.633 24 residues pruned to eliminate duplicates Z: 8 15.628 1.900 0.669 0.741 1.000 0.571 CA 1.501 8 residues pruned to eliminate duplicates Z: 17 31.592 2.050 0.924 0.880 0.938 0.812 CA 1.547 17 residues pruned to eliminate duplicates Z: 9 16.603 1.927 0.514 0.825 1.000 1.000 CA 1.518 9 residues pruned to eliminate duplicates Z: 12 33.886 2.264 1.000 0.914 1.000 0.818 CB 1.595 12 residues pruned to eliminate duplicates Z: 10 17.588 1.982 0.671 0.813 1.000 0.778 CB 1.348 10 residues pruned to eliminate duplicates Z: 24 35.256 2.010 0.704 0.927 1.000 0.913 CB 1.505 23 residues pruned to eliminate duplicates Z: 27 38.195 2.018 0.664 0.920 1.000 0.692 CB 1.571 27 residues pruned to eliminate duplicates Z: 11 25.454 2.333 0.782 0.880 1.000 0.600 CB 1.403 11 residues pruned to eliminate duplicates Z: 16 26.687 2.105 0.358 0.932 1.000 0.867 CA 1.684 16 residues pruned to eliminate duplicates Z: 15 20.239 1.902 0.687 0.842 0.857 0.500 CB 1.465 15 residues pruned to eliminate duplicates Z: 16 26.697 1.951 0.882 0.876 1.000 0.733 CB 1.365 16 residues pruned to eliminate duplicates Z: 30 59.789 2.255 1.032 0.935 1.000 0.724 CA 1.688 30 residues pruned to eliminate duplicates Z: 15 19.290 1.909 0.301 0.926 1.000 0.929 CB 1.455 Z: 16 23.540 2.102 0.505 0.863 0.933 0.867 CA 1.511 16 residues pruned to eliminate duplicates Z: 18 29.724 1.929 0.816 0.877 1.000 0.882 CA 1.494 18 residues pruned to eliminate duplicates Z: 16 26.384 2.068 0.696 0.907 0.933 0.733 CB 1.480 16 residues pruned to eliminate duplicates Z: 9 10.453 1.689 0.279 0.806 1.000 0.750 CB 1.310 Z: 23 40.981 2.192 1.067 0.899 0.955 0.864 CA 1.444 23 residues pruned to eliminate duplicates Z: 12 6.920 1.883 0.374 0.421 0.727 0.455 CB 1.205 Z: 8 13.743 2.053 0.104 0.888 1.000 0.857 N 1.651 8 residues pruned to eliminate duplicates Z: 23 30.245 2.017 0.693 0.905 0.909 0.727 CB 1.477 23 residues pruned to eliminate duplicates Z: 23 28.027 1.988 0.536 0.865 0.955 0.727 CA 1.502 23 residues pruned to eliminate duplicates Z: 14 23.441 1.808 1.059 0.873 0.923 0.692 CB 1.378 14 residues pruned to eliminate duplicates Z: 15 21.478 1.945 0.433 0.868 1.000 1.000 CB 1.505 15 residues pruned to eliminate duplicates Z: 45 35.310 2.070 0.765 0.544 0.977 0.659 CB 1.428 43 residues pruned to eliminate duplicates Z: 8 15.307 1.761 0.652 0.855 1.000 0.714 N 1.468 8 residues pruned to eliminate duplicates Z: 16 27.274 2.117 0.413 0.924 1.000 0.933 CB 1.652 16 residues pruned to eliminate duplicates Z: 11 14.427 1.701 0.509 0.837 1.000 0.800 CA 1.330 10 residues pruned to eliminate duplicates Z: 30 57.185 2.145 1.076 0.938 1.000 0.621 CA 1.658 30 residues pruned to eliminate duplicates Z: 15 25.212 2.174 0.602 0.863 0.929 0.786 CA 1.528 15 residues pruned to eliminate duplicates Z: 7 7.120 1.963 -0.249 0.859 1.000 1.000 CB 1.451 7 residues pruned to eliminate duplicates Z: 12 20.246 2.060 0.479 0.859 0.909 0.727 CA 1.621 12 residues pruned to eliminate duplicates Z: 29 49.326 2.060 0.934 0.941 1.000 0.679 CB 1.624 29 residues pruned to eliminate duplicates Z: 14 21.024 1.860 0.627 0.882 1.000 0.846 CB 1.394 14 residues pruned to eliminate duplicates Z: 10 14.624 1.764 0.636 0.883 1.000 0.778 CB 1.221 Z: 12 19.151 1.931 0.548 0.893 1.000 1.000 CB 1.386 12 residues pruned to eliminate duplicates Z: 15 34.557 2.213 0.814 0.923 1.000 0.929 CB 1.617 15 residues pruned to eliminate duplicates Z: 15 23.846 2.006 0.628 0.906 0.929 0.857 CA 1.495 15 residues pruned to eliminate duplicates Z: 16 25.455 2.081 0.711 0.905 0.867 0.667 CB 1.516 16 residues pruned to eliminate duplicates Z: 27 34.607 2.061 0.710 0.763 1.000 0.731 CA 1.525 18 residues pruned to eliminate duplicates Z: 23 28.497 2.021 0.397 0.931 1.000 1.000 CA 1.504 23 residues pruned to eliminate duplicates Z: 6 10.298 1.795 0.383 0.880 1.000 0.800 CB 1.344 Z: 55 27.900 1.913 0.694 0.520 0.889 0.556 CB 1.292 40 residues pruned to eliminate duplicates Z: 18 21.271 1.852 0.501 0.922 1.000 0.824 CA 1.304 18 residues pruned to eliminate duplicates Z: 8 7.708 1.881 0.578 0.694 0.714 0.429 CB 1.151 8 residues pruned to eliminate duplicates Z: 9 18.227 1.965 0.623 0.871 1.000 0.750 N 1.475 9 residues pruned to eliminate duplicates Z: 12 13.754 1.854 0.258 0.857 1.000 0.727 CB 1.310 12 residues pruned to eliminate duplicates Z: 10 6.475 1.901 0.680 0.499 0.667 0.556 CB 1.015 Z: 19 20.369 2.257 0.878 0.495 0.833 0.500 CB 1.366 11 residues pruned to eliminate duplicates Z: 30 35.321 1.945 0.546 0.899 1.000 0.828 CB 1.560 30 residues pruned to eliminate duplicates Z: 20 14.782 1.884 0.534 0.521 0.842 0.368 CB 1.364 12 residues pruned to eliminate duplicates Z: 14 17.126 1.874 0.344 0.936 1.000 1.000 CB 1.313 14 residues pruned to eliminate duplicates Z: 23 35.193 1.981 0.762 0.928 1.000 0.818 CB 1.505 23 residues pruned to eliminate duplicates Z: 8 2.733 1.666 0.247 0.314 0.571 0.286 CB 1.069 Z: 62 55.667 2.220 0.740 0.742 0.951 0.820 CB 1.562 68 residues pruned to eliminate duplicates Z: 24 29.734 1.929 0.683 0.857 0.957 0.565 CB 1.471 24 residues pruned to eliminate duplicates Z: 31 53.019 2.213 1.068 0.940 0.967 0.667 CB 1.519 31 residues pruned to eliminate duplicates Z: 13 26.721 2.074 1.138 0.889 1.000 0.750 CA 1.252 13 residues pruned to eliminate duplicates Z: 17 35.254 2.078 0.907 0.908 1.000 0.938 CB 1.580 18 residues pruned to eliminate duplicates Z: 16 30.318 2.069 0.675 0.910 1.000 0.800 CA 1.601 16 residues pruned to eliminate duplicates Z: 17 36.352 2.059 1.003 0.906 1.000 0.562 CA 1.568 17 residues pruned to eliminate duplicates Z: 27 37.749 2.026 0.848 0.911 0.885 0.769 CA 1.584 27 residues pruned to eliminate duplicates Z: 11 5.991 1.699 0.298 0.491 1.000 0.700 CB 0.867 13 residues pruned to eliminate duplicates Z: 17 25.510 2.054 0.761 0.846 0.875 0.750 CA 1.498 17 residues pruned to eliminate duplicates Z: 17 34.744 2.037 0.923 0.872 1.000 0.750 CA 1.617 17 residues pruned to eliminate duplicates Z: 29 53.826 2.157 1.151 0.935 0.964 0.429 CB 1.585 30 residues pruned to eliminate duplicates Z: 16 23.380 1.895 0.390 0.903 1.000 0.867 CA 1.634 16 residues pruned to eliminate duplicates Z: 38 37.807 1.993 0.781 0.768 0.946 0.622 CB 1.459 37 residues pruned to eliminate duplicates Z: 6 9.346 1.826 0.196 0.838 1.000 0.800 CB 1.431 6 residues pruned to eliminate duplicates Z: 27 29.862 2.012 0.455 0.885 0.885 0.731 CB 1.633 27 residues pruned to eliminate duplicates Z: 42 28.970 2.048 0.554 0.574 0.927 0.488 CB 1.427 39 residues pruned to eliminate duplicates Z: 30 41.039 2.230 0.758 0.904 0.931 0.690 CB 1.487 30 residues pruned to eliminate duplicates Z: 25 28.153 1.972 0.716 0.820 0.958 0.583 CB 1.343 25 residues pruned to eliminate duplicates Z: 15 17.137 1.861 0.739 0.828 0.929 0.500 CB 1.147 15 residues pruned to eliminate duplicates Z: 11 7.744 1.893 0.419 0.407 0.800 0.600 CB 1.256 Z: 31 20.982 2.103 0.809 0.420 0.833 0.367 CB 1.314 31 residues pruned to eliminate duplicates Z: 23 22.735 1.842 0.456 0.919 0.955 0.818 CB 1.335 Z: 9 13.830 1.917 0.362 0.893 1.000 1.000 CB 1.345 11 residues pruned to eliminate duplicates Z: 12 36.364 2.353 1.217 0.922 0.909 0.727 CB 1.626 13 residues pruned to eliminate duplicates Z: 6 6.602 1.972 0.532 0.648 0.800 0.400 CA 1.065 6 residues pruned to eliminate duplicates Z: 15 24.163 2.207 0.392 0.880 0.929 0.857 CA 1.641 15 residues pruned to eliminate duplicates Z: 12 9.896 1.938 -0.116 0.879 1.000 0.909 CB 1.262 Z: 16 23.608 1.932 0.554 0.893 1.000 0.867 CB 1.457 16 residues pruned to eliminate duplicates Z: 6 8.216 1.723 0.345 0.809 1.000 0.800 N 1.211 6 residues pruned to eliminate duplicates Z: 30 34.397 1.976 0.532 0.892 1.000 0.724 CB 1.516 29 residues pruned to eliminate duplicates Z: 10 30.504 2.309 0.836 0.884 1.000 1.000 CA 1.732 10 residues pruned to eliminate duplicates Z: 11 18.068 1.809 0.753 0.914 1.000 0.800 CB 1.274 Z: 25 27.220 1.924 0.499 0.863 0.958 0.667 CB 1.475 25 residues pruned to eliminate duplicates Z: 11 14.138 1.803 0.477 0.884 1.000 0.700 CB 1.213 11 residues pruned to eliminate duplicates Z: 16 26.893 2.001 0.653 0.913 0.933 0.867 CB 1.591 16 residues pruned to eliminate duplicates Z: 16 22.210 2.035 0.388 0.904 1.000 1.000 CA 1.446 16 residues pruned to eliminate duplicates Z: 54 29.656 2.201 0.505 0.498 0.849 0.509 CB 1.451 54 residues pruned to eliminate duplicates Z: 12 16.392 1.991 0.272 0.875 1.000 0.818 CB 1.419 12 residues pruned to eliminate duplicates Z: 34 14.091 1.873 0.454 0.409 0.818 0.424 CB 1.212 34 residues pruned to eliminate duplicates Z: 11 13.536 2.107 0.239 0.783 0.900 0.800 CB 1.420 11 residues pruned to eliminate duplicates Z: 23 26.256 1.971 0.561 0.891 0.909 0.591 CB 1.439 23 residues pruned to eliminate duplicates Z: 48 21.478 1.854 0.498 0.464 0.915 0.596 CB 1.278 48 residues pruned to eliminate duplicates Z: 29 41.633 2.066 0.826 0.907 0.964 0.786 CA 1.536 29 residues pruned to eliminate duplicates Z: 10 6.767 1.914 0.715 0.549 0.778 0.778 CB 0.842 Z: 99 65.091 2.186 0.981 0.587 0.918 0.602 CB 1.521 99 residues pruned to eliminate duplicates Z: 37 32.803 2.029 0.745 0.728 0.917 0.444 CB 1.372 37 residues pruned to eliminate duplicates Z: 25 27.789 1.966 0.643 0.848 0.875 0.708 CB 1.488 25 residues pruned to eliminate duplicates Z: 94 61.430 2.258 0.813 0.551 0.903 0.645 CB 1.638 94 residues pruned to eliminate duplicates Z: 38 25.718 2.150 0.712 0.472 0.892 0.568 CB 1.326 38 residues pruned to eliminate duplicates Z: 26 33.150 2.015 0.680 0.851 0.920 0.760 CB 1.576 26 residues pruned to eliminate duplicates Z: 11 23.529 1.969 0.700 0.916 1.000 0.500 CB 1.569 11 residues pruned to eliminate duplicates Z: 13 15.340 1.891 0.310 0.869 1.000 0.833 CA 1.306 13 residues pruned to eliminate duplicates Z: 13 22.173 1.938 0.687 0.905 1.000 0.667 CB 1.394 13 residues pruned to eliminate duplicates Z: 14 26.150 1.934 0.918 0.905 0.923 0.846 CB 1.508 14 residues pruned to eliminate duplicates Z: 17 18.167 1.672 0.526 0.913 1.000 0.750 CB 1.259 Z: 17 28.653 2.075 0.801 0.826 0.938 0.812 CA 1.542 17 residues pruned to eliminate duplicates Z: 25 52.191 2.127 1.164 0.943 1.000 0.542 CA 1.605 25 residues pruned to eliminate duplicates Z: 22 15.966 2.049 0.597 0.442 0.857 0.429 CB 1.319 22 residues pruned to eliminate duplicates Z: 12 35.988 2.284 1.061 0.922 1.000 0.909 CA 1.621 12 residues pruned to eliminate duplicates Z: 16 29.288 2.126 0.616 0.884 1.000 0.867 CA 1.590 16 residues pruned to eliminate duplicates Z: 11 13.927 1.772 0.416 0.843 1.000 0.600 CB 1.307 11 residues pruned to eliminate duplicates Z: 8 14.325 1.809 0.480 0.805 1.000 0.857 O 1.549 8 residues pruned to eliminate duplicates Z: 13 12.346 1.911 0.149 0.883 0.917 0.750 CB 1.280 13 residues pruned to eliminate duplicates Z: 15 22.478 1.985 0.479 0.905 0.929 0.929 CB 1.569 15 residues pruned to eliminate duplicates Z: 10 10.578 1.851 0.118 0.772 1.000 0.444 CA 1.340 10 residues pruned to eliminate duplicates Z: 15 13.924 1.940 0.681 0.735 0.643 0.214 CB 1.437 15 residues pruned to eliminate duplicates Z: 13 21.621 1.837 0.693 0.901 1.000 0.750 CA 1.433 13 residues pruned to eliminate duplicates Z: 8 25.184 2.216 1.303 0.882 0.857 0.714 CB 1.575 8 residues pruned to eliminate duplicates Z: 10 20.539 1.861 0.777 0.930 1.000 0.889 CB 1.448 11 residues pruned to eliminate duplicates Z: 19 20.973 1.837 0.571 0.859 0.944 0.778 CB 1.334 19 residues pruned to eliminate duplicates Z: 28 29.541 2.079 0.556 0.739 0.926 0.778 CB 1.531 28 residues pruned to eliminate duplicates Z: 15 28.834 1.973 0.934 0.895 0.929 0.571 CB 1.559 15 residues pruned to eliminate duplicates Z: 54 34.435 2.192 0.707 0.489 0.887 0.528 CB 1.442 54 residues pruned to eliminate duplicates Z: 15 22.368 1.950 0.415 0.931 1.000 0.929 CB 1.515 15 residues pruned to eliminate duplicates Z: 9 6.690 1.629 0.108 0.522 1.000 0.500 C 1.282 Z: 6 18.431 1.920 1.428 0.859 1.000 1.000 CA 1.301 Z: 12 20.379 2.082 0.348 0.869 1.000 0.727 CA 1.600 12 residues pruned to eliminate duplicates Z: 20 16.877 1.907 0.258 0.827 0.895 0.526 CB 1.359 20 residues pruned to eliminate duplicates Z: 44 28.108 2.056 0.475 0.523 0.953 0.488 CB 1.449 43 residues pruned to eliminate duplicates Z: 111 72.789 2.244 0.852 0.604 0.927 0.664 CB 1.630 110 residues pruned to eliminate duplicates Z: 18 27.470 1.967 0.717 0.902 0.941 0.765 CA 1.496 18 residues pruned to eliminate duplicates Z: 16 23.914 1.983 0.398 0.888 1.000 0.800 CB 1.605 16 residues pruned to eliminate duplicates Z: 6 3.819 1.571 0.818 0.402 0.600 0.600 CB 1.105 5 residues pruned to eliminate duplicates Z: 29 32.183 2.113 0.755 0.706 0.964 0.536 CB 1.410 29 residues pruned to eliminate duplicates Z: 7 10.722 2.102 0.676 0.751 0.833 0.833 CA 1.192 7 residues pruned to eliminate duplicates Z: 55 28.496 2.019 0.544 0.509 0.944 0.593 CB 1.306 55 residues pruned to eliminate duplicates Z: 73 28.153 2.004 0.590 0.500 0.847 0.569 CB 1.230 73 residues pruned to eliminate duplicates Z: 28 34.069 1.992 0.581 0.928 0.963 0.667 CB 1.513 28 residues pruned to eliminate duplicates Z: 30 39.872 1.949 0.917 0.926 0.966 0.586 CB 1.440 30 residues pruned to eliminate duplicates Z: 24 19.640 1.841 0.689 0.561 0.870 0.478 CA 1.428 19 residues pruned to eliminate duplicates Z: 9 16.316 1.917 0.836 0.845 1.000 0.875 CB 1.218 9 residues pruned to eliminate duplicates Z: 12 14.309 1.897 0.315 0.838 1.000 0.909 CA 1.293 12 residues pruned to eliminate duplicates Z: 14 19.812 2.009 0.187 0.902 1.000 0.923 CA 1.644 14 residues pruned to eliminate duplicates Z: 29 39.978 2.053 0.893 0.905 0.929 0.500 CB 1.490 29 residues pruned to eliminate duplicates Z: 8 9.375 1.623 0.240 0.860 1.000 0.429 O 1.295 8 residues pruned to eliminate duplicates Z: 14 12.154 1.844 0.232 0.874 0.923 0.846 CB 1.170 14 residues pruned to eliminate duplicates Z: 17 21.555 1.774 0.920 0.861 0.875 0.625 CA 1.329 17 residues pruned to eliminate duplicates Z: 17 26.596 2.010 0.909 0.873 0.938 0.688 CA 1.346 19 residues pruned to eliminate duplicates Z: 9 4.223 1.550 0.432 0.396 0.750 0.750 CB 1.002 8 residues pruned to eliminate duplicates Z: 15 7.351 1.834 0.547 0.383 0.857 0.500 CB 0.915 Z: 30 20.514 2.018 0.618 0.553 0.828 0.552 CB 1.339 26 residues pruned to eliminate duplicates Z: 6 2.638 1.804 -0.127 0.410 0.600 0.600 C 1.372 Z: 14 22.932 2.021 0.533 0.899 0.923 0.692 CB 1.589 14 residues pruned to eliminate duplicates Z: 17 17.376 1.609 0.539 0.801 1.000 0.688 CB 1.348 17 residues pruned to eliminate duplicates Z: 12 32.175 2.137 0.977 0.904 1.000 0.727 CA 1.635 12 residues pruned to eliminate duplicates Z: 30 52.776 2.149 1.031 0.926 0.966 0.483 CB 1.631 30 residues pruned to eliminate duplicates Z: 25 30.915 1.964 0.616 0.859 0.958 0.833 CB 1.527 25 residues pruned to eliminate duplicates Z: 11 20.632 2.051 0.606 0.923 1.000 1.000 CA 1.392 11 residues pruned to eliminate duplicates Z: 11 12.691 1.803 0.517 0.806 1.000 0.600 CA 1.123 11 residues pruned to eliminate duplicates Z: 12 16.272 1.896 0.416 0.870 1.000 0.818 CA 1.334 12 residues pruned to eliminate duplicates Z: 8 11.873 1.763 0.218 0.863 1.000 0.714 C 1.533 8 residues pruned to eliminate duplicates Z: 17 31.099 2.096 0.760 0.887 1.000 0.812 CA 1.519 17 residues pruned to eliminate duplicates Z: 7 2.957 1.439 0.763 0.223 0.667 0.333 CA 0.986 Z: 7 5.064 1.738 0.418 0.586 0.833 0.667 CB 0.927 Z: 11 13.393 1.865 0.257 0.895 1.000 0.800 CB 1.295 9 residues pruned to eliminate duplicates Z: 17 27.088 2.034 0.528 0.893 1.000 0.875 CA 1.564 17 residues pruned to eliminate duplicates Z: 47 19.114 1.749 0.580 0.527 0.891 0.609 CB 1.114 47 residues pruned to eliminate duplicates Z: 20 12.654 1.814 0.490 0.486 0.895 0.421 CB 1.218 11 residues pruned to eliminate duplicates Z: 9 12.238 1.771 0.482 0.889 0.875 0.750 CA 1.357 9 residues pruned to eliminate duplicates Z: 15 22.214 1.936 0.505 0.886 0.929 0.857 CB 1.583 15 residues pruned to eliminate duplicates Z: 9 10.842 1.903 0.744 0.817 1.000 0.750 CB 0.878 9 residues pruned to eliminate duplicates Z: 61 34.721 2.160 0.672 0.454 0.900 0.517 CB 1.446 61 residues pruned to eliminate duplicates Z: 9 16.483 1.896 0.745 0.855 0.875 0.625 CB 1.486 9 residues pruned to eliminate duplicates Z: 13 22.900 1.980 0.728 0.913 1.000 0.583 CB 1.368 13 residues pruned to eliminate duplicates Z: 8 11.396 1.796 0.475 0.816 1.000 0.714 N 1.236 8 residues pruned to eliminate duplicates Z: 11 10.509 1.950 0.458 0.519 0.800 0.700 CB 1.433 Z: 11 12.709 1.942 0.168 0.822 0.900 0.500 CA 1.488 11 residues pruned to eliminate duplicates Z: 14 17.194 1.902 0.351 0.905 1.000 0.846 CB 1.321 14 residues pruned to eliminate duplicates Z: 8 9.932 1.625 0.722 0.860 1.000 0.714 CB 0.987 8 residues pruned to eliminate duplicates Z: 7 12.984 2.023 0.243 0.877 1.000 1.000 CB 1.531 7 residues pruned to eliminate duplicates Z: 31 17.061 1.930 0.476 0.482 0.867 0.567 CB 1.285 31 residues pruned to eliminate duplicates Z: 28 34.706 2.001 0.540 0.923 0.963 0.889 CB 1.581 29 residues pruned to eliminate duplicates Z: 13 14.370 1.834 0.095 0.919 1.000 1.000 CB 1.456 13 residues pruned to eliminate duplicates Z: 16 29.571 2.089 0.807 0.876 0.933 0.800 CA 1.575 16 residues pruned to eliminate duplicates Z: 28 27.432 2.118 0.519 0.604 0.963 0.519 CB 1.544 28 residues pruned to eliminate duplicates Z: 12 14.850 1.707 0.691 0.898 0.909 0.818 CB 1.220 12 residues pruned to eliminate duplicates Z: 13 25.563 2.017 0.606 0.928 1.000 1.000 CB 1.596 13 residues pruned to eliminate duplicates Z: 28 46.326 2.176 0.907 0.934 1.000 0.963 CA 1.498 28 residues pruned to eliminate duplicates Z: 16 25.874 1.854 0.961 0.892 0.933 0.800 CB 1.414 17 residues pruned to eliminate duplicates Z: 22 29.567 2.030 0.657 0.926 0.905 0.857 CB 1.487 22 residues pruned to eliminate duplicates Z: 7 12.536 1.820 0.304 0.887 1.000 0.833 CA 1.555 7 residues pruned to eliminate duplicates Z: 8 11.254 1.910 0.434 0.821 1.000 0.857 CB 1.176 8 residues pruned to eliminate duplicates Z: 18 23.947 1.862 0.787 0.858 0.941 0.941 CB 1.366 18 residues pruned to eliminate duplicates Z: 16 29.725 2.033 0.677 0.905 1.000 0.733 CA 1.602 16 residues pruned to eliminate duplicates Z: 12 10.113 2.024 0.572 0.376 0.818 0.636 CB 1.338 12 residues pruned to eliminate duplicates Z: 26 28.220 1.899 0.685 0.834 0.960 0.720 CB 1.377 26 residues pruned to eliminate duplicates Z: 12 20.929 1.829 0.596 0.912 1.000 0.455 N 1.530 12 residues pruned to eliminate duplicates Z: 25 24.960 1.897 0.380 0.860 0.958 0.792 CB 1.494 24 residues pruned to eliminate duplicates Z: 15 23.352 2.019 0.315 0.927 1.000 0.929 CB 1.647 15 residues pruned to eliminate duplicates Z: 10 20.427 2.066 0.511 0.882 1.000 0.778 CB 1.579 10 residues pruned to eliminate duplicates Z: 10 14.172 1.772 0.745 0.825 1.000 0.667 CA 1.153 10 residues pruned to eliminate duplicates Z: 12 26.497 2.266 0.688 0.857 1.000 0.636 CA 1.539 12 residues pruned to eliminate duplicates Z: 24 23.739 1.976 0.214 0.877 0.957 0.913 CA 1.566 24 residues pruned to eliminate duplicates Z: 29 41.411 2.068 0.717 0.907 1.000 0.964 CA 1.566 29 residues pruned to eliminate duplicates Z: 7 6.638 1.710 0.254 0.762 0.833 0.500 CB 1.201 7 residues pruned to eliminate duplicates Z: 13 11.296 1.890 0.107 0.711 0.833 0.667 CB 1.545 13 residues pruned to eliminate duplicates Z: 28 37.244 2.021 0.925 0.923 0.889 0.519 CB 1.457 28 residues pruned to eliminate duplicates Z: 23 26.083 1.867 0.640 0.905 0.955 0.864 CB 1.353 23 residues pruned to eliminate duplicates Z: 11 17.436 2.065 0.314 0.910 1.000 0.900 CA 1.441 11 residues pruned to eliminate duplicates Z: 16 22.619 2.013 0.464 0.781 1.000 0.667 CB 1.547 16 residues pruned to eliminate duplicates Z: 30 29.327 2.106 0.652 0.656 0.966 0.724 CB 1.403 30 residues pruned to eliminate duplicates Z: 28 45.604 2.082 0.971 0.924 0.963 0.556 CB 1.559 28 residues pruned to eliminate duplicates Z: 9 18.115 1.879 0.752 0.903 1.000 1.000 CB 1.387 9 residues pruned to eliminate duplicates Z: 12 16.411 2.147 0.199 0.884 1.000 0.909 CA 1.390 12 residues pruned to eliminate duplicates Z: 7 9.543 2.105 0.392 0.804 0.833 0.667 CB 1.223 7 residues pruned to eliminate duplicates Z: 19 8.884 1.792 0.289 0.442 0.778 0.667 CB 1.237 14 residues pruned to eliminate duplicates Z: 16 23.295 1.930 0.401 0.934 1.000 0.800 CB 1.552 16 residues pruned to eliminate duplicates Z: 21 10.092 1.639 0.234 0.607 0.850 0.700 CB 1.186 Z: 11 15.872 2.033 0.343 0.843 1.000 0.600 CB 1.369 11 residues pruned to eliminate duplicates Z: 12 25.144 1.939 0.958 0.804 0.909 0.455 CB 1.684 12 residues pruned to eliminate duplicates Z: 8 12.554 1.935 1.015 0.831 0.714 0.714 CB 1.279 8 residues pruned to eliminate duplicates Z: 22 33.700 1.991 0.818 0.925 1.000 0.667 CB 1.425 22 residues pruned to eliminate duplicates Z: 42 24.123 2.025 0.379 0.523 0.976 0.610 CB 1.353 42 residues pruned to eliminate duplicates Z: 30 58.968 2.274 1.091 0.943 1.000 0.448 CB 1.596 30 residues pruned to eliminate duplicates Z: 27 29.037 1.966 0.408 0.881 1.000 0.769 CA 1.489 27 residues pruned to eliminate duplicates Z: 9 8.795 1.884 0.287 0.836 0.875 0.750 CB 1.096 9 residues pruned to eliminate duplicates Z: 76 40.010 2.041 0.632 0.607 0.880 0.560 CB 1.423 76 residues pruned to eliminate duplicates Z: 30 48.797 2.041 1.022 0.931 0.966 0.655 CB 1.589 31 residues pruned to eliminate duplicates Z: 8 12.874 1.756 0.570 0.820 1.000 0.714 N 1.337 8 residues pruned to eliminate duplicates Z: 15 14.585 1.867 0.224 0.819 1.000 0.786 CB 1.293 15 residues pruned to eliminate duplicates Z: 16 30.460 2.126 0.739 0.885 1.000 0.867 CA 1.536 16 residues pruned to eliminate duplicates Z: 16 23.763 1.927 0.499 0.862 1.000 0.733 CB 1.559 16 residues pruned to eliminate duplicates Z: 26 29.400 2.004 0.391 0.913 1.000 0.880 CA 1.493 25 residues pruned to eliminate duplicates Z: 8 9.461 1.802 0.598 0.852 0.714 0.571 CB 1.286 8 residues pruned to eliminate duplicates Z: 12 17.128 2.005 0.648 0.669 0.909 0.727 CB 1.470 12 residues pruned to eliminate duplicates Z: 30 42.152 2.233 0.530 0.939 0.966 0.897 CA 1.649 30 residues pruned to eliminate duplicates Z: 9 3.490 1.687 -0.120 0.444 0.875 0.750 CB 1.006 Z: 8 15.105 2.000 0.499 0.863 1.000 0.857 CB 1.397 8 residues pruned to eliminate duplicates Z: 6 10.281 2.217 0.350 0.802 1.000 1.000 CB 1.180 Z: 24 32.682 2.005 0.740 0.912 0.957 0.739 CB 1.447 24 residues pruned to eliminate duplicates Z: 8 2.809 1.624 0.057 0.383 0.714 0.571 CB 0.981 8 residues pruned to eliminate duplicates Z: 7 5.362 1.721 0.430 0.283 1.000 0.500 CB 1.137 Z: 9 19.434 1.925 0.816 0.858 1.000 0.625 CB 1.447 9 residues pruned to eliminate duplicates Z: 6 9.228 2.192 0.487 0.564 1.000 0.600 CB 1.189 6 residues pruned to eliminate duplicates Z: 7 2.705 1.821 0.059 0.647 0.667 0.667 CB 0.749 7 residues pruned to eliminate duplicates Z: 21 6.296 1.472 0.162 0.444 0.850 0.600 CB 1.025 22 residues pruned to eliminate duplicates Z: 8 5.688 1.819 0.198 0.393 0.857 0.714 CB 1.289 8 residues pruned to eliminate duplicates Z: 22 23.798 1.796 0.635 0.935 1.000 0.381 CB 1.233 22 residues pruned to eliminate duplicates Z: 15 19.282 2.009 0.448 0.874 0.857 0.571 CB 1.504 15 residues pruned to eliminate duplicates Z: 31 28.030 1.846 0.621 0.905 0.933 0.600 CB 1.304 31 residues pruned to eliminate duplicates Z: 13 13.047 1.678 0.477 0.817 1.000 0.667 CB 1.153 10 residues pruned to eliminate duplicates Z: 29 39.575 1.997 0.689 0.904 1.000 0.821 CB 1.579 29 residues pruned to eliminate duplicates Z: 24 26.586 1.989 0.371 0.922 0.957 0.870 CA 1.495 24 residues pruned to eliminate duplicates Z: 23 23.796 1.865 0.474 0.925 1.000 0.773 CB 1.295 23 residues pruned to eliminate duplicates Z: 7 4.566 1.625 0.401 0.281 0.833 0.333 CB 1.258 Z: 6 8.993 1.796 0.399 0.821 1.000 1.000 CB 1.211 5 residues pruned to eliminate duplicates Z: 8 19.025 2.041 0.562 0.887 1.000 0.857 N 1.626 8 residues pruned to eliminate duplicates Z: 31 44.830 2.102 0.855 0.911 0.967 0.633 CB 1.539 31 residues pruned to eliminate duplicates Z: 20 29.618 1.938 0.935 0.897 0.842 0.579 CB 1.540 20 residues pruned to eliminate duplicates Z: 20 11.647 1.835 0.483 0.476 0.789 0.632 CB 1.274 20 residues pruned to eliminate duplicates Z: 15 11.234 1.822 0.244 0.821 0.929 0.786 CB 1.080 12 residues pruned to eliminate duplicates Z: 29 50.981 2.151 1.043 0.933 0.964 0.750 CA 1.587 29 residues pruned to eliminate duplicates Z: 24 31.315 1.995 0.536 0.917 0.957 0.826 CA 1.573 24 residues pruned to eliminate duplicates Z: 10 19.400 1.847 0.982 0.864 1.000 0.667 CB 1.296 10 residues pruned to eliminate duplicates Z: 30 37.533 1.959 0.896 0.889 0.966 0.552 CB 1.399 30 residues pruned to eliminate duplicates Z: 14 24.214 1.963 0.564 0.917 1.000 0.769 CB 1.544 14 residues pruned to eliminate duplicates Z: 22 33.417 2.090 0.572 0.901 1.000 0.810 CB 1.584 22 residues pruned to eliminate duplicates Z: 51 34.238 2.155 0.671 0.492 0.880 0.360 CB 1.540 51 residues pruned to eliminate duplicates Z: 30 16.719 1.955 0.520 0.476 0.931 0.621 CB 1.150 30 residues pruned to eliminate duplicates Z: 17 15.521 1.586 0.720 0.891 0.875 0.562 CA 1.169 16 residues pruned to eliminate duplicates Z: 37 44.395 2.314 0.612 0.810 0.917 0.889 CB 1.653 37 residues pruned to eliminate duplicates Z: 15 24.983 1.886 0.718 0.888 1.000 0.786 CB 1.485 15 residues pruned to eliminate duplicates Z: 14 24.130 1.986 0.592 0.886 1.000 0.615 CA 1.526 14 residues pruned to eliminate duplicates Z: 67 31.211 2.023 0.505 0.517 0.955 0.576 CB 1.299 67 residues pruned to eliminate duplicates Z: 22 26.885 1.893 0.594 0.944 1.000 0.762 CB 1.347 22 residues pruned to eliminate duplicates Z: 25 29.662 2.000 0.789 0.887 0.833 0.417 CB 1.464 25 residues pruned to eliminate duplicates Z: 21 18.999 1.851 0.358 0.901 0.950 0.900 CB 1.270 21 residues pruned to eliminate duplicates Z: 30 17.841 1.818 0.518 0.643 0.828 0.552 CB 1.269 19 residues pruned to eliminate duplicates Z: 22 17.953 1.862 0.727 0.387 0.905 0.429 CB 1.518 22 residues pruned to eliminate duplicates Z: 10 6.253 1.970 0.228 0.316 0.778 0.444 CB 1.357 10 residues pruned to eliminate duplicates Z: 23 20.230 1.804 0.459 0.907 0.955 0.864 CB 1.221 23 residues pruned to eliminate duplicates Z: 17 26.752 1.976 0.785 0.824 0.938 0.750 CB 1.528 17 residues pruned to eliminate duplicates Z: 11 25.128 2.113 0.754 0.901 0.900 0.800 CA 1.700 11 residues pruned to eliminate duplicates Z: 13 17.049 1.835 0.720 0.721 0.917 0.750 CA 1.393 13 residues pruned to eliminate duplicates Z: 44 32.502 2.133 0.765 0.543 0.860 0.535 CB 1.467 44 residues pruned to eliminate duplicates Z: 17 32.041 2.032 1.031 0.880 0.938 0.625 CA 1.500 17 residues pruned to eliminate duplicates Z: 28 43.892 2.095 0.957 0.924 0.963 0.296 CB 1.502 28 residues pruned to eliminate duplicates Z: 7 2.651 1.418 0.312 0.385 1.000 0.667 CB 0.657 Z: 30 29.242 1.919 0.429 0.911 0.931 0.931 CB 1.508 30 residues pruned to eliminate duplicates Z: 12 22.165 1.996 0.782 0.887 0.818 0.727 CA 1.656 12 residues pruned to eliminate duplicates Z: 14 12.768 1.801 0.531 0.605 1.000 0.462 CB 1.162 14 residues pruned to eliminate duplicates Z: 16 24.604 2.056 0.591 0.914 0.933 0.867 CB 1.472 16 residues pruned to eliminate duplicates Z: 19 15.079 1.971 0.411 0.614 0.833 0.611 CB 1.377 19 residues pruned to eliminate duplicates Z: 30 40.265 1.985 1.106 0.905 0.966 0.310 CB 1.318 30 residues pruned to eliminate duplicates Z: 6 6.762 1.651 0.642 0.656 1.000 0.800 CB 0.964 6 residues pruned to eliminate duplicates Z: 16 20.982 1.887 0.492 0.874 1.000 0.933 CA 1.401 16 residues pruned to eliminate duplicates Z: 28 34.439 1.991 0.567 0.914 0.963 0.815 CB 1.561 28 residues pruned to eliminate duplicates Z: 32 41.775 2.224 1.006 0.647 0.935 0.645 CB 1.567 32 residues pruned to eliminate duplicates Z: 12 7.676 1.677 0.648 0.411 0.818 0.636 N 1.123 Z: 13 25.353 2.195 0.792 0.863 1.000 0.833 CA 1.365 13 residues pruned to eliminate duplicates Z: 29 51.837 2.152 1.321 0.944 0.929 0.393 CB 1.462 43 residues pruned to eliminate duplicates Z: 85 44.559 2.010 0.677 0.641 0.905 0.429 CB 1.398 85 residues pruned to eliminate duplicates Z: 10 9.861 1.759 0.617 0.727 0.778 0.667 CB 1.211 10 residues pruned to eliminate duplicates Z: 18 13.357 1.639 0.487 0.879 0.941 0.647 CB 1.025 18 residues pruned to eliminate duplicates Z: 9 13.856 2.052 0.348 0.892 0.875 0.750 CA 1.453 9 residues pruned to eliminate duplicates Z: 16 25.113 2.073 0.429 0.897 1.000 0.933 CB 1.567 16 residues pruned to eliminate duplicates Z: 8 9.324 1.797 0.538 0.732 0.857 0.429 N 1.208 7 residues pruned to eliminate duplicates Z: 16 19.941 1.950 0.321 0.880 0.933 0.800 CB 1.552 16 residues pruned to eliminate duplicates Z: 32 57.935 2.199 0.963 0.932 1.000 0.806 CA 1.684 32 residues pruned to eliminate duplicates Z: 11 11.846 1.994 0.565 0.459 0.800 0.600 CB 1.564 11 residues pruned to eliminate duplicates Z: 13 28.094 2.005 1.002 0.857 0.917 0.750 CA 1.625 13 residues pruned to eliminate duplicates Z: 13 5.559 1.752 0.428 0.432 0.833 0.500 CB 0.825 Z: 11 13.558 1.880 0.493 0.744 0.900 0.600 CB 1.364 11 residues pruned to eliminate duplicates Z: 15 19.444 1.973 0.312 0.886 0.929 0.857 CB 1.560 15 residues pruned to eliminate duplicates Z: 15 22.157 2.005 0.805 0.869 1.000 0.429 CB 1.195 15 residues pruned to eliminate duplicates Z: 29 36.504 1.998 0.512 0.925 1.000 0.929 CB 1.602 29 residues pruned to eliminate duplicates Z: 10 15.436 1.834 0.608 0.847 1.000 0.556 CB 1.296 Z: 23 28.094 2.021 0.540 0.888 0.909 0.636 CB 1.526 23 residues pruned to eliminate duplicates Z: 14 13.730 1.853 0.309 0.878 1.000 0.846 CB 1.139 14 residues pruned to eliminate duplicates Z: 11 15.817 2.025 0.277 0.836 1.000 0.800 CB 1.447 11 residues pruned to eliminate duplicates Z: 14 20.385 1.797 1.052 0.859 0.846 0.462 CB 1.333 14 residues pruned to eliminate duplicates Z: 7 12.574 1.814 0.461 0.824 1.000 0.833 N 1.463 7 residues pruned to eliminate duplicates Z: 65 32.873 2.012 0.617 0.545 0.953 0.547 CB 1.268 65 residues pruned to eliminate duplicates Z: 17 22.536 1.915 0.617 0.857 0.875 0.688 CA 1.532 17 residues pruned to eliminate duplicates Z: 10 12.786 1.963 0.636 0.521 0.889 0.667 CA 1.462 10 residues pruned to eliminate duplicates Z: 24 42.565 2.147 0.897 0.917 1.000 0.739 CA 1.538 24 residues pruned to eliminate duplicates Z: 42 37.289 2.007 0.756 0.688 0.951 0.463 CB 1.462 42 residues pruned to eliminate duplicates Z: 12 15.362 1.812 0.687 0.845 0.909 0.818 CB 1.240 12 residues pruned to eliminate duplicates Z: 30 32.187 2.087 0.813 0.788 0.828 0.345 CB 1.482 31 residues pruned to eliminate duplicates Z: 6 4.288 2.049 0.006 0.549 0.800 0.600 CB 1.109 6 residues pruned to eliminate duplicates Z: 8 6.316 1.650 0.675 0.539 0.714 0.571 CB 1.164 8 residues pruned to eliminate duplicates Z: 12 5.790 1.784 0.334 0.467 0.818 0.545 CB 0.927 Z: 6 8.606 1.881 0.173 0.878 1.000 1.000 CB 1.266 6 residues pruned to eliminate duplicates Z: 8 5.624 1.579 0.763 0.530 0.571 0.429 CB 1.298 8 residues pruned to eliminate duplicates Z: 12 11.384 1.877 0.282 0.859 0.909 0.636 CB 1.155 Z: 9 16.118 1.871 0.708 0.844 0.875 0.750 N 1.516 9 residues pruned to eliminate duplicates Z: 7 6.627 1.842 0.553 0.460 0.833 0.667 CB 1.182 Z: 28 41.085 2.017 0.891 0.929 0.963 0.704 CB 1.507 28 residues pruned to eliminate duplicates Z: 9 3.904 1.735 0.597 0.452 0.875 0.625 CB 0.599 Z: 117 66.121 2.231 0.762 0.623 0.922 0.621 CB 1.507 68 residues pruned to eliminate duplicates Z: 15 16.593 1.650 0.648 0.887 0.929 0.857 CA 1.266 15 residues pruned to eliminate duplicates Z: 16 11.731 1.981 0.517 0.331 0.933 0.400 CB 1.298 16 residues pruned to eliminate duplicates Z: 55 42.777 2.109 0.666 0.735 0.889 0.648 CB 1.509 55 residues pruned to eliminate duplicates Z: 15 7.304 1.784 0.295 0.385 0.786 0.500 CB 1.215 15 residues pruned to eliminate duplicates Z: 8 7.679 1.887 0.728 0.610 0.714 0.714 CB 1.123 7 residues pruned to eliminate duplicates Z: 10 10.056 1.942 0.129 0.772 0.889 0.556 CA 1.352 10 residues pruned to eliminate duplicates Z: 12 22.677 2.051 0.569 0.925 1.000 1.000 CA 1.491 12 residues pruned to eliminate duplicates Z: 32 17.622 1.800 0.615 0.551 0.871 0.613 CB 1.190 41 residues pruned to eliminate duplicates Z: 9 15.198 1.799 0.575 0.890 1.000 0.875 CB 1.364 9 residues pruned to eliminate duplicates Z: 14 20.421 1.962 0.389 0.940 1.000 0.923 CB 1.443 14 residues pruned to eliminate duplicates Z: 15 26.553 2.023 0.563 0.922 1.000 0.286 CB 1.578 15 residues pruned to eliminate duplicates Z: 14 30.674 2.018 0.868 0.883 1.000 0.923 CA 1.631 14 residues pruned to eliminate duplicates Z: 27 34.225 1.980 0.852 0.886 0.923 0.462 CB 1.430 27 residues pruned to eliminate duplicates Z: 9 11.678 1.734 0.344 0.786 1.000 0.625 CB 1.378 9 residues pruned to eliminate duplicates Z: 11 11.781 1.760 0.632 0.845 0.900 0.700 CB 1.071 11 residues pruned to eliminate duplicates Z: 9 7.457 1.688 0.163 0.773 0.750 0.500 N 1.406 Z: 14 16.572 1.795 0.404 0.929 1.000 0.923 CB 1.277 12 residues pruned to eliminate duplicates Z: 15 21.015 1.989 0.554 0.920 0.857 0.786 CB 1.493 15 residues pruned to eliminate duplicates Z: 17 21.006 1.932 0.424 0.877 0.938 0.750 CA 1.478 17 residues pruned to eliminate duplicates Z: 6 4.332 1.432 0.811 0.362 0.800 0.600 O 1.083 9 residues pruned to eliminate duplicates Z: 12 18.066 1.971 0.612 0.882 1.000 0.545 CB 1.241 13 residues pruned to eliminate duplicates Z: 6 9.533 1.818 0.693 0.695 1.000 0.600 CA 1.159 7 residues pruned to eliminate duplicates Z: 14 24.228 2.100 0.488 0.821 1.000 0.846 CA 1.628 14 residues pruned to eliminate duplicates Z: 16 27.478 1.977 0.865 0.881 0.867 0.467 CB 1.608 16 residues pruned to eliminate duplicates Z: 27 11.437 1.566 0.414 0.481 0.885 0.462 CB 1.168 17 residues pruned to eliminate duplicates Z: 24 28.855 1.873 0.894 0.899 0.913 0.478 CB 1.328 24 residues pruned to eliminate duplicates Z: 28 33.671 2.004 0.409 0.940 1.000 0.926 CB 1.593 28 residues pruned to eliminate duplicates Z: 9 9.956 1.613 0.743 0.850 0.750 0.750 CB 1.237 Z: 7 5.808 1.765 0.057 0.661 0.833 0.833 CB 1.314 9 residues pruned to eliminate duplicates Z: 7 13.441 1.956 0.591 0.828 1.000 0.833 CA 1.329 7 residues pruned to eliminate duplicates Z: 17 12.245 1.871 0.362 0.468 0.938 0.688 CB 1.324 17 residues pruned to eliminate duplicates Z: 23 24.290 1.827 0.552 0.921 1.000 0.864 CB 1.286 23 residues pruned to eliminate duplicates Z: 12 12.548 1.741 0.593 0.879 0.818 0.818 CA 1.209 12 residues pruned to eliminate duplicates 8 1.607 1.417 0.121 0.370 0.571 0.429 CB 0.770 ? Z: 8 15.014 1.713 0.769 0.864 1.000 1.000 CA 1.373 8 residues pruned to eliminate duplicates Z: 10 8.824 2.002 0.649 0.551 0.889 0.778 CB 0.954 8 residues pruned to eliminate duplicates Z: 63 34.460 2.055 0.672 0.532 0.968 0.565 CB 1.275 63 residues pruned to eliminate duplicates Z: 9 17.036 1.985 0.514 0.909 0.875 0.750 N 1.625 9 residues pruned to eliminate duplicates Z: 36 32.977 1.974 0.754 0.745 0.943 0.543 CB 1.371 36 residues pruned to eliminate duplicates Z: 9 10.269 1.685 0.305 0.842 0.875 0.375 N 1.406 9 residues pruned to eliminate duplicates Z: 22 24.137 1.902 0.429 0.939 1.000 0.905 CB 1.347 22 residues pruned to eliminate duplicates Z: 15 25.072 2.037 0.631 0.812 1.000 0.714 CA 1.537 15 residues pruned to eliminate duplicates Z: 22 15.667 1.908 0.708 0.539 0.762 0.571 CB 1.326 22 residues pruned to eliminate duplicates Z: 14 25.676 2.165 0.534 0.899 1.000 0.769 CA 1.533 14 residues pruned to eliminate duplicates Z: 14 24.365 2.127 0.909 0.875 0.923 0.462 CB 1.311 14 residues pruned to eliminate duplicates Z: 7 9.335 1.650 0.463 0.818 1.000 0.333 CB 1.198 7 residues pruned to eliminate duplicates Z: 8 6.016 1.795 0.669 0.551 0.857 0.714 CB 0.843 8 residues pruned to eliminate duplicates Z: 17 29.508 2.051 0.730 0.857 1.000 0.812 CA 1.532 17 residues pruned to eliminate duplicates Z: 13 7.689 2.010 0.087 0.455 0.750 0.667 CB 1.419 14 residues pruned to eliminate duplicates Z: 9 17.562 1.890 0.971 0.870 0.875 0.750 CA 1.391 9 residues pruned to eliminate duplicates Z: 11 13.964 1.817 0.499 0.874 1.000 0.600 CB 1.179 11 residues pruned to eliminate duplicates Z: 13 4.990 1.866 0.148 0.392 0.750 0.667 CB 1.005 13 residues pruned to eliminate duplicates Z: 30 23.565 1.833 0.618 0.643 1.000 0.690 CB 1.290 17 residues pruned to eliminate duplicates Z: 13 22.639 1.899 0.565 0.921 1.000 0.833 CA 1.548 13 residues pruned to eliminate duplicates Z: 25 21.718 1.927 0.561 0.827 0.833 0.458 CB 1.332 25 residues pruned to eliminate duplicates Z: 29 22.443 1.934 0.478 0.659 0.857 0.607 CB 1.494 20 residues pruned to eliminate duplicates Z: 13 17.410 1.769 0.567 0.860 0.917 0.833 CB 1.454 13 residues pruned to eliminate duplicates Z: 7 6.491 1.961 0.345 0.627 1.000 0.833 CB 0.891 6 residues pruned to eliminate duplicates Z: 6 15.152 2.092 0.654 0.840 1.000 1.000 CB 1.462 6 residues pruned to eliminate duplicates Z: 8 6.913 1.601 0.658 0.484 0.857 0.714 CB 1.167 Z: 113 52.321 2.012 0.736 0.587 0.920 0.571 CB 1.416 116 residues pruned to eliminate duplicates Z: 26 19.002 1.883 0.481 0.709 0.880 0.600 CB 1.281 26 residues pruned to eliminate duplicates Z: 8 2.704 1.573 0.325 0.378 0.714 0.429 CB 0.782 Z: 23 30.410 2.142 0.914 0.663 0.864 0.591 CB 1.574 23 residues pruned to eliminate duplicates Z: 7 4.527 1.524 0.737 0.268 0.833 0.333 CB 1.091 Z: 15 4.890 1.596 0.158 0.504 0.929 0.500 CB 0.759 Z: 9 8.536 1.872 0.406 0.745 0.875 0.875 CB 1.052 9 residues pruned to eliminate duplicates Z: 13 20.587 2.020 0.428 0.910 1.000 0.667 CB 1.460 13 residues pruned to eliminate duplicates Z: 7 12.173 1.992 0.382 0.858 1.000 0.833 CA 1.330 7 residues pruned to eliminate duplicates Z: 23 19.624 1.812 0.385 0.905 0.955 0.773 CB 1.243 23 residues pruned to eliminate duplicates Z: 10 9.388 2.189 -0.142 0.591 1.000 0.778 CA 1.529 10 residues pruned to eliminate duplicates Z: 28 48.734 2.118 0.998 0.937 1.000 0.630 CB 1.542 28 residues pruned to eliminate duplicates Z: 8 13.705 1.929 0.644 0.693 1.000 0.857 CA 1.368 8 residues pruned to eliminate duplicates Z: 72 33.273 2.045 0.628 0.477 0.915 0.634 CB 1.326 72 residues pruned to eliminate duplicates Z: 6 6.714 1.340 0.561 0.732 1.000 0.800 O 1.165 Z: 15 20.178 1.992 0.346 0.918 0.929 0.857 CB 1.528 15 residues pruned to eliminate duplicates Z: 28 56.824 2.186 1.163 0.956 1.000 0.593 CB 1.588 28 residues pruned to eliminate duplicates Z: 12 39.027 2.279 1.269 0.931 0.909 0.727 CA 1.749 12 residues pruned to eliminate duplicates Z: 59 54.732 2.225 0.762 0.789 0.914 0.741 CB 1.555 59 residues pruned to eliminate duplicates Z: 13 19.488 2.118 0.497 0.892 1.000 0.667 CB 1.275 13 residues pruned to eliminate duplicates Z: 9 10.508 1.664 0.230 0.823 1.000 0.500 CB 1.371 9 residues pruned to eliminate duplicates Z: 24 29.145 2.011 0.793 0.851 0.870 0.435 CB 1.435 24 residues pruned to eliminate duplicates Z: 10 8.745 1.703 0.421 0.779 0.889 0.667 CA 1.060 10 residues pruned to eliminate duplicates Z: 11 14.392 1.918 0.355 0.816 1.000 0.600 CA 1.331 11 residues pruned to eliminate duplicates Z: 28 24.345 1.960 0.619 0.664 0.852 0.556 CB 1.489 26 residues pruned to eliminate duplicates Z: 6 12.009 1.875 1.140 0.778 1.000 0.800 CA 1.047 6 residues pruned to eliminate duplicates Z: 8 7.804 1.887 0.063 0.860 1.000 1.000 CB 1.081 8 residues pruned to eliminate duplicates Z: 18 10.230 1.740 0.273 0.456 0.941 0.529 CB 1.245 18 residues pruned to eliminate duplicates Z: 25 23.496 1.919 0.620 0.672 0.958 0.750 CB 1.374 26 residues pruned to eliminate duplicates Z: 12 41.657 2.284 1.259 0.848 1.000 0.636 CB 1.807 12 residues pruned to eliminate duplicates Z: 31 52.983 2.265 0.801 0.939 1.000 0.900 CA 1.647 31 residues pruned to eliminate duplicates Z: 7 4.888 1.752 0.319 0.742 0.833 0.333 CB 0.834 7 residues pruned to eliminate duplicates Z: 101 76.139 2.282 0.929 0.626 0.940 0.680 CB 1.633 101 residues pruned to eliminate duplicates Z: 17 15.569 1.841 0.473 0.712 0.938 0.750 CB 1.264 17 residues pruned to eliminate duplicates Z: 13 22.751 1.939 0.610 0.898 1.000 0.917 CB 1.505 13 residues pruned to eliminate duplicates Z: 8 4.614 1.518 0.353 0.549 1.000 0.571 N 0.809 Z: 31 32.665 1.871 0.634 0.906 1.000 0.700 CB 1.387 31 residues pruned to eliminate duplicates Z: 17 22.767 2.053 0.357 0.876 1.000 0.812 CA 1.485 17 residues pruned to eliminate duplicates Z: 13 17.362 1.894 0.478 0.894 1.000 0.583 CB 1.285 13 residues pruned to eliminate duplicates Z: 22 24.684 2.043 0.801 0.703 0.905 0.381 CB 1.345 22 residues pruned to eliminate duplicates Z: 7 3.683 1.645 0.490 0.419 0.667 0.500 CB 1.001 Z: 72 33.073 2.014 0.665 0.519 0.915 0.507 CB 1.254 72 residues pruned to eliminate duplicates Z: 17 21.040 1.821 0.507 0.891 1.000 0.875 CA 1.378 17 residues pruned to eliminate duplicates Z: 16 23.654 2.133 0.455 0.874 0.933 0.800 CA 1.534 16 residues pruned to eliminate duplicates Z: 16 19.307 1.793 0.446 0.895 1.000 0.867 O 1.378 18 residues pruned to eliminate duplicates Z: 10 17.956 1.868 0.877 0.880 0.889 0.889 CB 1.392 10 residues pruned to eliminate duplicates Z: 32 19.941 1.809 0.650 0.623 0.839 0.548 CB 1.275 32 residues pruned to eliminate duplicates Z: 58 28.385 2.011 0.623 0.550 0.877 0.386 CB 1.251 44 residues pruned to eliminate duplicates Z: 41 20.791 2.023 0.670 0.475 0.750 0.425 CB 1.331 41 residues pruned to eliminate duplicates Z: 13 5.244 1.822 0.333 0.318 0.833 0.667 CB 0.915 13 residues pruned to eliminate duplicates Z: 6 12.437 1.862 0.596 0.836 1.000 0.800 N 1.401 6 residues pruned to eliminate duplicates Z: 8 12.418 1.878 0.412 0.840 1.000 1.000 CA 1.320 8 residues pruned to eliminate duplicates Z: 15 11.973 1.886 0.599 0.442 0.929 0.500 CB 1.213 14 residues pruned to eliminate duplicates Z: 12 34.365 1.947 1.187 0.918 1.000 0.545 CB 1.716 12 residues pruned to eliminate duplicates Z: 6 3.725 1.540 0.221 0.469 0.800 0.800 C 1.144 7 residues pruned to eliminate duplicates Z: 29 49.293 2.105 1.108 0.946 0.964 0.571 CB 1.506 29 residues pruned to eliminate duplicates Z: 30 43.963 2.046 0.971 0.938 0.966 0.655 CA 1.458 30 residues pruned to eliminate duplicates Z: 11 12.793 1.997 0.451 0.383 1.000 0.700 CB 1.581 11 residues pruned to eliminate duplicates Z: 17 27.163 2.083 0.555 0.870 1.000 0.812 CA 1.531 17 residues pruned to eliminate duplicates Z: 16 13.668 1.855 0.469 0.616 0.933 0.867 CB 1.242 16 residues pruned to eliminate duplicates Z: 28 33.053 2.015 0.741 0.905 0.889 0.519 CB 1.452 28 residues pruned to eliminate duplicates Z: 6 2.563 1.622 0.253 0.526 0.600 0.600 CB 0.915 6 residues pruned to eliminate duplicates Z: 25 19.326 1.935 0.730 0.449 0.917 0.542 CB 1.355 36 residues pruned to eliminate duplicates Z: 12 13.156 1.844 0.504 0.887 1.000 0.364 CB 1.031 12 residues pruned to eliminate duplicates Z: 13 12.868 1.816 0.426 0.888 0.917 0.750 CA 1.127 13 residues pruned to eliminate duplicates Z: 18 14.550 1.851 0.491 0.679 0.941 0.824 CB 1.152 18 residues pruned to eliminate duplicates Z: 11 9.816 1.936 0.456 0.513 0.900 0.700 CB 1.207 11 residues pruned to eliminate duplicates Z: 8 9.882 1.695 0.462 0.780 1.000 0.857 CA 1.178 8 residues pruned to eliminate duplicates Z: 39 28.462 2.049 0.582 0.603 0.974 0.579 CB 1.326 39 residues pruned to eliminate duplicates Z: 13 13.528 1.926 0.243 0.907 0.917 0.917 CB 1.265 13 residues pruned to eliminate duplicates Z: 8 3.577 1.457 0.441 0.346 0.857 0.429 CB 0.888 5 residues pruned to eliminate duplicates Z: 6 8.553 1.707 0.481 0.807 1.000 1.000 CB 1.158 6 residues pruned to eliminate duplicates Z: 12 17.139 1.859 0.499 0.877 1.000 0.727 CA 1.346 12 residues pruned to eliminate duplicates Z: 7 8.551 1.703 0.327 0.728 1.000 0.833 CA 1.258 7 residues pruned to eliminate duplicates Z: 25 27.119 1.913 0.409 0.865 1.000 0.917 CB 1.504 25 residues pruned to eliminate duplicates Z: 15 20.014 1.985 0.373 0.870 1.000 0.929 CB 1.433 15 residues pruned to eliminate duplicates Z: 24 27.403 2.019 0.599 0.844 0.913 0.565 CB 1.442 24 residues pruned to eliminate duplicates Z: 24 46.804 2.251 1.064 0.913 0.870 0.739 CB 1.709 24 residues pruned to eliminate duplicates Z: 11 10.898 1.697 0.591 0.844 0.900 0.500 CB 1.055 11 residues pruned to eliminate duplicates Z: 14 20.744 1.702 0.912 0.896 0.923 0.615 CA 1.372 14 residues pruned to eliminate duplicates Z: 16 7.388 1.741 0.347 0.414 0.733 0.600 CB 1.214 16 residues pruned to eliminate duplicates Z: 14 22.384 1.924 0.544 0.904 1.000 1.000 CA 1.488 14 residues pruned to eliminate duplicates Z: 8 10.503 1.599 0.738 0.849 0.857 0.286 CB 1.236 7 residues pruned to eliminate duplicates Z: 23 28.708 1.880 0.892 0.942 0.955 0.727 CB 1.250 23 residues pruned to eliminate duplicates Z: 39 32.760 2.135 0.768 0.542 0.895 0.474 CB 1.510 45 residues pruned to eliminate duplicates Z: 22 32.299 1.974 1.065 0.925 0.857 0.286 CB 1.416 22 residues pruned to eliminate duplicates Z: 29 40.552 2.075 1.099 0.881 0.893 0.571 CB 1.428 29 residues pruned to eliminate duplicates Z: 10 16.388 1.777 0.808 0.886 1.000 0.667 CB 1.227 10 residues pruned to eliminate duplicates Z: 8 9.217 1.888 0.054 0.861 1.000 0.857 CB 1.286 8 residues pruned to eliminate duplicates Z: 24 43.734 2.133 1.147 0.926 1.000 0.652 CB 1.396 24 residues pruned to eliminate duplicates Z: 26 40.265 2.055 0.901 0.918 0.960 0.680 CB 1.515 26 residues pruned to eliminate duplicates Z: 23 29.979 2.294 0.502 0.814 0.909 0.864 CA 1.553 23 residues pruned to eliminate duplicates Z: 9 15.728 2.027 0.603 0.827 1.000 0.500 CB 1.289 9 residues pruned to eliminate duplicates Z: 9 5.756 1.672 0.635 0.802 0.875 0.375 CB 0.654 9 residues pruned to eliminate duplicates Z: 8 5.456 1.556 0.532 0.788 0.714 0.429 CB 0.940 8 residues pruned to eliminate duplicates Z: 11 16.764 1.853 0.643 0.911 1.000 0.900 CB 1.234 11 residues pruned to eliminate duplicates Z: 14 12.562 1.886 0.308 0.855 0.846 0.692 CB 1.232 14 residues pruned to eliminate duplicates Z: 8 8.284 1.938 0.287 0.835 1.000 0.714 CB 0.940 8 residues pruned to eliminate duplicates Z: 14 9.155 1.971 0.632 0.389 0.692 0.538 CB 1.283 14 residues pruned to eliminate duplicates Z: 17 21.032 1.897 0.361 0.861 1.000 0.812 CA 1.497 17 residues pruned to eliminate duplicates Z: 27 24.453 1.899 0.579 0.717 0.923 0.462 CB 1.424 27 residues pruned to eliminate duplicates Z: 6 6.731 1.364 0.756 0.755 1.000 0.400 O 1.002 Z: 43 23.331 1.995 0.465 0.489 0.881 0.500 CB 1.414 43 residues pruned to eliminate duplicates Z: 7 13.082 2.066 0.479 0.768 1.000 0.667 CB 1.378 7 residues pruned to eliminate duplicates Z: 13 19.083 1.910 0.375 0.899 1.000 0.917 CA 1.500 13 residues pruned to eliminate duplicates Z: 24 24.779 1.964 0.662 0.917 0.870 0.609 CB 1.284 24 residues pruned to eliminate duplicates Z: 23 22.794 1.857 0.456 0.918 0.955 0.818 CB 1.328 23 residues pruned to eliminate duplicates Z: 18 10.551 1.801 0.404 0.414 0.882 0.588 CB 1.255 18 residues pruned to eliminate duplicates Z: 11 6.949 1.814 0.459 0.480 0.800 0.400 CB 1.060 11 residues pruned to eliminate duplicates Z: 10 17.024 1.921 0.473 0.870 1.000 0.889 CB 1.464 10 residues pruned to eliminate duplicates Z: 36 19.605 1.968 0.752 0.405 0.771 0.457 CB 1.377 36 residues pruned to eliminate duplicates Z: 22 21.358 1.880 0.402 0.922 0.952 0.857 CB 1.305 22 residues pruned to eliminate duplicates Z: 17 9.792 1.767 0.199 0.492 1.000 0.688 CB 1.164 17 residues pruned to eliminate duplicates Z: 15 26.987 2.079 0.661 0.925 0.929 0.786 CB 1.578 15 residues pruned to eliminate duplicates Z: 7 6.880 1.909 0.214 0.638 0.833 0.833 CB 1.278 7 residues pruned to eliminate duplicates Z: 10 10.135 1.808 0.469 0.525 1.000 0.667 CB 1.241 12 residues pruned to eliminate duplicates Z: 29 30.098 2.092 0.761 0.611 0.893 0.357 CB 1.555 29 residues pruned to eliminate duplicates Z: 9 5.691 1.430 0.916 0.429 0.750 0.500 CA 1.055 Z: 23 27.608 1.858 0.826 0.907 0.955 0.682 CB 1.292 23 residues pruned to eliminate duplicates Z: 36 32.468 2.026 0.681 0.758 0.943 0.486 CB 1.359 36 residues pruned to eliminate duplicates Z: 10 11.524 1.843 0.313 0.786 0.889 0.556 CB 1.388 10 residues pruned to eliminate duplicates Z: 17 15.864 1.629 0.756 0.904 0.875 0.625 CB 1.128 17 residues pruned to eliminate duplicates Z: 17 13.941 1.967 0.624 0.550 0.938 0.625 CB 1.108 21 residues pruned to eliminate duplicates Z: 8 10.842 1.683 0.371 0.845 1.000 0.571 CA 1.321 Z: 17 27.653 2.084 0.825 0.870 0.875 0.562 CA 1.517 17 residues pruned to eliminate duplicates Z: 10 12.656 1.752 0.574 0.907 0.889 0.889 CB 1.223 10 residues pruned to eliminate duplicates Z: 16 20.449 1.858 0.792 0.695 0.933 0.667 CA 1.422 16 residues pruned to eliminate duplicates Z: 21 24.041 1.797 0.781 0.840 0.950 0.650 CA 1.320 33 residues pruned to eliminate duplicates Z: 6 2.259 1.313 0.321 0.483 0.800 0.600 N 0.740 6 residues pruned to eliminate duplicates Z: 31 44.439 2.120 0.875 0.882 0.967 0.667 CA 1.528 31 residues pruned to eliminate duplicates Z: 15 11.143 1.675 0.327 0.868 1.000 0.786 CB 0.980 14 residues pruned to eliminate duplicates Z: 71 29.765 2.008 0.645 0.530 0.886 0.543 CB 1.180 61 residues pruned to eliminate duplicates Z: 7 9.387 2.091 0.422 0.739 1.000 0.667 CB 1.041 7 residues pruned to eliminate duplicates Z: 24 33.316 1.974 0.830 0.917 0.957 0.652 CB 1.419 24 residues pruned to eliminate duplicates Z: 22 38.514 2.067 0.955 0.924 0.952 0.571 CB 1.534 22 residues pruned to eliminate duplicates Z: 6 6.174 1.756 0.371 0.544 0.800 0.400 CA 1.373 Z: 7 13.005 1.889 0.707 0.745 1.000 0.667 CB 1.323 7 residues pruned to eliminate duplicates Z: 15 20.275 1.875 0.603 0.918 0.929 0.643 CB 1.369 15 residues pruned to eliminate duplicates Z: 6 2.435 1.204 0.386 0.420 1.000 0.600 CB 0.709 Z: 44 28.177 2.106 0.709 0.534 0.814 0.535 CB 1.418 44 residues pruned to eliminate duplicates Z: 11 13.883 1.871 0.294 0.870 1.000 0.600 CB 1.323 11 residues pruned to eliminate duplicates Z: 15 18.746 1.844 0.446 0.882 1.000 0.786 CB 1.360 15 residues pruned to eliminate duplicates Z: 39 30.136 1.987 0.683 0.722 0.895 0.553 CB 1.337 39 residues pruned to eliminate duplicates Z: 9 10.996 1.953 1.028 0.487 0.875 0.750 CB 1.137 9 residues pruned to eliminate duplicates Z: 10 21.319 1.945 0.877 0.915 1.000 0.889 CB 1.375 10 residues pruned to eliminate duplicates Z: 22 26.837 1.864 0.766 0.938 1.000 0.524 CB 1.237 22 residues pruned to eliminate duplicates Z: 29 28.522 1.894 0.406 0.879 0.964 0.821 CB 1.523 29 residues pruned to eliminate duplicates Z: 23 26.108 1.956 0.644 0.887 0.909 0.500 CB 1.373 23 residues pruned to eliminate duplicates Z: 12 16.825 1.827 0.735 0.836 1.000 0.727 CB 1.198 12 residues pruned to eliminate duplicates Z: 13 25.780 1.803 1.075 0.862 1.000 0.583 CA 1.461 13 residues pruned to eliminate duplicates Z: 14 13.623 2.009 0.761 0.439 0.923 0.615 CB 1.233 14 residues pruned to eliminate duplicates Z: 25 25.776 1.948 0.628 0.677 0.917 0.500 CA 1.538 24 residues pruned to eliminate duplicates Z: 26 37.657 2.071 0.821 0.945 0.920 0.440 CB 1.502 26 residues pruned to eliminate duplicates Z: 7 3.416 1.544 0.125 0.348 0.833 0.333 CB 1.136 Z: 26 17.324 1.873 0.815 0.504 0.920 0.640 CB 1.103 18 residues pruned to eliminate duplicates Z: 17 15.361 1.730 0.740 0.593 0.875 0.562 CB 1.334 18 residues pruned to eliminate duplicates Z: 12 12.765 1.946 0.186 0.837 1.000 0.636 CB 1.247 12 residues pruned to eliminate duplicates Z: 11 6.582 1.916 0.326 0.323 0.800 0.500 CB 1.244 11 residues pruned to eliminate duplicates Z: 21 14.129 1.978 0.368 0.427 0.950 0.600 CB 1.326 21 residues pruned to eliminate duplicates Z: 14 20.690 1.941 0.489 0.927 0.923 0.308 CB 1.506 14 residues pruned to eliminate duplicates Z: 9 4.941 1.615 0.521 0.587 0.625 0.500 N 1.047 9 residues pruned to eliminate duplicates Z: 19 29.041 1.891 0.948 0.889 0.944 0.500 CB 1.416 19 residues pruned to eliminate duplicates Z: 7 11.295 2.140 0.394 0.766 0.833 0.667 CB 1.465 7 residues pruned to eliminate duplicates Z: 26 24.298 2.061 0.723 0.549 0.960 0.600 CB 1.359 26 residues pruned to eliminate duplicates Z: 29 29.569 2.049 0.707 0.601 0.929 0.679 CB 1.562 29 residues pruned to eliminate duplicates Z: 6 5.381 1.321 0.425 0.874 1.000 1.000 O 0.930 6 residues pruned to eliminate duplicates Z: 6 3.461 1.810 0.694 0.496 0.600 0.600 CB 0.845 Z: 12 3.556 1.697 0.544 0.256 0.455 0.273 CA 1.191 Z: 21 22.180 1.845 0.655 0.754 0.850 0.650 CB 1.524 21 residues pruned to eliminate duplicates Z: 33 26.932 1.863 0.714 0.725 0.969 0.406 CB 1.257 31 residues pruned to eliminate duplicates Z: 8 11.765 1.692 0.621 0.800 0.857 0.714 CA 1.455 8 residues pruned to eliminate duplicates Z: 8 15.380 1.814 0.593 0.880 1.000 0.857 N 1.458 8 residues pruned to eliminate duplicates Z: 20 16.216 1.924 0.598 0.419 0.895 0.526 CB 1.472 20 residues pruned to eliminate duplicates Z: 34 32.031 2.072 0.573 0.649 0.970 0.727 CB 1.536 34 residues pruned to eliminate duplicates Z: 8 5.231 1.670 0.134 0.287 1.000 0.429 CB 1.326 Z: 26 21.633 1.902 0.565 0.660 0.920 0.720 CB 1.362 26 residues pruned to eliminate duplicates Z: 38 33.532 2.031 0.617 0.691 0.973 0.595 CB 1.449 38 residues pruned to eliminate duplicates Z: 18 14.241 1.919 0.558 0.485 0.882 0.765 CB 1.329 18 residues pruned to eliminate duplicates 8 1.812 1.592 -0.027 0.265 0.714 0.286 CB 0.809 ? Z: 7 12.199 2.114 0.775 0.485 1.000 0.833 CB 1.347 Z: 17 19.258 1.844 0.703 0.852 0.875 0.750 CB 1.296 17 residues pruned to eliminate duplicates Z: 17 21.226 1.863 0.632 0.859 0.875 0.562 CA 1.468 17 residues pruned to eliminate duplicates Z: 23 31.296 2.036 0.727 0.664 1.000 0.500 CB 1.630 23 residues pruned to eliminate duplicates 7 1.963 1.455 0.481 0.242 0.667 0.500 CB 0.753 ? Z: 6 3.602 1.369 0.476 0.521 0.800 0.800 N 0.976 6 residues pruned to eliminate duplicates Z: 16 22.950 1.885 0.409 0.869 1.000 0.733 CB 1.629 16 residues pruned to eliminate duplicates Z: 14 24.413 1.917 0.601 0.920 1.000 0.923 CB 1.554 14 residues pruned to eliminate duplicates Z: 29 39.522 2.035 0.779 0.901 1.000 0.786 CB 1.473 29 residues pruned to eliminate duplicates Z: 10 17.835 1.912 0.846 0.898 0.889 0.889 CB 1.356 10 residues pruned to eliminate duplicates Z: 11 24.559 2.247 0.509 0.868 1.000 0.800 CA 1.674 11 residues pruned to eliminate duplicates Z: 13 6.436 1.707 0.357 0.388 0.667 0.583 CB 1.354 13 residues pruned to eliminate duplicates Z: 30 30.346 2.100 0.434 0.947 0.966 0.931 CA 1.340 30 residues pruned to eliminate duplicates Z: 13 6.101 1.690 0.482 0.335 0.750 0.583 CB 1.123 13 residues pruned to eliminate duplicates Z: 8 6.877 1.674 0.023 0.541 1.000 0.714 O 1.458 6 residues pruned to eliminate duplicates Z: 14 9.474 1.784 0.515 0.511 0.769 0.615 CB 1.250 14 residues pruned to eliminate duplicates Z: 28 20.623 2.098 0.580 0.460 0.926 0.481 CB 1.347 28 residues pruned to eliminate duplicates Z: 11 8.763 1.881 0.755 0.421 0.800 0.500 CB 1.140 9 residues pruned to eliminate duplicates Z: 8 4.454 1.841 0.118 0.287 0.857 0.429 CB 1.213 8 residues pruned to eliminate duplicates Z: 6 5.320 1.656 0.322 0.632 1.000 0.800 CB 0.960 Z: 14 17.831 1.856 0.643 0.869 0.846 0.846 CA 1.400 14 residues pruned to eliminate duplicates Z: 12 18.585 1.981 0.619 0.909 0.909 0.636 CB 1.365 16 residues pruned to eliminate duplicates Z: 25 26.298 1.980 0.315 0.889 1.000 0.875 CB 1.484 25 residues pruned to eliminate duplicates Z: 16 14.947 1.690 0.177 0.909 1.000 1.000 CB 1.377 16 residues pruned to eliminate duplicates Z: 9 15.210 1.827 0.586 0.895 1.000 0.875 CB 1.330 9 residues pruned to eliminate duplicates Z: 20 35.351 2.160 0.907 0.921 0.895 0.526 CB 1.549 20 residues pruned to eliminate duplicates Z: 10 13.142 1.888 0.299 0.896 1.000 1.000 CB 1.279 10 residues pruned to eliminate duplicates Z: 30 31.075 2.143 0.756 0.567 0.897 0.517 CB 1.603 30 residues pruned to eliminate duplicates Z: 20 9.628 1.585 0.284 0.537 0.895 0.632 CB 1.170 20 residues pruned to eliminate duplicates Z: 26 20.983 1.948 0.513 0.598 0.880 0.480 CB 1.474 26 residues pruned to eliminate duplicates Z: 12 12.049 1.749 0.191 0.848 1.000 0.636 CB 1.294 12 residues pruned to eliminate duplicates Z: 9 5.747 1.694 0.381 0.383 0.875 0.500 CB 1.124 7 residues pruned to eliminate duplicates Z: 9 14.149 1.675 0.828 0.885 1.000 0.750 CA 1.179 10 residues pruned to eliminate duplicates Z: 8 12.140 1.963 0.489 0.865 0.857 0.714 CA 1.342 8 residues pruned to eliminate duplicates Z: 6 3.163 1.326 0.741 0.300 0.800 0.600 C 0.958 Z: 54 30.112 2.140 0.640 0.440 0.868 0.434 CB 1.444 54 residues pruned to eliminate duplicates Z: 15 24.206 1.951 0.522 0.904 1.000 0.786 CB 1.551 15 residues pruned to eliminate duplicates Z: 6 2.785 1.796 0.173 0.649 0.800 0.600 CB 0.643 Z: 13 15.186 1.930 0.470 0.892 0.917 0.667 CB 1.211 13 residues pruned to eliminate duplicates Z: 20 31.204 2.022 0.951 0.715 0.947 0.684 CB 1.577 20 residues pruned to eliminate duplicates Z: 39 17.927 1.997 0.401 0.451 0.868 0.553 CB 1.258 39 residues pruned to eliminate duplicates Z: 10 10.041 1.807 0.020 0.835 1.000 0.778 CA 1.360 10 residues pruned to eliminate duplicates Z: 22 26.685 2.025 0.566 0.882 0.905 0.810 CB 1.469 22 residues pruned to eliminate duplicates Z: 16 18.525 1.869 0.481 0.870 0.933 0.733 CA 1.351 16 residues pruned to eliminate duplicates Z: 25 22.024 1.903 0.297 0.843 0.917 0.917 CB 1.479 25 residues pruned to eliminate duplicates Z: 23 29.395 2.012 0.663 0.879 0.909 0.636 CB 1.494 23 residues pruned to eliminate duplicates Z: 29 34.430 1.951 0.934 0.894 0.893 0.464 CB 1.385 29 residues pruned to eliminate duplicates Z: 30 36.485 1.915 0.833 0.900 0.966 0.586 CB 1.428 30 residues pruned to eliminate duplicates Z: 6 2.273 1.373 0.656 0.295 0.600 0.400 CB 0.937 Z: 19 27.741 1.859 0.954 0.890 0.889 0.556 CB 1.456 19 residues pruned to eliminate duplicates Z: 9 5.887 1.853 0.718 0.405 0.750 0.500 CB 0.963 9 residues pruned to eliminate duplicates Z: 11 14.234 1.895 0.333 0.897 1.000 0.800 CB 1.276 11 residues pruned to eliminate duplicates Z: 32 29.320 2.063 0.648 0.640 0.935 0.548 CB 1.452 32 residues pruned to eliminate duplicates Z: 12 10.607 1.757 0.687 0.844 0.818 0.727 CB 0.981 12 residues pruned to eliminate duplicates Z: 9 6.941 1.690 0.212 0.754 0.750 0.500 CA 1.275 9 residues pruned to eliminate duplicates Z: 22 25.071 2.047 0.696 0.659 0.905 0.381 CB 1.503 22 residues pruned to eliminate duplicates Z: 14 13.206 1.885 0.370 0.536 0.923 0.538 CB 1.483 14 residues pruned to eliminate duplicates Z: 40 13.065 1.956 0.294 0.427 0.795 0.590 CB 1.121 40 residues pruned to eliminate duplicates Z: 18 19.076 1.834 0.604 0.681 0.882 0.412 CB 1.509 18 residues pruned to eliminate duplicates Z: 15 11.967 1.643 0.763 0.483 0.857 0.429 CB 1.310 21 residues pruned to eliminate duplicates Z: 29 36.131 2.165 0.811 0.626 0.929 0.464 CB 1.665 29 residues pruned to eliminate duplicates Z: 29 47.324 2.236 1.185 0.935 0.857 0.571 CB 1.488 29 residues pruned to eliminate duplicates Z: 9 10.963 1.602 0.429 0.836 1.000 0.750 CA 1.267 9 residues pruned to eliminate duplicates Z: 24 31.315 2.015 0.898 0.812 0.913 0.435 CB 1.425 24 residues pruned to eliminate duplicates Z: 27 33.261 1.968 0.699 0.926 1.000 0.962 CA 1.369 26 residues pruned to eliminate duplicates Z: 18 8.272 1.671 0.386 0.397 0.882 0.412 CB 1.094 18 residues pruned to eliminate duplicates Z: 33 29.344 2.045 0.591 0.647 1.000 0.594 CB 1.389 33 residues pruned to eliminate duplicates Z: 93 70.428 2.242 0.814 0.601 0.989 0.630 CB 1.657 93 residues pruned to eliminate duplicates Z: 19 29.995 2.078 0.678 0.824 1.000 0.889 CB 1.531 19 residues pruned to eliminate duplicates Z: 16 20.793 1.859 0.400 0.863 1.000 0.800 CA 1.513 16 residues pruned to eliminate duplicates Z: 15 21.828 1.876 0.430 0.882 1.000 0.929 CA 1.574 15 residues pruned to eliminate duplicates Z: 10 13.396 1.830 0.401 0.875 1.000 1.000 CB 1.266 10 residues pruned to eliminate duplicates Z: 21 31.521 2.075 0.904 0.716 0.950 0.600 CB 1.544 21 residues pruned to eliminate duplicates Z: 7 8.963 1.640 0.513 0.772 1.000 0.833 CA 1.158 7 residues pruned to eliminate duplicates Z: 32 29.118 2.035 0.726 0.601 0.935 0.677 CB 1.446 32 residues pruned to eliminate duplicates Z: 18 24.640 1.982 0.667 0.809 0.941 0.706 CA 1.469 18 residues pruned to eliminate duplicates Z: 7 9.132 2.054 0.262 0.541 1.000 0.667 CB 1.382 7 residues pruned to eliminate duplicates Z: 51 34.373 2.058 0.702 0.536 0.940 0.680 CB 1.425 51 residues pruned to eliminate duplicates Z: 12 6.029 1.781 0.290 0.308 0.818 0.455 CB 1.197 12 residues pruned to eliminate duplicates Z: 19 11.027 1.782 0.716 0.449 0.833 0.611 CB 1.074 19 residues pruned to eliminate duplicates Z: 10 2.538 1.646 -0.009 0.292 0.778 0.444 CB 0.842 Z: 13 6.813 1.718 0.408 0.477 0.833 0.750 CB 0.998 13 residues pruned to eliminate duplicates Z: 8 14.313 1.848 0.769 0.696 1.000 0.857 CB 1.384 8 residues pruned to eliminate duplicates Z: 7 4.315 1.732 0.389 0.502 0.667 0.667 N 1.097 Z: 8 3.389 1.604 0.155 0.336 0.857 0.714 CB 0.965 Z: 11 7.950 1.456 0.335 0.811 1.000 0.700 CB 0.987 11 residues pruned to eliminate duplicates Z: 14 23.808 1.984 0.589 0.871 1.000 0.769 CA 1.527 14 residues pruned to eliminate duplicates Z: 7 4.445 1.456 0.783 0.302 0.833 0.667 N 1.047 Z: 31 25.422 2.015 0.707 0.493 0.900 0.500 CB 1.510 31 residues pruned to eliminate duplicates Z: 28 25.163 2.065 0.468 0.626 0.963 0.741 CB 1.473 28 residues pruned to eliminate duplicates Z: 12 21.256 1.882 0.584 0.883 1.000 0.909 CA 1.555 12 residues pruned to eliminate duplicates Z: 14 23.910 1.905 0.745 0.921 1.000 0.385 CB 1.405 14 residues pruned to eliminate duplicates Z: 21 26.698 1.994 0.622 0.736 1.000 0.750 CB 1.494 21 residues pruned to eliminate duplicates Z: 16 29.691 2.097 0.827 0.872 0.933 0.600 CA 1.562 16 residues pruned to eliminate duplicates Z: 10 16.713 1.836 0.571 0.895 1.000 0.778 CB 1.385 10 residues pruned to eliminate duplicates Z: 6 10.033 2.136 0.624 0.650 0.800 0.600 N 1.406 6 residues pruned to eliminate duplicates Z: 9 10.763 1.639 0.233 0.848 1.000 0.625 CA 1.397 9 residues pruned to eliminate duplicates Z: 10 12.366 1.764 0.595 0.840 0.889 0.667 CB 1.230 10 residues pruned to eliminate duplicates Z: 26 43.688 2.213 1.016 0.933 0.920 0.440 CB 1.486 26 residues pruned to eliminate duplicates Z: 17 19.090 1.693 0.520 0.904 0.938 0.500 CA 1.409 16 residues pruned to eliminate duplicates Z: 10 3.710 1.525 0.313 0.386 0.778 0.556 N 0.896 Z: 9 21.570 2.095 0.684 0.875 1.000 0.750 CB 1.572 9 residues pruned to eliminate duplicates Z: 17 23.213 1.886 0.635 0.828 0.938 0.750 CB 1.512 17 residues pruned to eliminate duplicates Z: 22 28.601 1.919 0.957 0.916 0.952 0.667 CB 1.232 22 residues pruned to eliminate duplicates Z: 18 19.351 1.644 0.739 0.907 0.941 0.647 CB 1.240 18 residues pruned to eliminate duplicates Z: 8 13.958 2.099 0.320 0.774 1.000 0.857 CB 1.494 7 residues pruned to eliminate duplicates Z: 21 27.470 1.893 0.732 0.928 1.000 0.750 CB 1.313 21 residues pruned to eliminate duplicates Z: 12 9.487 1.542 0.475 0.882 0.909 0.545 CB 1.001 11 residues pruned to eliminate duplicates Z: 7 6.689 1.810 -0.033 0.688 1.000 1.000 N 1.312 Z: 6 2.188 1.346 0.227 0.437 0.800 0.800 CB 0.790 Z: 12 9.921 1.692 0.377 0.777 0.818 0.455 CB 1.229 12 residues pruned to eliminate duplicates Z: 55 29.643 2.026 0.685 0.561 0.870 0.593 CB 1.279 55 residues pruned to eliminate duplicates Z: 24 19.129 2.013 0.679 0.455 0.870 0.478 CB 1.420 24 residues pruned to eliminate duplicates Z: 11 10.521 1.651 0.445 0.867 0.800 0.300 CB 1.276 11 residues pruned to eliminate duplicates Z: 10 14.742 1.755 0.648 0.778 0.889 0.667 CB 1.496 10 residues pruned to eliminate duplicates Z: 7 5.401 1.672 0.436 0.722 0.667 0.667 CA 1.127 Z: 6 8.244 1.628 0.902 0.529 1.000 0.600 CA 1.157 6 residues pruned to eliminate duplicates Z: 12 11.976 1.959 0.372 0.862 0.909 0.818 CB 1.085 12 residues pruned to eliminate duplicates Z: 12 20.150 1.909 0.590 0.865 0.909 0.818 CA 1.613 12 residues pruned to eliminate duplicates Z: 101 72.341 2.231 0.897 0.601 0.940 0.580 CB 1.651 101 residues pruned to eliminate duplicates Z: 12 16.654 1.898 0.692 0.846 0.818 0.545 CB 1.420 12 residues pruned to eliminate duplicates Z: 9 13.324 1.981 0.736 0.728 0.875 0.250 CB 1.274 9 residues pruned to eliminate duplicates Z: 11 16.569 1.609 0.679 0.911 1.000 0.700 CB 1.375 11 residues pruned to eliminate duplicates Z: 24 43.756 2.109 1.167 0.918 0.913 0.478 CA 1.543 24 residues pruned to eliminate duplicates Z: 6 4.662 1.759 -0.237 0.786 1.000 0.600 CB 1.207 6 residues pruned to eliminate duplicates Z: 42 26.020 2.011 0.557 0.536 0.878 0.390 CB 1.427 42 residues pruned to eliminate duplicates Z: 14 11.836 1.795 0.248 0.875 1.000 0.692 CB 1.066 14 residues pruned to eliminate duplicates Z: 11 19.140 2.053 0.303 0.917 1.000 0.900 CB 1.597 11 residues pruned to eliminate duplicates Z: 6 2.073 1.667 -0.240 0.605 1.000 0.800 CB 0.662 6 1.071 1.408 0.383 0.298 0.400 0.400 N 0.770 ? Z: 18 21.657 1.672 0.710 0.898 1.000 0.706 CB 1.314 18 residues pruned to eliminate duplicates Z: 13 3.875 1.568 0.211 0.303 0.833 0.500 CB 0.880 Z: 13 26.742 1.982 0.673 0.853 1.000 0.667 CA 1.721 13 residues pruned to eliminate duplicates Z: 11 5.448 1.478 0.537 0.374 0.800 0.300 CB 1.084 Z: 8 7.142 1.579 0.010 0.829 1.000 0.714 O 1.272 8 residues pruned to eliminate duplicates Z: 30 14.977 2.088 0.577 0.302 0.828 0.414 CB 1.273 30 residues pruned to eliminate duplicates Z: 22 15.141 1.953 0.456 0.483 0.857 0.619 CB 1.380 22 residues pruned to eliminate duplicates Z: 47 53.776 2.275 0.851 0.773 0.935 0.848 CA 1.583 47 residues pruned to eliminate duplicates Z: 14 18.729 1.916 0.236 0.935 1.000 1.000 CB 1.529 14 residues pruned to eliminate duplicates Z: 33 29.667 2.044 0.641 0.642 0.969 0.594 CB 1.413 33 residues pruned to eliminate duplicates Z: 7 7.405 1.797 0.420 0.687 1.000 0.833 CB 0.998 Z: 42 29.076 2.012 0.344 0.712 0.902 0.756 CB 1.535 42 residues pruned to eliminate duplicates Z: 7 25.749 2.236 1.209 0.889 1.000 0.500 CB 1.532 7 residues pruned to eliminate duplicates Z: 25 7.791 1.672 0.445 0.383 0.792 0.625 CB 0.942 28 residues pruned to eliminate duplicates Z: 11 7.135 1.577 0.212 0.578 0.900 0.700 N 1.216 11 residues pruned to eliminate duplicates Z: 21 12.018 1.859 0.320 0.563 0.800 0.550 CB 1.288 21 residues pruned to eliminate duplicates Z: 11 12.845 1.983 0.416 0.859 0.800 0.600 CB 1.330 11 residues pruned to eliminate duplicates Z: 8 10.223 1.843 0.373 0.866 1.000 0.714 CB 1.118 8 residues pruned to eliminate duplicates Z: 7 6.327 1.780 0.267 0.714 0.667 0.667 CB 1.415 7 residues pruned to eliminate duplicates Z: 44 29.141 2.070 0.731 0.548 0.860 0.442 CB 1.374 44 residues pruned to eliminate duplicates Z: 10 15.804 1.788 0.658 0.862 1.000 0.778 CB 1.305 10 residues pruned to eliminate duplicates Z: 8 3.715 1.581 0.344 0.357 0.714 0.429 CB 1.079 Z: 44 19.412 1.916 0.513 0.396 0.837 0.558 CB 1.361 44 residues pruned to eliminate duplicates Z: 22 26.396 1.893 0.661 0.921 1.000 0.762 CB 1.289 22 residues pruned to eliminate duplicates Z: 14 22.165 1.897 0.811 0.866 1.000 0.692 CB 1.310 14 residues pruned to eliminate duplicates Z: 47 25.878 1.924 0.466 0.616 0.870 0.696 CB 1.395 47 residues pruned to eliminate duplicates Z: 8 4.964 1.539 0.525 0.371 0.714 0.429 CB 1.285 8 residues pruned to eliminate duplicates Z: 10 8.301 2.061 0.233 0.301 1.000 0.556 CB 1.359 10 residues pruned to eliminate duplicates 7 1.338 1.621 0.084 0.241 0.500 0.333 CB 0.838 ? Z: 19 8.637 1.768 0.344 0.374 0.722 0.500 CB 1.358 14 residues pruned to eliminate duplicates Z: 9 2.057 1.461 0.344 0.248 0.625 0.250 CB 0.792 Z: 22 23.331 1.864 0.498 0.915 1.000 0.810 CB 1.288 22 residues pruned to eliminate duplicates Z: 9 3.120 1.510 0.394 0.326 0.750 0.375 CB 0.846 Z: 10 12.274 1.947 0.484 0.731 1.000 0.667 CB 1.150 10 residues pruned to eliminate duplicates Z: 15 22.563 1.962 0.831 0.895 0.857 0.643 CB 1.404 15 residues pruned to eliminate duplicates Z: 9 11.895 1.704 0.561 0.834 1.000 0.875 CA 1.185 9 residues pruned to eliminate duplicates Z: 11 11.058 1.656 0.195 0.896 1.000 1.000 CB 1.266 14 residues pruned to eliminate duplicates Z: 31 19.012 1.966 0.841 0.344 0.900 0.633 CB 1.263 31 residues pruned to eliminate duplicates Z: 9 9.301 1.686 0.028 0.873 1.000 0.875 N 1.382 9 residues pruned to eliminate duplicates Z: 24 35.854 2.051 0.843 0.871 0.957 0.609 CB 1.509 24 residues pruned to eliminate duplicates Z: 13 11.118 1.540 0.339 0.849 1.000 0.833 CB 1.154 13 residues pruned to eliminate duplicates Z: 7 4.763 1.505 0.686 0.355 0.833 0.500 CB 1.076 Z: 9 15.674 1.850 0.644 0.856 1.000 0.750 CA 1.344 9 residues pruned to eliminate duplicates Z: 13 31.455 1.910 1.200 0.920 1.000 0.750 CA 1.522 12 residues pruned to eliminate duplicates Z: 8 2.363 1.672 0.460 0.349 0.571 0.286 CB 0.754 Z: 13 13.227 1.758 0.199 0.880 1.000 0.750 CB 1.312 10 residues pruned to eliminate duplicates Z: 31 25.371 1.921 0.431 0.677 0.933 0.767 CB 1.534 31 residues pruned to eliminate duplicates Z: 28 31.079 2.030 0.665 0.698 1.000 0.852 CB 1.478 28 residues pruned to eliminate duplicates Z: 9 6.965 1.415 0.300 0.817 0.875 0.750 CA 1.162 9 residues pruned to eliminate duplicates Z: 6 10.245 1.943 0.813 0.549 0.800 0.600 CA 1.550 6 residues pruned to eliminate duplicates Z: 7 8.278 1.654 0.332 0.863 1.000 0.833 CB 1.124 Z: 26 15.241 1.761 0.349 0.654 0.840 0.440 CB 1.323 24 residues pruned to eliminate duplicates 6 0.623 1.355 0.035 0.459 1.000 0.600 CB 0.207 ? Z: 6 5.182 1.494 0.236 0.690 1.000 0.800 N 1.054 Z: 9 6.230 2.284 0.171 0.300 0.750 0.375 CB 1.373 9 residues pruned to eliminate duplicates Z: 25 29.627 1.933 0.833 0.875 0.875 0.458 CB 1.418 25 residues pruned to eliminate duplicates Z: 12 6.265 1.664 0.341 0.795 0.818 0.455 CB 0.799 12 residues pruned to eliminate duplicates Z: 26 18.606 1.866 0.594 0.634 0.840 0.680 CB 1.314 26 residues pruned to eliminate duplicates Z: 18 18.702 1.789 0.497 0.858 0.941 0.765 CB 1.325 18 residues pruned to eliminate duplicates Z: 28 29.476 2.047 0.692 0.691 0.889 0.778 CB 1.547 38 residues pruned to eliminate duplicates Z: 17 29.596 2.078 0.607 0.912 1.000 1.000 CA 1.569 17 residues pruned to eliminate duplicates Z: 10 2.312 1.682 -0.048 0.370 0.667 0.333 CB 0.830 9 residues pruned to eliminate duplicates Z: 13 11.051 1.543 0.405 0.874 1.000 0.833 CB 1.071 13 residues pruned to eliminate duplicates Z: 14 29.081 2.074 0.699 0.902 1.000 0.615 CB 1.633 14 residues pruned to eliminate duplicates Z: 103 83.772 2.169 1.114 0.729 0.951 0.667 CB 1.548 154 residues pruned to eliminate duplicates Z: 6 2.856 1.273 0.572 0.752 1.000 0.800 CA 0.510 Z: 14 7.429 1.667 0.473 0.259 0.769 0.692 O 1.436 14 residues pruned to eliminate duplicates Z: 8 8.501 1.692 0.240 0.847 1.000 0.857 N 1.137 8 residues pruned to eliminate duplicates Z: 10 4.946 1.726 0.293 0.451 0.778 0.444 CB 0.999 10 residues pruned to eliminate duplicates Z: 27 31.344 1.995 0.633 0.735 0.962 0.692 CA 1.590 27 residues pruned to eliminate duplicates Z: 14 14.867 1.742 0.492 0.904 1.000 0.769 CB 1.129 14 residues pruned to eliminate duplicates Z: 24 31.369 2.022 0.814 0.864 0.913 0.696 CB 1.432 24 residues pruned to eliminate duplicates Z: 9 3.600 1.676 0.009 0.391 0.875 0.500 CB 0.965 Z: 12 5.167 1.799 0.144 0.361 0.727 0.364 CB 1.208 12 residues pruned to eliminate duplicates Z: 8 5.204 1.702 0.502 0.219 0.857 0.286 CA 1.248 Z: 9 6.343 1.564 0.196 0.738 1.000 0.875 CB 0.968 Z: 12 11.421 2.068 0.600 0.380 0.818 0.818 CB 1.445 12 residues pruned to eliminate duplicates Z: 13 25.244 1.872 0.953 0.875 1.000 0.750 CB 1.449 Z: 21 18.624 2.061 0.513 0.568 0.850 0.700 CB 1.472 21 residues pruned to eliminate duplicates Z: 6 7.925 1.445 0.730 0.842 1.000 0.600 O 1.056 Z: 9 10.988 1.542 0.607 0.847 0.875 0.750 N 1.330 9 residues pruned to eliminate duplicates Z: 7 4.337 1.451 -0.002 0.570 1.000 0.500 CB 1.144 Z: 39 30.804 2.074 0.638 0.617 0.921 0.526 CB 1.430 39 residues pruned to eliminate duplicates Z: 7 4.186 1.431 0.012 0.667 1.000 0.500 CA 1.012 Z: 8 8.145 1.561 0.242 0.859 1.000 0.857 CB 1.169 8 residues pruned to eliminate duplicates Z: 6 2.535 1.286 0.521 0.368 0.800 0.600 CB 0.835 Z: 43 53.825 2.207 1.027 0.767 0.929 0.786 CB 1.578 43 residues pruned to eliminate duplicates Z: 14 7.054 1.604 0.432 0.432 0.769 0.462 CB 1.188 9 residues pruned to eliminate duplicates Z: 9 13.994 1.719 0.547 0.860 1.000 0.875 CA 1.368 9 residues pruned to eliminate duplicates Z: 6 2.933 1.556 0.380 0.412 0.800 0.400 CB 0.838 6 residues pruned to eliminate duplicates Z: 21 16.909 1.906 0.457 0.664 0.850 0.650 CB 1.376 21 residues pruned to eliminate duplicates Z: 33 16.186 2.094 0.346 0.335 0.844 0.469 CB 1.440 33 residues pruned to eliminate duplicates Z: 47 33.567 1.938 0.722 0.627 0.913 0.609 CB 1.441 62 residues pruned to eliminate duplicates Z: 9 5.877 1.642 0.326 0.508 0.875 0.625 CB 1.083 Z: 6 2.652 1.437 0.088 0.440 1.000 0.600 N 0.807 Z: 6 7.090 1.613 0.659 0.765 1.000 0.800 CB 0.937 6 residues pruned to eliminate duplicates Z: 19 14.057 1.592 0.381 0.830 0.944 0.833 CB 1.200 19 residues pruned to eliminate duplicates Z: 8 13.345 1.816 0.805 0.898 1.000 0.571 CB 1.101 Z: 17 12.406 1.967 0.533 0.334 0.875 0.625 CB 1.411 17 residues pruned to eliminate duplicates Z: 21 18.088 1.628 0.387 0.920 0.950 0.850 CB 1.328 21 residues pruned to eliminate duplicates Z: 90 66.544 2.247 0.814 0.605 0.955 0.697 CB 1.640 98 residues pruned to eliminate duplicates Z: 13 11.650 1.744 0.466 0.509 0.917 0.750 CB 1.423 13 residues pruned to eliminate duplicates Z: 22 17.001 1.832 0.185 0.931 0.952 0.952 CB 1.253 22 residues pruned to eliminate duplicates Z: 36 32.506 2.046 0.618 0.732 0.886 0.571 CB 1.521 36 residues pruned to eliminate duplicates Z: 36 40.168 2.034 0.943 0.733 0.943 0.714 CB 1.478 43 residues pruned to eliminate duplicates Z: 9 11.505 1.919 0.284 0.827 1.000 0.750 CB 1.244 9 residues pruned to eliminate duplicates Z: 6 3.479 1.481 0.429 0.477 1.000 0.800 CB 0.752 Z: 18 18.316 1.603 0.748 0.895 1.000 0.706 CB 1.137 18 residues pruned to eliminate duplicates Z: 61 39.770 2.202 0.751 0.446 0.900 0.567 CB 1.565 74 residues pruned to eliminate duplicates Z: 10 9.406 1.636 0.327 0.888 1.000 1.000 CB 1.041 10 residues pruned to eliminate duplicates Z: 18 18.470 1.782 0.514 0.847 0.941 0.765 CA 1.310 18 residues pruned to eliminate duplicates Z: 16 15.040 1.824 0.581 0.525 0.933 0.533 CA 1.408 16 residues pruned to eliminate duplicates Z: 6 3.545 1.575 0.066 0.385 0.800 0.800 C 1.334 Z: 8 4.816 1.436 0.387 0.569 0.857 0.571 O 0.998 5 residues pruned to eliminate duplicates Z: 6 2.547 1.361 0.324 0.686 1.000 0.800 CB 0.533 Z: 9 5.153 1.865 0.684 0.545 0.750 0.625 CB 0.740 9 residues pruned to eliminate duplicates Z: 6 2.721 1.738 0.417 0.289 1.000 0.600 CB 0.626 6 residues pruned to eliminate duplicates Z: 6 2.024 1.645 0.150 0.261 0.800 0.400 CB 0.786 6 residues pruned to eliminate duplicates Z: 7 2.836 1.557 0.076 0.251 0.833 0.667 N 1.104 Z: 10 5.072 1.549 0.643 0.230 0.778 0.444 CB 1.170 9 residues pruned to eliminate duplicates Z: 18 16.630 1.775 0.699 0.766 0.824 0.588 CB 1.282 18 residues pruned to eliminate duplicates Z: 12 10.377 1.729 0.094 0.762 1.000 0.636 CB 1.310 12 residues pruned to eliminate duplicates Z: 9 3.228 1.634 0.195 0.268 0.625 0.375 N 1.218 9 residues pruned to eliminate duplicates Z: 21 14.073 1.552 0.187 0.902 1.000 0.900 O 1.218 20 residues pruned to eliminate duplicates Z: 7 2.863 1.362 0.747 0.329 0.667 0.333 CB 0.889 Z: 6 9.086 1.490 0.843 0.817 1.000 0.800 N 1.124 6 residues pruned to eliminate duplicates Z: 6 3.140 1.507 0.274 0.366 0.800 0.400 O 1.056 6 1.099 1.213 -0.061 0.294 0.600 0.600 CB 0.906 ? Z: 7 3.527 1.328 0.172 0.536 1.000 0.667 CB 0.893 Z: 10 2.236 1.257 0.489 0.616 0.889 0.667 CB 0.401 Z: 36 36.644 2.027 0.742 0.717 1.000 0.514 CB 1.441 36 residues pruned to eliminate duplicates Z: 35 48.224 2.227 0.824 0.833 0.912 0.882 CA 1.676 35 residues pruned to eliminate duplicates Z: 8 7.055 1.599 0.140 0.905 1.000 1.000 CB 1.041 4 residues pruned to eliminate duplicates Z: 24 42.237 2.095 1.047 0.884 1.000 0.696 CB 1.484 24 residues pruned to eliminate duplicates Z: 31 28.677 1.897 0.658 0.749 0.933 0.633 CB 1.429 38 residues pruned to eliminate duplicates Z: 10 6.309 1.658 0.340 0.514 0.889 0.444 CB 1.050 10 residues pruned to eliminate duplicates Z: 6 10.807 1.972 0.342 0.821 1.000 0.800 CB 1.382 6 residues pruned to eliminate duplicates Z: 7 5.308 1.745 0.184 0.679 0.833 0.833 CB 1.068 11 residues pruned to eliminate duplicates Z: 28 22.300 2.097 0.514 0.493 0.963 0.556 CB 1.414 28 residues pruned to eliminate duplicates Z: 9 3.856 1.407 0.230 0.351 0.875 0.375 N 1.058 Z: 16 24.236 1.926 0.751 0.899 0.933 0.600 CB 1.421 16 residues pruned to eliminate duplicates Z: 71 31.778 2.043 0.639 0.543 0.886 0.529 CB 1.228 71 residues pruned to eliminate duplicates Z: 14 14.786 1.794 0.686 0.630 0.846 0.615 CB 1.418 14 residues pruned to eliminate duplicates Z: 27 31.785 2.146 0.772 0.649 0.885 0.538 CB 1.613 35 residues pruned to eliminate duplicates Z: 11 14.670 1.972 0.446 0.764 0.900 0.700 CA 1.431 11 residues pruned to eliminate duplicates Z: 12 13.485 1.802 0.439 0.553 1.000 0.636 CB 1.489 13 residues pruned to eliminate duplicates Z: 27 18.011 1.866 0.565 0.636 0.923 0.538 CB 1.154 27 residues pruned to eliminate duplicates Z: 6 4.694 1.484 0.423 0.740 0.800 0.400 N 1.002 6 residues pruned to eliminate duplicates Z: 29 34.896 1.984 0.812 0.902 0.893 0.464 CB 1.465 29 residues pruned to eliminate duplicates Z: 10 3.703 1.440 0.316 0.385 0.667 0.333 N 1.104 5 residues pruned to eliminate duplicates Z: 11 13.063 1.846 0.324 0.893 1.000 0.900 CB 1.214 11 residues pruned to eliminate duplicates Z: 13 15.342 1.762 0.668 0.818 0.833 0.333 CB 1.371 13 residues pruned to eliminate duplicates Z: 12 3.583 1.647 0.612 0.179 0.636 0.364 CB 0.942 11 residues pruned to eliminate duplicates Z: 36 28.287 2.169 0.607 0.533 0.886 0.514 CB 1.499 Z: 9 9.774 1.811 0.761 0.808 1.000 0.750 CB 0.829 9 residues pruned to eliminate duplicates Z: 6 2.608 1.722 -0.105 0.390 1.000 0.600 CB 0.850 6 residues pruned to eliminate duplicates Z: 16 10.493 1.890 0.475 0.434 0.733 0.533 CA 1.419 16 residues pruned to eliminate duplicates Z: 9 3.340 1.271 0.468 0.399 0.875 0.250 CB 0.804 Z: 27 28.834 2.014 0.669 0.721 0.962 0.769 CB 1.434 27 residues pruned to eliminate duplicates 6 1.839 1.430 0.730 0.298 0.800 0.600 C 0.520 ? Z: 55 39.031 2.131 0.673 0.585 0.926 0.574 CB 1.483 55 residues pruned to eliminate duplicates Z: 7 12.914 2.014 0.858 0.876 1.000 0.833 CA 1.023 19 residues pruned to eliminate duplicates Z: 33 14.513 1.937 0.532 0.330 0.781 0.406 CB 1.332 33 residues pruned to eliminate duplicates Z: 11 13.453 1.622 0.707 0.863 1.000 0.800 CB 1.128 11 residues pruned to eliminate duplicates Z: 73 44.036 2.001 0.703 0.658 0.931 0.472 CB 1.413 73 residues pruned to eliminate duplicates Z: 15 7.841 1.806 0.157 0.399 0.786 0.571 CB 1.421 15 residues pruned to eliminate duplicates Z: 29 52.391 2.098 1.112 0.937 1.000 0.429 CB 1.555 29 residues pruned to eliminate duplicates Z: 15 20.234 1.865 0.731 0.709 0.929 0.786 CB 1.492 15 residues pruned to eliminate duplicates Z: 14 8.942 1.739 0.345 0.523 0.923 0.615 CB 1.123 15 residues pruned to eliminate duplicates Z: 16 14.346 1.731 0.367 0.877 1.000 0.533 CB 1.137 16 residues pruned to eliminate duplicates Z: 29 28.312 2.096 0.652 0.531 0.929 0.607 CB 1.614 29 residues pruned to eliminate duplicates Z: 6 10.104 1.689 0.397 0.848 1.000 1.000 CA 1.421 6 residues pruned to eliminate duplicates Z: 16 21.967 1.883 0.809 0.820 0.933 0.467 CB 1.351 16 residues pruned to eliminate duplicates Z: 14 14.214 1.655 0.627 0.823 0.846 0.769 CA 1.308 14 residues pruned to eliminate duplicates Z: 13 10.281 1.661 0.403 0.854 0.917 0.750 CB 1.026 13 residues pruned to eliminate duplicates Z: 29 30.537 1.962 0.601 0.909 0.929 0.679 CB 1.404 29 residues pruned to eliminate duplicates Z: 45 24.937 1.992 0.531 0.504 0.841 0.591 CB 1.459 45 residues pruned to eliminate duplicates Z: 17 26.142 2.024 0.881 0.804 0.938 0.500 CB 1.405 17 residues pruned to eliminate duplicates Z: 10 23.124 1.832 1.169 0.883 1.000 0.778 CB 1.403 10 residues pruned to eliminate duplicates Z: 11 9.916 1.591 0.131 0.889 1.000 0.800 O 1.255 11 residues pruned to eliminate duplicates Z: 86 44.961 2.050 0.484 0.654 0.929 0.635 CB 1.495 86 residues pruned to eliminate duplicates Z: 9 3.997 1.357 0.673 0.701 0.750 0.500 CB 0.691 Z: 46 25.482 2.153 0.510 0.366 0.844 0.511 CB 1.599 34 residues pruned to eliminate duplicates Z: 24 20.468 2.119 0.661 0.470 0.826 0.609 CA 1.513 24 residues pruned to eliminate duplicates Z: 15 19.768 1.806 0.772 0.779 0.857 0.643 CA 1.506 15 residues pruned to eliminate duplicates Z: 15 14.613 1.843 0.159 0.892 1.000 0.929 CB 1.313 15 residues pruned to eliminate duplicates Z: 14 11.372 2.049 0.325 0.611 0.769 0.692 CA 1.359 14 residues pruned to eliminate duplicates Z: 6 2.720 1.114 0.155 0.447 1.000 0.600 N 0.998 Z: 16 21.538 1.910 0.567 0.820 0.933 0.467 CA 1.509 16 residues pruned to eliminate duplicates Z: 30 20.340 1.915 0.704 0.488 0.862 0.517 CB 1.359 30 residues pruned to eliminate duplicates Z: 15 31.640 2.212 0.625 0.933 1.000 0.929 CB 1.641 15 residues pruned to eliminate duplicates Z: 10 17.693 2.010 0.447 0.824 1.000 0.889 CA 1.532 10 residues pruned to eliminate duplicates Z: 13 11.196 1.989 0.516 0.350 0.917 0.583 CB 1.377 13 residues pruned to eliminate duplicates Z: 8 5.779 1.740 0.323 0.518 1.000 0.571 CB 0.932 17 residues pruned to eliminate duplicates Z: 17 16.515 1.806 0.536 0.857 0.875 0.812 CB 1.253 17 residues pruned to eliminate duplicates Z: 6 2.298 1.301 0.795 0.238 0.800 0.200 N 0.746 Z: 43 28.311 2.055 0.658 0.583 0.929 0.429 CB 1.275 43 residues pruned to eliminate duplicates Z: 9 5.499 1.410 0.712 0.432 1.000 0.625 N 0.864 Z: 14 9.485 1.613 0.225 0.650 1.000 0.615 CB 1.157 14 residues pruned to eliminate duplicates Z: 29 30.231 1.956 0.427 0.900 0.964 0.857 CB 1.516 29 residues pruned to eliminate duplicates Z: 42 62.433 2.310 1.022 0.804 0.976 0.732 CA 1.641 42 residues pruned to eliminate duplicates Z: 14 10.526 1.737 0.526 0.688 0.923 0.769 CB 1.005 14 residues pruned to eliminate duplicates Z: 11 2.268 1.197 1.006 0.178 0.900 0.200 N 0.490 Z: 35 32.001 1.968 0.809 0.681 0.941 0.559 CB 1.388 35 residues pruned to eliminate duplicates Z: 12 23.566 2.001 0.912 0.913 0.909 0.818 CB 1.445 12 residues pruned to eliminate duplicates Z: 57 22.074 1.882 0.493 0.500 0.839 0.464 CB 1.251 57 residues pruned to eliminate duplicates Z: 6 2.566 1.456 -0.019 0.387 1.000 0.600 O 0.906 Z: 9 12.360 1.761 1.062 0.636 1.000 0.750 CB 1.059 Z: 6 6.062 1.577 0.403 0.856 1.000 1.000 CB 0.903 Z: 37 46.193 2.174 0.826 0.776 0.972 0.861 CA 1.563 37 residues pruned to eliminate duplicates Z: 17 24.304 1.862 0.653 0.888 1.000 0.625 CB 1.422 17 residues pruned to eliminate duplicates Z: 8 2.978 1.479 0.042 0.270 0.857 0.571 CB 1.106 8 residues pruned to eliminate duplicates Z: 7 3.236 1.141 0.311 0.445 1.000 0.667 CB 0.935 Z: 42 28.775 2.063 0.530 0.518 0.927 0.585 CB 1.509 42 residues pruned to eliminate duplicates Z: 10 3.080 1.516 0.429 0.301 0.667 0.444 CB 0.887 10 residues pruned to eliminate duplicates Z: 17 16.832 1.727 0.509 0.834 0.938 0.812 CB 1.291 16 residues pruned to eliminate duplicates Z: 6 4.518 1.543 0.711 0.601 0.800 0.600 CB 0.869 Z: 24 25.868 1.980 0.582 0.768 0.870 0.565 CB 1.561 24 residues pruned to eliminate duplicates Z: 10 5.547 1.810 0.335 0.489 0.889 0.778 CB 0.871 10 residues pruned to eliminate duplicates Z: 33 36.735 2.002 0.717 0.845 0.969 0.875 CA 1.450 42 residues pruned to eliminate duplicates 6 1.303 1.530 0.310 0.330 0.800 0.400 CB 0.438 ? 6 1.980 1.353 0.151 0.299 0.600 0.400 N 1.185 ? Z: 16 27.480 1.915 0.808 0.835 1.000 0.600 CB 1.535 16 residues pruned to eliminate duplicates Z: 11 4.841 1.458 0.246 0.398 0.900 0.500 CB 1.043 11 residues pruned to eliminate duplicates Z: 27 20.914 1.820 0.644 0.744 0.962 0.462 CB 1.146 27 residues pruned to eliminate duplicates Z: 14 15.238 1.960 0.637 0.719 0.923 0.692 CB 1.172 14 residues pruned to eliminate duplicates Z: 11 8.972 1.584 0.489 0.909 1.000 0.700 CB 0.854 11 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 6 2.742 1.488 0.626 0.212 0.600 0.200 O 1.185 7 1.963 1.359 0.140 0.289 0.667 0.333 CB 0.983 ? Z: 6 2.932 1.499 0.159 0.269 0.800 0.600 O 1.227 6 residues pruned to eliminate duplicates Z: 11 3.879 1.682 0.173 0.331 0.700 0.400 CB 1.069 11 residues pruned to eliminate duplicates 6 1.992 1.306 1.320 0.102 0.600 0.200 N 0.814 ? Z: 7 2.389 1.290 0.202 0.381 0.667 0.667 CB 1.072 Z: 6 4.276 1.599 0.482 0.549 0.800 0.400 CB 0.961 Z: 12 6.922 1.578 0.309 0.738 0.909 0.818 CB 0.898 12 residues pruned to eliminate duplicates Z: 18 10.955 1.626 0.211 0.713 0.882 0.647 CB 1.261 18 residues pruned to eliminate duplicates Z: 18 10.483 1.453 0.556 0.543 0.941 0.647 CB 1.146 18 residues pruned to eliminate duplicates Z: 15 7.377 1.583 0.171 0.678 0.929 0.714 CB 0.972 15 residues pruned to eliminate duplicates Z: 28 11.327 1.653 0.173 0.520 0.926 0.556 CB 1.191 28 residues pruned to eliminate duplicates Z: 14 5.244 1.541 0.153 0.625 0.769 0.385 CB 0.946 14 residues pruned to eliminate duplicates Z: 16 10.956 1.616 0.287 0.684 1.000 0.533 CB 1.149 16 residues pruned to eliminate duplicates Z: 15 11.655 1.648 0.347 0.756 0.929 0.643 CB 1.203 15 residues pruned to eliminate duplicates Z: 9 6.222 1.597 0.333 0.578 0.750 0.375 CB 1.278 9 residues pruned to eliminate duplicates Z: 19 13.620 1.620 0.411 0.708 0.944 0.778 CB 1.231 19 residues pruned to eliminate duplicates Z: 18 12.736 1.651 0.332 0.767 0.941 0.765 CB 1.178 18 residues pruned to eliminate duplicates Z: 34 17.777 1.733 0.581 0.579 0.909 0.788 CB 1.151 34 residues pruned to eliminate duplicates Z: 17 19.989 1.823 0.523 0.782 1.000 0.688 CA 1.404 17 residues pruned to eliminate duplicates Z: 15 28.440 2.007 0.714 0.889 1.000 0.786 CB 1.590 15 residues pruned to eliminate duplicates Z: 15 24.551 1.968 0.563 0.914 1.000 0.929 CB 1.509 15 residues pruned to eliminate duplicates Z: 16 23.085 1.937 0.429 0.872 1.000 0.800 CA 1.570 16 residues pruned to eliminate duplicates Z: 16 22.875 1.883 0.637 0.816 1.000 0.800 CA 1.456 16 residues pruned to eliminate duplicates Z: 14 27.078 1.970 0.677 0.939 1.000 1.000 CB 1.580 14 residues pruned to eliminate duplicates Z: 17 20.601 1.894 0.633 0.791 0.875 0.750 CB 1.474 17 residues pruned to eliminate duplicates Z: 16 23.575 1.940 0.606 0.850 0.933 0.667 CA 1.551 16 residues pruned to eliminate duplicates Z: 15 21.894 2.019 0.344 0.917 0.929 0.857 CA 1.637 15 residues pruned to eliminate duplicates Z: 18 23.951 1.845 0.732 0.799 0.941 0.647 CB 1.487 18 residues pruned to eliminate duplicates Z: 15 22.902 1.965 0.425 0.931 1.000 1.000 CB 1.527 15 residues pruned to eliminate duplicates Z: 16 26.256 1.918 0.710 0.859 1.000 0.533 CB 1.521 16 residues pruned to eliminate duplicates Z: 8 5.117 1.398 0.378 0.549 1.000 0.857 CA 0.957 8 residues pruned to eliminate duplicates Z: 9 10.214 1.850 0.206 0.856 1.000 0.625 CB 1.193 9 residues pruned to eliminate duplicates Z: 12 12.005 1.853 0.281 0.740 0.909 0.636 CB 1.352 12 residues pruned to eliminate duplicates Z: 17 11.740 1.623 0.342 0.656 0.938 0.562 CB 1.243 13 residues pruned to eliminate duplicates Z: 11 13.648 1.796 0.360 0.852 1.000 0.800 CB 1.307 11 residues pruned to eliminate duplicates Z: 11 13.385 1.868 0.545 0.844 0.900 0.900 CB 1.212 11 residues pruned to eliminate duplicates Z: 10 11.437 1.823 0.266 0.846 0.889 0.778 CB 1.380 10 residues pruned to eliminate duplicates Z: 11 16.206 1.872 0.744 0.905 0.900 0.900 CB 1.242 11 residues pruned to eliminate duplicates Z: 11 14.947 1.876 0.430 0.871 1.000 0.700 CB 1.285 11 residues pruned to eliminate duplicates Z: 13 11.765 1.761 0.563 0.759 0.833 0.833 CB 1.176 13 residues pruned to eliminate duplicates Z: 12 12.882 1.712 0.539 0.806 1.000 0.636 CB 1.129 12 residues pruned to eliminate duplicates Z: 26 22.654 1.868 0.470 0.815 0.960 0.720 CB 1.307 26 residues pruned to eliminate duplicates Z: 15 20.476 1.965 0.780 0.717 0.929 0.571 CA 1.384 13 residues pruned to eliminate duplicates Z: 21 19.302 1.836 0.395 0.922 1.000 0.800 CB 1.185 21 residues pruned to eliminate duplicates Z: 26 21.987 1.860 0.500 0.776 0.920 0.760 CB 1.344 26 residues pruned to eliminate duplicates Z: 26 22.951 1.849 0.566 0.829 0.920 0.800 CB 1.297 26 residues pruned to eliminate duplicates Z: 27 21.487 1.765 0.463 0.772 1.000 0.731 CB 1.283 27 residues pruned to eliminate duplicates Z: 40 22.522 1.776 0.540 0.699 0.923 0.615 CB 1.191 40 residues pruned to eliminate duplicates Z: 27 20.838 1.824 0.597 0.806 0.846 0.500 CB 1.270 27 residues pruned to eliminate duplicates Z: 24 22.779 1.882 0.595 0.845 0.913 0.739 CB 1.289 24 residues pruned to eliminate duplicates Z: 23 17.440 1.811 0.436 0.752 0.909 0.727 CB 1.256 23 residues pruned to eliminate duplicates Z: 30 22.870 1.868 0.634 0.749 0.897 0.448 CB 1.242 30 residues pruned to eliminate duplicates Z: 33 22.742 1.833 0.521 0.722 0.906 0.625 CB 1.302 33 residues pruned to eliminate duplicates Z: 22 23.287 1.857 0.701 0.797 0.952 0.476 CB 1.303 22 residues pruned to eliminate duplicates Z: 33 27.387 1.890 0.615 0.772 0.938 0.625 CB 1.330 33 residues pruned to eliminate duplicates Z: 35 22.025 1.825 0.610 0.693 0.912 0.559 CB 1.182 35 residues pruned to eliminate duplicates Z: 22 19.480 1.891 0.605 0.779 0.952 0.524 CB 1.149 22 residues pruned to eliminate duplicates Z: 38 24.174 1.818 0.583 0.685 0.919 0.486 CB 1.268 38 residues pruned to eliminate duplicates Z: 38 25.925 1.839 0.660 0.695 0.919 0.541 CB 1.271 38 residues pruned to eliminate duplicates Z: 27 20.600 1.833 0.586 0.735 0.923 0.462 CB 1.219 27 residues pruned to eliminate duplicates Z: 22 20.849 1.885 0.606 0.804 0.857 0.429 CB 1.345 22 residues pruned to eliminate duplicates Z: 30 22.626 1.800 0.641 0.769 0.897 0.517 CB 1.250 30 residues pruned to eliminate duplicates Z: 33 25.566 1.847 0.723 0.723 0.938 0.531 CB 1.239 33 residues pruned to eliminate duplicates Z: 35 22.607 1.851 0.564 0.656 0.882 0.471 CB 1.313 35 residues pruned to eliminate duplicates Z: 33 25.502 1.872 0.634 0.717 0.969 0.500 CB 1.250 33 residues pruned to eliminate duplicates Z: 34 26.951 1.894 0.647 0.744 0.939 0.515 CB 1.287 34 residues pruned to eliminate duplicates Z: 39 22.965 1.816 0.624 0.682 0.868 0.526 CB 1.230 39 residues pruned to eliminate duplicates Z: 35 21.712 1.778 0.530 0.714 0.912 0.412 CB 1.238 35 residues pruned to eliminate duplicates Z: 39 22.610 1.853 0.576 0.668 0.868 0.553 CB 1.238 39 residues pruned to eliminate duplicates Z: 12 6.294 1.702 0.553 0.382 0.818 0.455 CB 0.995 12 residues pruned to eliminate duplicates Z: 36 20.276 1.808 0.485 0.666 0.886 0.457 CB 1.237 36 residues pruned to eliminate duplicates Z: 42 20.462 1.790 0.602 0.589 0.927 0.463 CB 1.104 42 residues pruned to eliminate duplicates Z: 12 7.291 1.773 0.540 0.452 0.818 0.545 CB 1.033 12 residues pruned to eliminate duplicates Z: 35 19.321 1.798 0.649 0.557 0.882 0.559 CB 1.199 35 residues pruned to eliminate duplicates Z: 32 25.280 1.866 0.675 0.717 0.968 0.548 CB 1.234 32 residues pruned to eliminate duplicates Z: 32 22.748 1.875 0.608 0.745 0.871 0.581 CB 1.250 32 residues pruned to eliminate duplicates Z: 38 34.423 2.020 0.583 0.714 0.973 0.703 CB 1.498 38 residues pruned to eliminate duplicates Z: 39 31.708 1.974 0.560 0.699 0.974 0.605 CB 1.431 39 residues pruned to eliminate duplicates Z: 23 21.428 1.898 0.535 0.699 0.909 0.636 CB 1.438 23 residues pruned to eliminate duplicates Z: 42 28.900 1.958 0.571 0.684 0.902 0.659 CB 1.373 42 residues pruned to eliminate duplicates Z: 55 39.978 2.034 0.586 0.746 0.926 0.704 CB 1.461 56 residues pruned to eliminate duplicates Z: 25 30.284 1.969 0.579 0.869 0.958 0.750 CB 1.515 25 residues pruned to eliminate duplicates Z: 37 35.601 2.050 0.666 0.738 0.944 0.667 CB 1.486 37 residues pruned to eliminate duplicates Z: 27 27.691 1.917 0.597 0.796 0.962 0.692 CB 1.423 27 residues pruned to eliminate duplicates Z: 26 25.987 1.975 0.563 0.686 0.920 0.760 CA 1.543 26 residues pruned to eliminate duplicates Z: 42 31.856 1.958 0.602 0.661 0.951 0.585 CB 1.436 42 residues pruned to eliminate duplicates Z: 37 36.006 2.060 0.619 0.753 0.972 0.694 CB 1.477 37 residues pruned to eliminate duplicates Z: 40 36.777 2.013 0.779 0.667 0.949 0.590 CB 1.486 40 residues pruned to eliminate duplicates Z: 38 33.803 2.030 0.691 0.747 0.892 0.595 CB 1.456 38 residues pruned to eliminate duplicates Z: 41 32.848 1.961 0.716 0.683 0.925 0.625 CB 1.411 41 residues pruned to eliminate duplicates Z: 38 36.245 2.020 0.735 0.727 0.946 0.541 CB 1.464 38 residues pruned to eliminate duplicates Z: 38 40.158 2.041 0.767 0.741 1.000 0.703 CB 1.475 38 residues pruned to eliminate duplicates Z: 55 41.141 2.043 0.668 0.729 0.907 0.556 CB 1.473 55 residues pruned to eliminate duplicates Z: 38 33.688 2.024 0.661 0.734 0.919 0.568 CB 1.452 38 residues pruned to eliminate duplicates Z: 40 33.581 2.004 0.672 0.711 0.923 0.564 CB 1.435 40 residues pruned to eliminate duplicates Z: 36 38.450 2.063 0.758 0.745 0.943 0.600 CB 1.526 36 residues pruned to eliminate duplicates Z: 24 28.313 1.939 0.677 0.913 0.913 0.652 CB 1.407 24 residues pruned to eliminate duplicates Z: 26 16.443 1.842 0.421 0.501 0.920 0.480 CB 1.364 26 residues pruned to eliminate duplicates Z: 29 23.071 1.957 0.441 0.655 0.929 0.643 CB 1.441 29 residues pruned to eliminate duplicates Z: 36 39.239 2.070 0.741 0.765 0.971 0.629 CB 1.497 36 residues pruned to eliminate duplicates Z: 6 3.071 1.678 0.541 0.353 0.800 0.200 CB 0.778 6 residues pruned to eliminate duplicates Z: 39 34.437 1.972 0.708 0.721 0.947 0.474 CB 1.434 39 residues pruned to eliminate duplicates Z: 54 39.607 2.040 0.656 0.734 0.887 0.585 CB 1.472 54 residues pruned to eliminate duplicates Z: 40 31.689 1.999 0.630 0.698 0.897 0.513 CB 1.449 40 residues pruned to eliminate duplicates Z: 38 38.571 2.023 0.784 0.776 0.946 0.514 CB 1.455 37 residues pruned to eliminate duplicates Z: 6 5.918 1.651 0.522 0.449 1.000 0.600 CA 1.110 6 residues pruned to eliminate duplicates Z: 41 30.440 1.985 0.586 0.665 0.950 0.525 CB 1.382 41 residues pruned to eliminate duplicates Z: 68 41.403 2.048 0.598 0.643 0.940 0.582 CB 1.439 81 residues pruned to eliminate duplicates Z: 6 4.076 1.634 0.474 0.359 0.800 0.600 CA 1.101 Z: 18 27.297 2.069 0.827 0.772 0.882 0.706 CA 1.561 18 residues pruned to eliminate duplicates Z: 32 23.717 2.060 0.502 0.592 0.871 0.645 CB 1.447 32 residues pruned to eliminate duplicates Z: 27 30.546 2.105 0.639 0.682 0.923 0.692 CB 1.591 27 residues pruned to eliminate duplicates Z: 31 28.389 2.039 0.513 0.651 0.933 0.733 CB 1.564 30 residues pruned to eliminate duplicates Z: 13 22.120 2.065 0.690 0.868 0.833 0.750 CA 1.605 13 residues pruned to eliminate duplicates Z: 33 26.716 2.024 0.413 0.642 0.906 0.719 CB 1.596 33 residues pruned to eliminate duplicates Z: 32 28.764 2.100 0.600 0.609 0.935 0.613 CB 1.483 33 residues pruned to eliminate duplicates Z: 17 31.212 2.026 0.813 0.888 1.000 0.938 CA 1.530 17 residues pruned to eliminate duplicates Z: 29 26.613 2.063 0.617 0.654 0.929 0.643 CB 1.407 29 residues pruned to eliminate duplicates Z: 29 26.141 2.069 0.462 0.647 0.893 0.750 CB 1.595 29 residues pruned to eliminate duplicates Z: 18 27.694 2.054 0.812 0.711 0.882 0.588 CA 1.688 18 residues pruned to eliminate duplicates Z: 21 20.951 2.083 0.482 0.682 0.850 0.600 CB 1.511 21 residues pruned to eliminate duplicates Z: 28 29.420 2.079 0.556 0.675 0.926 0.667 CB 1.610 28 residues pruned to eliminate duplicates Z: 28 26.055 2.015 0.416 0.666 1.000 0.667 CB 1.508 28 residues pruned to eliminate duplicates Z: 27 29.260 2.093 0.562 0.697 0.923 0.731 CB 1.588 27 residues pruned to eliminate duplicates Z: 30 30.902 2.048 0.657 0.660 0.931 0.621 CB 1.566 30 residues pruned to eliminate duplicates Z: 29 29.838 2.097 0.549 0.677 0.929 0.714 CB 1.589 29 residues pruned to eliminate duplicates Z: 30 30.804 2.038 0.629 0.660 0.897 0.724 CB 1.657 30 residues pruned to eliminate duplicates Z: 27 31.555 2.113 0.580 0.722 0.962 0.692 CA 1.578 27 residues pruned to eliminate duplicates Z: 30 30.013 2.035 0.622 0.684 0.931 0.655 CB 1.532 30 residues pruned to eliminate duplicates Z: 29 31.469 2.108 0.558 0.706 0.929 0.714 CB 1.616 29 residues pruned to eliminate duplicates Z: 6 2.595 1.467 0.323 0.188 0.800 0.200 CA 1.086 6 residues pruned to eliminate duplicates Z: 12 4.926 1.858 0.287 0.320 0.818 0.455 CB 0.926 12 residues pruned to eliminate duplicates Z: 12 7.041 1.904 0.689 0.419 0.818 0.455 CB 0.878 12 residues pruned to eliminate duplicates Z: 9 6.528 1.997 0.833 0.417 0.875 0.375 CB 0.786 9 residues pruned to eliminate duplicates Z: 17 5.513 1.759 0.400 0.297 0.750 0.438 CB 0.937 17 residues pruned to eliminate duplicates Z: 14 6.286 1.759 0.435 0.349 0.769 0.385 CB 1.057 14 residues pruned to eliminate duplicates Z: 25 14.657 1.833 0.722 0.449 0.917 0.500 CB 1.090 25 residues pruned to eliminate duplicates Z: 14 9.592 1.838 0.815 0.572 1.000 0.538 CB 0.744 15 residues pruned to eliminate duplicates Z: 6 2.680 1.417 0.289 0.738 0.600 0.400 N 0.884 6 residues pruned to eliminate duplicates Z: 21 6.997 1.779 0.339 0.318 0.800 0.400 CB 1.003 21 residues pruned to eliminate duplicates Z: 47 29.431 2.003 0.553 0.544 0.935 0.543 CB 1.430 47 residues pruned to eliminate duplicates Z: 15 9.751 1.903 0.362 0.429 0.786 0.714 CB 1.378 15 residues pruned to eliminate duplicates Z: 17 10.231 1.821 0.375 0.363 0.938 0.625 CB 1.262 17 residues pruned to eliminate duplicates Z: 44 28.837 2.033 0.476 0.530 0.977 0.581 CB 1.457 44 residues pruned to eliminate duplicates Z: 19 9.254 1.861 0.207 0.316 0.889 0.500 CB 1.339 19 residues pruned to eliminate duplicates Z: 47 25.782 2.004 0.445 0.517 0.870 0.696 CB 1.484 47 residues pruned to eliminate duplicates Z: 40 24.513 2.050 0.533 0.520 0.897 0.487 CB 1.364 40 residues pruned to eliminate duplicates Z: 42 28.397 2.045 0.472 0.506 0.976 0.561 CB 1.501 42 residues pruned to eliminate duplicates Z: 16 8.850 1.759 0.187 0.399 0.867 0.667 CB 1.404 16 residues pruned to eliminate duplicates Z: 40 27.171 2.075 0.479 0.583 0.949 0.641 CB 1.380 40 residues pruned to eliminate duplicates Z: 47 23.436 2.000 0.356 0.489 0.891 0.609 CB 1.446 47 residues pruned to eliminate duplicates Z: 44 31.693 2.064 0.605 0.560 0.930 0.698 CB 1.479 44 residues pruned to eliminate duplicates Z: 6 7.242 1.854 0.236 0.518 1.000 0.200 CB 1.388 6 residues pruned to eliminate duplicates Z: 89 41.012 1.970 0.592 0.579 0.943 0.602 CB 1.370 89 residues pruned to eliminate duplicates Z: 43 23.141 1.931 0.447 0.483 0.881 0.524 CB 1.476 43 residues pruned to eliminate duplicates Z: 37 31.368 2.128 0.538 0.572 0.972 0.667 CB 1.532 37 residues pruned to eliminate duplicates Z: 42 27.372 2.081 0.554 0.509 0.878 0.585 CB 1.492 42 residues pruned to eliminate duplicates Z: 44 26.310 2.021 0.460 0.480 0.953 0.628 CB 1.455 44 residues pruned to eliminate duplicates Z: 49 39.930 2.104 0.571 0.675 0.958 0.729 CB 1.549 49 residues pruned to eliminate duplicates Z: 38 33.652 2.103 0.682 0.619 0.973 0.622 CB 1.437 38 residues pruned to eliminate duplicates Z: 38 30.720 2.101 0.582 0.589 0.946 0.595 CB 1.475 38 residues pruned to eliminate duplicates Z: 54 35.101 2.045 0.438 0.676 0.943 0.698 CB 1.478 54 residues pruned to eliminate duplicates Z: 24 25.079 2.051 0.603 0.567 0.957 0.522 CB 1.558 24 residues pruned to eliminate duplicates Z: 29 30.473 2.096 0.682 0.631 1.000 0.500 CB 1.444 29 residues pruned to eliminate duplicates Z: 67 33.896 1.968 0.562 0.582 0.894 0.621 CB 1.403 67 residues pruned to eliminate duplicates Z: 44 28.176 2.059 0.573 0.548 0.884 0.535 CB 1.433 44 residues pruned to eliminate duplicates Z: 44 29.658 2.048 0.577 0.573 0.907 0.535 CB 1.440 44 residues pruned to eliminate duplicates Z: 29 32.672 2.127 0.734 0.618 0.964 0.607 CB 1.553 29 residues pruned to eliminate duplicates Z: 27 32.765 2.123 0.789 0.628 1.000 0.462 CB 1.500 27 residues pruned to eliminate duplicates Z: 44 30.081 2.058 0.524 0.546 0.953 0.512 CB 1.467 44 residues pruned to eliminate duplicates Z: 45 24.761 1.990 0.609 0.535 0.841 0.364 CB 1.339 45 residues pruned to eliminate duplicates Z: 40 28.977 2.090 0.567 0.601 0.923 0.462 CB 1.394 40 residues pruned to eliminate duplicates Z: 28 33.261 2.143 0.759 0.646 0.963 0.630 CB 1.538 28 residues pruned to eliminate duplicates Z: 45 25.263 2.017 0.519 0.516 0.864 0.409 CB 1.416 45 residues pruned to eliminate duplicates Z: 30 31.634 2.138 0.731 0.628 0.931 0.586 CB 1.512 30 residues pruned to eliminate duplicates Z: 32 31.799 2.119 0.675 0.595 1.000 0.645 CB 1.470 32 residues pruned to eliminate duplicates Z: 32 29.915 2.073 0.729 0.576 0.935 0.355 CB 1.489 32 residues pruned to eliminate duplicates Z: 45 30.500 2.035 0.565 0.541 0.955 0.568 CB 1.453 45 residues pruned to eliminate duplicates Z: 31 29.895 2.091 0.559 0.605 0.967 0.667 CB 1.567 31 residues pruned to eliminate duplicates Z: 103 38.540 1.977 0.516 0.581 0.843 0.539 CB 1.396 102 residues pruned to eliminate duplicates Z: 24 25.667 1.953 0.693 0.817 0.913 0.739 CB 1.346 24 residues pruned to eliminate duplicates Z: 71 44.793 2.064 0.635 0.690 0.914 0.671 CB 1.458 71 residues pruned to eliminate duplicates Z: 78 38.198 1.960 0.535 0.583 0.935 0.558 CB 1.429 78 residues pruned to eliminate duplicates Z: 71 42.479 2.052 0.596 0.645 0.929 0.571 CB 1.458 71 residues pruned to eliminate duplicates Z: 69 46.426 2.067 0.628 0.700 0.941 0.515 CB 1.482 69 residues pruned to eliminate duplicates Z: 86 43.207 2.011 0.515 0.604 0.953 0.576 CB 1.462 86 residues pruned to eliminate duplicates Z: 40 28.165 1.974 0.449 0.680 0.949 0.641 CB 1.408 40 residues pruned to eliminate duplicates Z: 70 44.538 2.065 0.633 0.686 0.913 0.580 CB 1.469 70 residues pruned to eliminate duplicates Z: 39 35.206 2.030 0.571 0.748 0.947 0.658 CB 1.515 39 residues pruned to eliminate duplicates Z: 70 43.217 2.050 0.647 0.657 0.899 0.507 CB 1.483 70 residues pruned to eliminate duplicates Z: 56 42.849 2.085 0.572 0.725 0.927 0.582 CB 1.552 56 residues pruned to eliminate duplicates Z: 61 33.548 2.028 0.499 0.657 0.883 0.517 CB 1.395 61 residues pruned to eliminate duplicates Z: 39 23.983 1.918 0.509 0.672 0.868 0.500 CB 1.321 39 residues pruned to eliminate duplicates Z: 87 48.020 2.087 0.527 0.704 0.919 0.593 CB 1.469 87 residues pruned to eliminate duplicates Z: 36 27.743 1.985 0.763 0.661 0.857 0.457 CB 1.347 36 residues pruned to eliminate duplicates Z: 37 37.723 2.058 0.684 0.745 0.944 0.500 CB 1.542 37 residues pruned to eliminate duplicates Z: 36 39.410 2.050 0.787 0.744 0.971 0.429 CB 1.505 36 residues pruned to eliminate duplicates Z: 37 39.750 2.077 0.727 0.753 0.944 0.583 CB 1.561 37 residues pruned to eliminate duplicates Z: 98 53.304 2.089 0.681 0.625 0.938 0.505 CB 1.460 99 residues pruned to eliminate duplicates Z: 23 35.196 1.947 0.928 0.890 0.955 0.500 CB 1.506 23 residues pruned to eliminate duplicates Z: 37 31.310 1.963 0.802 0.668 0.889 0.556 CB 1.421 37 residues pruned to eliminate duplicates Z: 29 28.371 2.004 0.687 0.684 0.929 0.500 CB 1.443 29 residues pruned to eliminate duplicates Z: 30 27.249 2.038 0.552 0.722 0.966 0.517 CB 1.356 30 residues pruned to eliminate duplicates Z: 81 49.240 2.056 0.658 0.636 0.938 0.562 CB 1.516 81 residues pruned to eliminate duplicates Z: 70 47.523 2.061 0.787 0.648 0.913 0.551 CB 1.483 70 residues pruned to eliminate duplicates Z: 35 37.934 2.109 0.751 0.760 0.912 0.500 CB 1.533 35 residues pruned to eliminate duplicates Z: 35 37.068 2.004 0.755 0.733 1.000 0.647 CB 1.466 35 residues pruned to eliminate duplicates Z: 83 45.190 2.023 0.755 0.608 0.915 0.512 CB 1.387 83 residues pruned to eliminate duplicates Z: 58 42.315 2.113 0.609 0.723 0.895 0.649 CB 1.507 58 residues pruned to eliminate duplicates Z: 36 27.022 2.018 0.584 0.706 0.857 0.543 CB 1.382 36 residues pruned to eliminate duplicates Z: 69 41.973 2.056 0.636 0.653 0.897 0.588 CB 1.464 69 residues pruned to eliminate duplicates Z: 37 37.502 2.070 0.807 0.729 0.917 0.611 CB 1.483 37 residues pruned to eliminate duplicates Z: 71 45.354 2.079 0.674 0.652 0.871 0.557 CB 1.552 71 residues pruned to eliminate duplicates Z: 37 35.560 2.072 0.664 0.750 0.917 0.556 CB 1.501 37 residues pruned to eliminate duplicates Z: 87 45.207 2.012 0.657 0.612 0.919 0.465 CB 1.432 89 residues pruned to eliminate duplicates Z: 19 19.913 2.019 0.303 0.787 1.000 0.833 CB 1.385 19 residues pruned to eliminate duplicates Z: 30 22.053 2.052 0.475 0.608 0.828 0.690 CB 1.476 30 residues pruned to eliminate duplicates Z: 18 21.243 2.127 0.263 0.786 0.941 0.824 CB 1.584 18 residues pruned to eliminate duplicates Z: 19 18.818 2.135 0.273 0.696 0.889 0.667 CB 1.535 19 residues pruned to eliminate duplicates Z: 30 21.010 2.087 0.382 0.645 0.862 0.655 CB 1.370 30 residues pruned to eliminate duplicates Z: 18 24.642 2.197 0.468 0.776 0.941 0.765 CB 1.543 18 residues pruned to eliminate duplicates Z: 19 23.418 2.186 0.634 0.722 0.833 0.500 CB 1.517 19 residues pruned to eliminate duplicates Z: 21 25.600 2.060 0.918 0.700 0.900 0.550 CB 1.342 21 residues pruned to eliminate duplicates Z: 21 19.846 2.021 0.669 0.634 0.800 0.550 CB 1.451 21 residues pruned to eliminate duplicates Z: 18 28.081 2.149 0.767 0.771 0.882 0.529 CB 1.599 18 residues pruned to eliminate duplicates Z: 20 23.861 2.129 0.724 0.699 0.895 0.368 CB 1.390 20 residues pruned to eliminate duplicates Z: 102 51.750 2.058 0.605 0.639 0.941 0.594 CB 1.454 101 residues pruned to eliminate duplicates Z: 16 34.423 2.101 0.790 0.914 1.000 0.600 CB 1.672 15 residues pruned to eliminate duplicates Z: 16 31.474 2.089 0.847 0.939 1.000 0.467 CB 1.464 16 residues pruned to eliminate duplicates Z: 15 35.664 2.135 0.990 0.925 1.000 0.357 CB 1.575 15 residues pruned to eliminate duplicates Z: 17 24.047 2.084 0.823 0.822 0.812 0.500 CB 1.473 17 residues pruned to eliminate duplicates Z: 25 26.920 2.174 0.634 0.666 0.958 0.458 CB 1.385 37 residues pruned to eliminate duplicates Z: 17 23.784 1.944 0.345 0.872 1.000 0.875 CB 1.658 17 residues pruned to eliminate duplicates Z: 18 24.385 1.927 0.865 0.799 0.941 0.706 CA 1.345 18 residues pruned to eliminate duplicates Z: 17 20.823 1.868 0.518 0.677 0.938 0.562 CA 1.663 16 residues pruned to eliminate duplicates Z: 17 19.373 1.899 0.520 0.804 0.875 0.688 CA 1.470 17 residues pruned to eliminate duplicates Z: 27 24.414 1.948 0.523 0.632 0.923 0.654 CB 1.545 27 residues pruned to eliminate duplicates Z: 41 26.979 1.855 0.596 0.601 0.925 0.550 CB 1.416 38 residues pruned to eliminate duplicates Z: 17 18.954 1.896 0.553 0.833 0.875 0.688 CB 1.380 17 residues pruned to eliminate duplicates Z: 28 28.213 1.957 0.685 0.689 0.926 0.556 CA 1.496 28 residues pruned to eliminate duplicates Z: 25 16.694 1.892 0.479 0.478 0.833 0.500 CA 1.493 25 residues pruned to eliminate duplicates Z: 26 15.246 1.873 0.579 0.497 0.880 0.600 CB 1.175 23 residues pruned to eliminate duplicates Z: 14 19.856 1.862 0.718 0.830 0.846 0.538 CB 1.530 14 residues pruned to eliminate duplicates Z: 28 21.974 1.962 0.472 0.599 0.889 0.519 CB 1.500 28 residues pruned to eliminate duplicates Z: 28 30.551 1.946 0.767 0.676 0.926 0.519 CB 1.570 28 residues pruned to eliminate duplicates Z: 26 25.860 1.904 0.570 0.635 0.960 0.640 CA 1.587 26 residues pruned to eliminate duplicates Z: 28 23.944 1.905 0.567 0.662 0.889 0.593 CB 1.494 28 residues pruned to eliminate duplicates Z: 27 19.612 1.870 0.562 0.628 0.885 0.423 CB 1.320 27 residues pruned to eliminate duplicates Z: 30 20.736 1.922 0.580 0.530 0.931 0.552 CB 1.322 30 residues pruned to eliminate duplicates Z: 29 26.441 1.900 0.678 0.677 0.929 0.679 CB 1.433 29 residues pruned to eliminate duplicates Z: 30 27.170 1.875 0.501 0.644 1.000 0.724 CB 1.567 30 residues pruned to eliminate duplicates Z: 42 23.500 1.878 0.567 0.551 0.927 0.610 CB 1.280 42 residues pruned to eliminate duplicates Z: 6 8.603 1.651 0.812 0.613 1.000 0.800 CA 1.155 6 residues pruned to eliminate duplicates Z: 38 24.609 1.898 0.679 0.582 0.892 0.649 CB 1.316 38 residues pruned to eliminate duplicates Z: 28 28.836 1.955 0.681 0.690 0.926 0.667 CB 1.532 28 residues pruned to eliminate duplicates Z: 26 32.230 2.007 0.644 0.740 1.000 0.720 CA 1.576 26 residues pruned to eliminate duplicates Z: 27 29.020 2.010 0.769 0.678 0.846 0.654 CB 1.606 27 residues pruned to eliminate duplicates Z: 18 23.841 1.873 0.703 0.736 0.941 0.647 CB 1.558 Z: 15 22.412 1.941 0.440 0.850 1.000 0.714 CB 1.588 15 residues pruned to eliminate duplicates Z: 19 22.700 1.944 0.531 0.744 0.944 0.778 CB 1.530 19 residues pruned to eliminate duplicates Z: 19 18.526 1.922 0.482 0.671 0.889 0.667 CB 1.472 19 residues pruned to eliminate duplicates Z: 18 25.329 1.942 0.780 0.789 0.882 0.471 CB 1.563 20 residues pruned to eliminate duplicates Z: 17 22.944 1.845 0.680 0.832 0.875 0.438 CB 1.587 17 residues pruned to eliminate duplicates Z: 20 21.664 1.938 0.698 0.703 0.842 0.632 CB 1.490 20 residues pruned to eliminate duplicates Z: 18 23.299 1.974 0.562 0.796 0.882 0.588 CB 1.603 18 residues pruned to eliminate duplicates Z: 16 23.849 1.998 0.516 0.889 0.867 0.800 CA 1.689 16 residues pruned to eliminate duplicates Z: 18 24.564 2.004 0.535 0.751 0.941 0.647 CB 1.644 17 residues pruned to eliminate duplicates Z: 17 22.090 1.894 0.690 0.817 0.875 0.688 CB 1.497 17 residues pruned to eliminate duplicates Z: 18 25.417 1.984 0.732 0.730 0.941 0.647 CB 1.550 18 residues pruned to eliminate duplicates Z: 17 25.749 1.888 0.819 0.822 0.938 0.562 CB 1.512 16 residues pruned to eliminate duplicates Z: 17 22.170 1.903 0.678 0.796 0.875 0.688 CB 1.531 17 residues pruned to eliminate duplicates Z: 21 10.569 1.805 0.351 0.434 0.750 0.450 CB 1.385 21 residues pruned to eliminate duplicates Z: 19 9.643 1.788 0.384 0.428 0.833 0.444 CB 1.188 19 residues pruned to eliminate duplicates Z: 17 10.756 1.855 0.366 0.541 0.812 0.625 CB 1.255 17 residues pruned to eliminate duplicates Z: 23 9.362 1.666 0.400 0.357 0.818 0.545 CB 1.220 23 residues pruned to eliminate duplicates Z: 15 7.924 1.690 0.555 0.336 0.786 0.429 CB 1.226 15 residues pruned to eliminate duplicates Z: 14 13.977 1.818 0.710 0.551 1.000 0.615 CB 1.187 14 residues pruned to eliminate duplicates Z: 6 2.581 1.473 0.309 0.447 0.800 0.200 CB 0.790 6 residues pruned to eliminate duplicates Z: 14 10.838 1.748 0.477 0.475 0.923 0.615 CB 1.293 14 residues pruned to eliminate duplicates Z: 14 13.340 1.811 0.520 0.475 1.000 0.615 CB 1.379 14 residues pruned to eliminate duplicates Z: 14 8.806 1.907 0.326 0.486 0.769 0.692 CB 1.273 21 residues pruned to eliminate duplicates Z: 6 7.399 1.764 0.607 0.424 1.000 0.400 CB 1.263 7 residues pruned to eliminate duplicates Z: 11 10.417 2.007 0.214 0.505 0.900 0.700 CA 1.494 11 residues pruned to eliminate duplicates Z: 22 15.010 2.086 0.404 0.418 0.857 0.714 CB 1.420 21 residues pruned to eliminate duplicates Z: 8 15.417 2.063 0.314 0.871 1.000 0.857 CA 1.568 8 residues pruned to eliminate duplicates Z: 30 24.904 2.073 0.624 0.501 0.966 0.655 CB 1.421 30 residues pruned to eliminate duplicates Z: 42 16.481 1.943 0.552 0.314 0.805 0.512 CB 1.302 42 residues pruned to eliminate duplicates Z: 18 10.251 2.089 0.263 0.450 0.765 0.471 CB 1.297 18 residues pruned to eliminate duplicates Z: 30 20.858 2.067 0.572 0.498 0.862 0.517 CB 1.385 30 residues pruned to eliminate duplicates Z: 53 24.266 2.010 0.442 0.426 0.904 0.538 CB 1.387 53 residues pruned to eliminate duplicates Z: 28 15.405 2.099 0.451 0.408 0.852 0.556 CB 1.259 28 residues pruned to eliminate duplicates Z: 30 23.691 2.083 0.621 0.523 0.897 0.621 CB 1.421 30 residues pruned to eliminate duplicates Z: 28 25.480 2.115 0.751 0.516 0.926 0.630 CB 1.407 28 residues pruned to eliminate duplicates Z: 30 16.929 2.005 0.502 0.497 0.793 0.483 CB 1.320 30 residues pruned to eliminate duplicates Z: 29 19.094 2.088 0.556 0.508 0.857 0.536 CB 1.286 29 residues pruned to eliminate duplicates Z: 28 21.306 2.101 0.428 0.555 0.926 0.667 CB 1.400 28 residues pruned to eliminate duplicates Z: 28 13.927 1.927 0.600 0.339 0.815 0.481 CB 1.272 28 residues pruned to eliminate duplicates Z: 16 11.266 1.899 0.565 0.531 0.867 0.600 CB 1.095 16 residues pruned to eliminate duplicates Z: 19 14.199 1.899 0.656 0.504 0.833 0.667 CB 1.272 19 residues pruned to eliminate duplicates Z: 32 15.635 1.946 0.602 0.382 0.806 0.548 CB 1.266 32 residues pruned to eliminate duplicates Z: 25 19.868 2.135 0.727 0.495 0.792 0.458 CB 1.396 25 residues pruned to eliminate duplicates Z: 30 23.132 2.098 0.876 0.481 0.828 0.552 CB 1.344 30 residues pruned to eliminate duplicates Z: 35 19.002 2.099 0.697 0.425 0.794 0.471 CB 1.245 35 residues pruned to eliminate duplicates Z: 57 26.875 2.101 0.624 0.417 0.839 0.536 CB 1.367 57 residues pruned to eliminate duplicates Z: 33 23.127 2.116 0.719 0.469 0.812 0.562 CB 1.427 33 residues pruned to eliminate duplicates Z: 77 27.648 2.047 0.518 0.394 0.842 0.539 CB 1.356 77 residues pruned to eliminate duplicates Z: 43 27.328 2.163 0.689 0.498 0.833 0.452 CB 1.387 43 residues pruned to eliminate duplicates Z: 27 19.042 2.132 0.558 0.505 0.846 0.500 CB 1.322 27 residues pruned to eliminate duplicates Z: 51 29.636 2.157 0.640 0.481 0.880 0.560 CB 1.373 51 residues pruned to eliminate duplicates Z: 23 22.182 2.038 0.693 0.487 0.909 0.636 CB 1.527 23 residues pruned to eliminate duplicates Z: 42 22.921 2.129 0.646 0.413 0.805 0.537 CB 1.389 42 residues pruned to eliminate duplicates Z: 30 26.061 2.136 0.793 0.501 0.862 0.552 CB 1.464 30 residues pruned to eliminate duplicates Z: 48 27.754 2.113 0.698 0.455 0.830 0.553 CB 1.424 48 residues pruned to eliminate duplicates Z: 8 12.067 2.159 0.899 0.650 0.857 0.286 CB 1.129 8 residues pruned to eliminate duplicates Z: 38 26.103 2.146 0.684 0.461 0.892 0.595 CB 1.385 38 residues pruned to eliminate duplicates Z: 29 21.378 2.166 0.665 0.535 0.821 0.393 CB 1.318 29 residues pruned to eliminate duplicates Z: 34 22.524 2.093 0.696 0.482 0.818 0.455 CB 1.376 34 residues pruned to eliminate duplicates Z: 25 12.418 2.023 0.821 0.317 0.750 0.458 CB 1.122 25 residues pruned to eliminate duplicates Z: 51 30.312 2.148 0.636 0.477 0.880 0.580 CB 1.419 51 residues pruned to eliminate duplicates Z: 26 23.570 2.218 0.704 0.534 0.880 0.640 CB 1.370 26 residues pruned to eliminate duplicates Z: 10 6.126 1.567 0.951 0.444 0.667 0.444 N 1.061 10 residues pruned to eliminate duplicates Z: 13 7.538 1.969 0.371 0.417 0.667 0.583 CB 1.318 13 residues pruned to eliminate duplicates Z: 17 15.754 2.118 0.486 0.549 0.938 0.688 CB 1.272 17 residues pruned to eliminate duplicates Z: 59 28.844 2.126 0.576 0.485 0.862 0.621 CB 1.332 59 residues pruned to eliminate duplicates Z: 64 29.214 2.092 0.591 0.458 0.873 0.603 CB 1.323 64 residues pruned to eliminate duplicates Z: 11 9.059 2.046 0.419 0.369 0.800 0.500 CB 1.419 11 residues pruned to eliminate duplicates Z: 39 25.019 2.171 0.540 0.446 0.921 0.605 CB 1.393 39 residues pruned to eliminate duplicates Z: 11 9.916 1.995 0.460 0.417 0.900 0.500 CB 1.305 11 residues pruned to eliminate duplicates Z: 12 11.742 2.116 0.305 0.482 0.818 0.545 CB 1.595 13 residues pruned to eliminate duplicates Z: 6 3.694 1.545 0.704 0.100 1.000 0.600 CB 1.046 6 residues pruned to eliminate duplicates Z: 17 8.534 1.904 0.403 0.412 0.812 0.312 CB 1.078 17 residues pruned to eliminate duplicates Z: 12 9.532 2.011 0.343 0.478 0.818 0.455 CB 1.329 12 residues pruned to eliminate duplicates Z: 22 13.983 1.992 0.205 0.462 0.905 0.667 CB 1.460 21 residues pruned to eliminate duplicates Z: 8 14.745 1.864 0.524 0.822 1.000 0.714 N 1.484 8 residues pruned to eliminate duplicates Z: 21 15.904 2.052 0.348 0.405 0.900 0.650 CB 1.579 21 residues pruned to eliminate duplicates Z: 24 13.494 1.951 0.318 0.380 0.870 0.435 CB 1.429 24 residues pruned to eliminate duplicates Z: 21 15.875 2.063 0.355 0.404 0.950 0.400 CB 1.480 21 residues pruned to eliminate duplicates Z: 13 14.297 2.081 0.352 0.500 0.917 0.417 CB 1.601 13 residues pruned to eliminate duplicates Z: 17 15.466 2.061 0.429 0.443 0.938 0.562 CB 1.484 17 residues pruned to eliminate duplicates Z: 21 18.060 2.031 0.369 0.425 0.950 0.600 CB 1.652 21 residues pruned to eliminate duplicates Z: 23 16.729 2.002 0.592 0.412 0.818 0.545 CB 1.500 23 residues pruned to eliminate duplicates Z: 23 17.397 2.029 0.630 0.487 0.773 0.636 CB 1.469 23 residues pruned to eliminate duplicates Z: 19 17.467 1.990 0.631 0.410 0.944 0.444 CB 1.475 23 residues pruned to eliminate duplicates Z: 6 5.170 1.667 0.454 0.443 1.000 0.800 CA 1.012 6 residues pruned to eliminate duplicates Z: 22 12.151 1.703 0.394 0.511 0.857 0.571 CB 1.290 29 residues pruned to eliminate duplicates Z: 9 5.757 1.614 0.332 0.584 1.000 0.375 CB 0.873 9 residues pruned to eliminate duplicates Z: 13 7.300 1.779 0.374 0.330 0.833 0.500 CB 1.246 13 residues pruned to eliminate duplicates Z: 21 12.673 1.954 0.513 0.395 0.750 0.400 CB 1.427 21 residues pruned to eliminate duplicates Z: 13 7.558 1.560 0.318 0.463 0.917 0.500 CB 1.202 13 residues pruned to eliminate duplicates Z: 31 12.392 1.782 0.386 0.378 0.767 0.367 CB 1.361 31 residues pruned to eliminate duplicates Z: 33 18.762 1.870 0.441 0.484 0.875 0.438 CB 1.429 33 residues pruned to eliminate duplicates Z: 15 6.520 1.682 0.075 0.481 0.786 0.571 CB 1.250 15 residues pruned to eliminate duplicates Z: 22 11.373 1.663 0.254 0.511 0.905 0.381 CB 1.302 22 residues pruned to eliminate duplicates Z: 10 5.669 1.620 0.175 0.690 0.667 0.333 CA 1.251 10 residues pruned to eliminate duplicates Z: 9 5.306 1.660 0.059 0.696 0.625 0.500 N 1.427 9 residues pruned to eliminate duplicates Z: 31 14.051 1.837 0.349 0.450 0.800 0.467 CB 1.362 31 residues pruned to eliminate duplicates Z: 11 9.089 1.593 0.398 0.691 0.800 0.500 CA 1.354 11 residues pruned to eliminate duplicates Z: 9 8.662 1.683 0.222 0.718 0.875 0.500 N 1.397 9 residues pruned to eliminate duplicates Z: 9 11.231 1.728 0.217 0.829 1.000 0.500 N 1.421 9 residues pruned to eliminate duplicates Z: 9 12.249 1.733 0.320 0.838 1.000 0.625 N 1.414 9 residues pruned to eliminate duplicates Z: 11 12.333 1.847 0.274 0.581 1.000 0.700 CB 1.532 10 residues pruned to eliminate duplicates Z: 10 10.314 1.870 0.147 0.828 0.889 0.556 CB 1.358 10 residues pruned to eliminate duplicates Z: 15 15.524 1.892 0.295 0.722 1.000 0.643 CB 1.385 15 residues pruned to eliminate duplicates Z: 11 10.849 1.930 0.188 0.623 0.900 0.700 CB 1.480 11 residues pruned to eliminate duplicates Z: 15 12.231 1.901 0.225 0.724 0.929 0.714 CB 1.235 15 residues pruned to eliminate duplicates Z: 13 17.160 1.942 0.348 0.835 1.000 0.833 CB 1.417 13 residues pruned to eliminate duplicates Z: 15 15.008 1.885 0.375 0.772 1.000 0.786 CB 1.216 15 residues pruned to eliminate duplicates Z: 15 14.572 1.862 0.313 0.801 0.929 0.929 CB 1.318 15 residues pruned to eliminate duplicates Z: 15 12.958 1.869 0.307 0.789 0.857 0.786 CB 1.283 15 residues pruned to eliminate duplicates Z: 20 12.464 1.675 0.325 0.677 0.947 0.526 CB 1.156 20 residues pruned to eliminate duplicates Z: 15 14.615 1.898 0.430 0.798 0.929 0.571 CB 1.194 15 residues pruned to eliminate duplicates Z: 16 14.364 1.870 0.346 0.742 1.000 0.667 CB 1.187 16 residues pruned to eliminate duplicates Z: 17 13.175 1.837 0.387 0.693 1.000 0.562 CB 1.084 17 residues pruned to eliminate duplicates Z: 18 14.192 1.771 0.502 0.694 1.000 0.647 CB 1.083 18 residues pruned to eliminate duplicates Z: 18 27.139 1.966 0.588 0.835 1.000 0.647 CB 1.579 19 residues pruned to eliminate duplicates Z: 17 20.992 1.835 0.444 0.861 1.000 0.688 CA 1.455 17 residues pruned to eliminate duplicates Z: 16 18.599 1.933 0.442 0.651 1.000 0.467 CB 1.497 16 residues pruned to eliminate duplicates Z: 16 15.621 1.969 0.364 0.636 0.867 0.667 CB 1.525 16 residues pruned to eliminate duplicates Z: 22 13.426 1.831 0.481 0.472 0.857 0.524 CB 1.297 22 residues pruned to eliminate duplicates Z: 24 13.125 1.720 0.541 0.501 0.826 0.478 CB 1.248 24 residues pruned to eliminate duplicates Z: 30 20.641 1.865 0.472 0.646 0.828 0.586 CB 1.471 30 residues pruned to eliminate duplicates Z: 14 19.325 1.993 0.470 0.697 1.000 0.769 CB 1.527 14 residues pruned to eliminate duplicates Z: 20 17.798 1.880 0.504 0.597 0.895 0.579 CB 1.472 20 residues pruned to eliminate duplicates Z: 25 18.737 1.843 0.633 0.615 0.833 0.583 CB 1.368 25 residues pruned to eliminate duplicates Z: 22 22.740 1.863 0.678 0.727 1.000 0.476 CB 1.294 22 residues pruned to eliminate duplicates Z: 19 24.849 1.912 0.656 0.816 0.944 0.778 CB 1.488 20 residues pruned to eliminate duplicates Z: 16 23.859 1.873 0.702 0.884 0.933 0.600 N 1.496 14 residues pruned to eliminate duplicates Z: 11 13.259 1.771 0.753 0.708 0.900 0.400 CB 1.242 11 residues pruned to eliminate duplicates Z: 26 14.260 1.811 0.606 0.569 0.760 0.480 CB 1.207 26 residues pruned to eliminate duplicates Z: 19 20.759 1.923 0.564 0.803 1.000 0.778 CB 1.249 19 residues pruned to eliminate duplicates Z: 16 9.939 1.767 0.692 0.566 0.733 0.667 CB 1.097 16 residues pruned to eliminate duplicates Z: 28 25.841 1.910 0.591 0.730 0.926 0.630 CB 1.437 28 residues pruned to eliminate duplicates Z: 33 21.485 1.800 0.658 0.597 0.938 0.656 CB 1.237 28 residues pruned to eliminate duplicates Z: 6 5.334 1.542 0.842 0.402 1.000 0.800 CA 0.931 Z: 21 19.704 1.655 0.331 0.926 1.000 0.850 CA 1.403 21 residues pruned to eliminate duplicates Z: 18 17.702 1.632 0.486 0.811 1.000 0.824 CA 1.350 18 residues pruned to eliminate duplicates Z: 15 17.684 1.714 0.419 0.916 1.000 0.929 CB 1.372 15 residues pruned to eliminate duplicates Z: 18 18.433 1.684 0.580 0.781 1.000 0.824 CB 1.312 18 residues pruned to eliminate duplicates Z: 17 19.448 1.671 0.612 0.924 1.000 0.688 CB 1.267 17 residues pruned to eliminate duplicates Z: 19 20.776 1.730 0.626 0.916 0.944 0.667 CB 1.302 19 residues pruned to eliminate duplicates Z: 18 23.183 1.748 0.667 0.932 1.000 0.529 CB 1.347 18 residues pruned to eliminate duplicates Z: 14 14.076 1.734 0.497 0.867 0.846 0.538 N 1.301 14 residues pruned to eliminate duplicates Z: 19 19.205 1.707 0.584 0.880 0.944 0.444 CB 1.285 19 residues pruned to eliminate duplicates Z: 19 21.770 1.702 0.636 0.891 1.000 0.611 CB 1.325 19 residues pruned to eliminate duplicates Z: 18 20.480 1.732 0.731 0.915 0.882 0.706 CB 1.327 18 residues pruned to eliminate duplicates Z: 17 19.275 1.692 0.866 0.829 0.938 0.500 CB 1.225 17 residues pruned to eliminate duplicates Z: 10 9.871 1.682 0.642 0.685 0.778 0.556 CB 1.292 10 residues pruned to eliminate duplicates Z: 15 20.513 1.737 0.778 0.934 1.000 0.571 CB 1.238 15 residues pruned to eliminate duplicates Z: 12 14.971 1.599 0.617 0.823 1.000 0.545 CA 1.320 12 residues pruned to eliminate duplicates Z: 16 18.973 1.692 0.982 0.927 0.933 0.600 CB 1.097 16 residues pruned to eliminate duplicates Z: 11 13.641 1.636 0.999 0.896 0.800 0.400 CB 1.181 11 residues pruned to eliminate duplicates Z: 20 13.119 1.558 0.578 0.859 0.789 0.316 CB 1.141 20 residues pruned to eliminate duplicates Z: 14 7.673 1.790 0.597 0.501 0.769 0.154 CB 0.967 21 residues pruned to eliminate duplicates Z: 6 5.947 1.962 0.282 0.502 0.800 0.600 CB 1.319 Z: 6 8.311 1.929 0.322 0.493 1.000 0.600 CB 1.468 6 residues pruned to eliminate duplicates Z: 10 20.114 1.956 0.737 0.870 1.000 0.778 CB 1.440 10 residues pruned to eliminate duplicates Z: 52 33.652 1.928 0.485 0.771 0.922 0.804 CB 1.405 66 residues pruned to eliminate duplicates Z: 10 18.534 2.013 0.659 0.838 1.000 0.889 CB 1.382 10 residues pruned to eliminate duplicates Z: 42 38.236 2.038 0.695 0.774 0.976 0.732 CB 1.391 42 residues pruned to eliminate duplicates Z: 36 33.363 2.027 0.470 0.787 0.943 0.771 CB 1.559 36 residues pruned to eliminate duplicates Z: 19 15.413 1.844 0.618 0.695 0.889 0.667 CB 1.146 18 residues pruned to eliminate duplicates Z: 9 21.522 1.983 0.892 0.885 1.000 0.875 CB 1.465 9 residues pruned to eliminate duplicates Z: 38 35.015 2.044 0.626 0.800 0.946 0.757 CB 1.408 38 residues pruned to eliminate duplicates Z: 33 40.183 2.093 0.723 0.837 0.938 0.781 CB 1.571 33 residues pruned to eliminate duplicates Z: 46 34.865 1.963 0.732 0.726 0.956 0.689 CB 1.305 46 residues pruned to eliminate duplicates Z: 38 40.773 2.058 0.706 0.828 1.000 0.757 CB 1.439 38 residues pruned to eliminate duplicates Z: 40 34.047 2.006 0.567 0.774 0.949 0.718 CB 1.435 40 residues pruned to eliminate duplicates Z: 39 44.062 2.040 0.719 0.856 1.000 0.789 CB 1.502 39 residues pruned to eliminate duplicates Z: 36 36.864 2.047 0.777 0.796 0.971 0.600 CB 1.360 36 residues pruned to eliminate duplicates Z: 42 34.996 2.000 0.669 0.787 0.902 0.634 CB 1.410 42 residues pruned to eliminate duplicates Z: 37 35.498 2.002 0.945 0.762 0.889 0.639 CB 1.354 37 residues pruned to eliminate duplicates Z: 45 34.250 1.977 0.659 0.725 0.955 0.659 CB 1.346 45 residues pruned to eliminate duplicates Z: 29 36.139 1.991 0.693 0.806 0.929 0.714 CB 1.671 29 residues pruned to eliminate duplicates Z: 49 37.289 1.949 0.630 0.731 0.979 0.625 CB 1.406 49 residues pruned to eliminate duplicates Z: 33 33.097 2.017 0.645 0.787 0.906 0.719 CB 1.512 33 residues pruned to eliminate duplicates Z: 34 39.236 2.082 0.775 0.798 0.939 0.636 CB 1.516 34 residues pruned to eliminate duplicates Z: 52 33.445 1.926 0.620 0.710 0.902 0.549 CB 1.375 52 residues pruned to eliminate duplicates Z: 37 44.182 2.055 0.833 0.779 1.000 0.639 CB 1.529 37 residues pruned to eliminate duplicates Z: 54 29.605 1.898 0.649 0.642 0.906 0.642 CB 1.257 54 residues pruned to eliminate duplicates Z: 26 31.884 2.043 0.800 0.835 0.920 0.560 CB 1.412 26 residues pruned to eliminate duplicates Z: 35 42.393 2.099 0.881 0.811 0.941 0.735 CB 1.492 35 residues pruned to eliminate duplicates Z: 40 39.898 2.017 0.747 0.783 0.974 0.692 CB 1.450 40 residues pruned to eliminate duplicates Z: 37 41.875 2.069 0.770 0.824 1.000 0.806 CB 1.439 37 residues pruned to eliminate duplicates Z: 37 41.655 2.055 0.902 0.784 1.000 0.472 CB 1.384 37 residues pruned to eliminate duplicates Z: 41 40.392 1.996 0.836 0.829 0.925 0.650 CB 1.417 41 residues pruned to eliminate duplicates Z: 45 34.274 1.925 0.811 0.717 0.909 0.477 CB 1.339 45 residues pruned to eliminate duplicates Z: 45 36.452 1.987 0.828 0.737 0.886 0.500 CB 1.380 45 residues pruned to eliminate duplicates Z: 39 31.786 1.953 0.890 0.755 0.895 0.421 CB 1.244 39 residues pruned to eliminate duplicates Z: 38 40.409 2.018 0.967 0.831 0.919 0.486 CB 1.368 38 residues pruned to eliminate duplicates Z: 50 38.887 1.906 0.768 0.752 0.980 0.490 CB 1.344 50 residues pruned to eliminate duplicates Z: 57 30.133 1.929 0.641 0.725 0.821 0.518 CB 1.265 57 residues pruned to eliminate duplicates Z: 41 39.067 2.000 0.865 0.761 0.925 0.450 CB 1.420 41 residues pruned to eliminate duplicates Z: 42 37.849 1.911 0.755 0.831 0.951 0.561 CB 1.392 30 residues pruned to eliminate duplicates Z: 15 11.639 1.622 0.229 0.824 1.000 0.786 CB 1.179 15 residues pruned to eliminate duplicates Z: 7 6.644 1.761 0.533 0.536 1.000 0.667 CB 0.969 7 residues pruned to eliminate duplicates Z: 14 14.521 1.769 0.479 0.734 0.923 0.615 CB 1.352 14 residues pruned to eliminate duplicates Z: 7 7.970 1.777 0.227 0.866 1.000 0.833 CB 1.093 7 residues pruned to eliminate duplicates Z: 11 13.264 1.757 0.448 0.716 1.000 0.500 CB 1.356 11 residues pruned to eliminate duplicates Z: 11 14.184 1.761 0.539 0.899 1.000 0.800 CB 1.183 11 residues pruned to eliminate duplicates Z: 14 11.541 1.612 0.409 0.764 1.000 0.846 CB 1.114 14 residues pruned to eliminate duplicates Z: 13 14.193 1.717 0.501 0.787 1.000 0.583 CB 1.235 13 residues pruned to eliminate duplicates Z: 11 15.587 1.717 0.690 0.803 0.900 0.500 CB 1.449 11 residues pruned to eliminate duplicates Z: 13 12.332 1.715 0.471 0.743 0.917 0.583 CB 1.238 13 residues pruned to eliminate duplicates Z: 51 35.868 1.940 0.769 0.760 0.860 0.600 CB 1.364 51 residues pruned to eliminate duplicates Z: 16 10.504 1.647 0.468 0.728 0.867 0.467 CB 1.054 16 residues pruned to eliminate duplicates Z: 22 29.731 2.051 0.719 0.679 1.000 0.857 CA 1.561 22 residues pruned to eliminate duplicates Z: 27 28.345 2.067 0.578 0.695 0.923 0.808 CB 1.546 27 residues pruned to eliminate duplicates Z: 28 28.280 2.054 0.588 0.696 0.926 0.667 CB 1.507 28 residues pruned to eliminate duplicates Z: 50 31.805 1.930 0.642 0.613 0.898 0.571 CB 1.435 49 residues pruned to eliminate duplicates Z: 18 26.808 1.960 0.634 0.905 1.000 0.706 CA 1.445 18 residues pruned to eliminate duplicates Z: 26 31.040 2.071 0.614 0.692 1.000 0.840 CB 1.558 26 residues pruned to eliminate duplicates Z: 47 30.720 1.992 0.514 0.629 0.935 0.717 CB 1.423 47 residues pruned to eliminate duplicates Z: 32 21.708 1.957 0.691 0.524 0.839 0.645 CB 1.372 32 residues pruned to eliminate duplicates Z: 32 22.106 1.982 0.568 0.567 0.935 0.645 CB 1.280 32 residues pruned to eliminate duplicates Z: 27 28.688 2.065 0.587 0.647 0.962 0.692 CA 1.556 27 residues pruned to eliminate duplicates Z: 27 28.146 2.036 0.617 0.651 0.962 0.692 CB 1.515 27 residues pruned to eliminate duplicates Z: 28 29.652 2.047 0.647 0.657 0.963 0.704 CB 1.520 28 residues pruned to eliminate duplicates Z: 20 25.035 1.979 0.706 0.700 0.947 0.684 CA 1.497 20 residues pruned to eliminate duplicates Z: 52 28.342 1.922 0.590 0.573 0.863 0.627 CB 1.403 52 residues pruned to eliminate duplicates Z: 32 27.611 1.970 0.707 0.593 0.935 0.645 CB 1.442 32 residues pruned to eliminate duplicates Z: 41 30.926 2.018 0.598 0.652 0.875 0.675 CB 1.505 41 residues pruned to eliminate duplicates Z: 28 32.870 2.047 0.714 0.705 1.000 0.778 CB 1.497 26 residues pruned to eliminate duplicates Z: 6 4.605 1.673 1.130 0.433 0.600 0.400 CB 1.032 6 residues pruned to eliminate duplicates Z: 46 31.501 1.993 0.583 0.631 0.911 0.667 CB 1.444 46 residues pruned to eliminate duplicates Z: 24 20.512 1.984 0.674 0.547 0.870 0.435 CB 1.415 25 residues pruned to eliminate duplicates Z: 12 10.637 1.890 0.268 0.805 0.818 0.455 CB 1.254 12 residues pruned to eliminate duplicates Z: 25 13.616 1.865 0.495 0.533 0.833 0.500 CB 1.158 23 residues pruned to eliminate duplicates Z: 11 15.438 1.934 0.364 0.817 0.900 0.800 CB 1.561 11 residues pruned to eliminate duplicates Z: 25 17.162 1.848 0.389 0.542 0.875 0.500 CB 1.497 25 residues pruned to eliminate duplicates Z: 19 16.291 1.900 0.582 0.561 0.889 0.611 CB 1.354 19 residues pruned to eliminate duplicates Z: 16 17.957 1.950 0.623 0.663 0.867 0.600 CB 1.454 16 residues pruned to eliminate duplicates Z: 23 23.690 1.898 0.722 0.631 0.909 0.591 CB 1.503 24 residues pruned to eliminate duplicates Z: 10 19.115 2.155 0.517 0.845 0.889 0.667 CA 1.631 10 residues pruned to eliminate duplicates Z: 23 19.971 1.956 0.589 0.548 0.864 0.545 CB 1.513 23 residues pruned to eliminate duplicates Z: 26 19.137 1.870 0.594 0.562 0.840 0.560 CB 1.439 26 residues pruned to eliminate duplicates Z: 35 23.300 1.892 0.687 0.613 0.882 0.559 CB 1.275 35 residues pruned to eliminate duplicates Z: 24 19.872 1.918 0.612 0.589 0.870 0.565 CB 1.415 24 residues pruned to eliminate duplicates Z: 25 18.910 1.884 0.566 0.576 0.917 0.625 CB 1.327 25 residues pruned to eliminate duplicates Z: 10 6.366 1.692 0.427 0.470 0.778 0.444 CB 1.164 10 residues pruned to eliminate duplicates Z: 23 12.796 1.796 0.482 0.440 0.818 0.455 CB 1.334 23 residues pruned to eliminate duplicates Z: 9 6.339 1.701 0.261 0.501 0.875 0.500 CB 1.193 9 residues pruned to eliminate duplicates Z: 23 21.924 1.948 0.770 0.593 0.909 0.545 CB 1.364 24 residues pruned to eliminate duplicates Z: 16 20.812 2.234 0.524 0.753 0.933 0.600 CB 1.350 16 residues pruned to eliminate duplicates Z: 58 64.126 2.290 0.883 0.785 0.930 0.702 CB 1.649 58 residues pruned to eliminate duplicates Z: 59 61.552 2.257 0.862 0.770 0.948 0.690 CB 1.597 59 residues pruned to eliminate duplicates Z: 59 58.052 2.286 0.774 0.785 0.931 0.707 CB 1.571 59 residues pruned to eliminate duplicates Z: 94 60.319 2.206 0.727 0.658 0.914 0.591 CB 1.552 94 residues pruned to eliminate duplicates Z: 47 53.380 2.278 0.791 0.760 0.957 0.739 CA 1.602 47 residues pruned to eliminate duplicates Z: 46 52.680 2.260 0.702 0.775 0.978 0.800 CB 1.638 46 residues pruned to eliminate duplicates Z: 38 53.171 2.348 0.891 0.771 0.973 0.676 CB 1.592 38 residues pruned to eliminate duplicates Z: 48 57.072 2.259 0.833 0.739 0.957 0.723 CB 1.695 48 residues pruned to eliminate duplicates Z: 46 62.725 2.324 0.862 0.793 0.978 0.778 CB 1.710 46 residues pruned to eliminate duplicates Z: 46 52.818 2.285 0.726 0.779 0.933 0.756 CA 1.672 46 residues pruned to eliminate duplicates Z: 59 52.055 2.145 0.873 0.681 0.914 0.724 CB 1.576 59 residues pruned to eliminate duplicates Z: 49 55.567 2.289 0.871 0.740 0.938 0.771 CB 1.611 49 residues pruned to eliminate duplicates Z: 43 57.667 2.361 0.698 0.833 0.976 0.810 CA 1.705 43 residues pruned to eliminate duplicates Z: 58 56.724 2.278 0.780 0.793 0.912 0.719 CB 1.571 58 residues pruned to eliminate duplicates Z: 105 63.318 2.246 0.793 0.605 0.904 0.625 CB 1.544 62 residues pruned to eliminate duplicates Z: 31 45.456 2.241 0.663 0.919 0.967 0.933 CA 1.623 31 residues pruned to eliminate duplicates Z: 85 58.026 2.179 0.832 0.606 0.964 0.607 CB 1.486 85 residues pruned to eliminate duplicates Z: 48 58.124 2.267 0.839 0.797 0.957 0.809 CB 1.637 48 residues pruned to eliminate duplicates Z: 64 61.204 2.232 0.830 0.781 0.921 0.762 CB 1.601 64 residues pruned to eliminate duplicates Z: 63 60.137 2.242 0.797 0.775 0.968 0.694 CB 1.536 63 residues pruned to eliminate duplicates Z: 116 65.864 2.227 0.799 0.621 0.913 0.583 CB 1.498 105 residues pruned to eliminate duplicates Z: 31 48.935 2.239 0.703 0.923 1.000 0.800 CA 1.646 31 residues pruned to eliminate duplicates Z: 46 52.901 2.226 0.789 0.800 0.978 0.800 CB 1.558 46 residues pruned to eliminate duplicates Z: 49 60.572 2.269 0.941 0.746 0.958 0.750 CB 1.662 49 residues pruned to eliminate duplicates Z: 68 58.637 2.204 0.852 0.721 0.940 0.701 CB 1.528 68 residues pruned to eliminate duplicates Z: 63 59.953 2.244 0.955 0.740 0.887 0.742 CB 1.578 63 residues pruned to eliminate duplicates Z: 104 62.947 2.246 0.792 0.583 0.922 0.612 CB 1.542 104 residues pruned to eliminate duplicates Z: 58 65.396 2.272 0.975 0.790 0.930 0.789 CB 1.609 58 residues pruned to eliminate duplicates Z: 44 66.787 2.285 1.115 0.802 0.977 0.581 CA 1.657 44 residues pruned to eliminate duplicates Z: 69 64.113 2.243 0.934 0.740 0.941 0.588 CB 1.536 56 residues pruned to eliminate duplicates Z: 31 58.687 2.275 0.922 0.944 1.000 0.800 CB 1.697 31 residues pruned to eliminate duplicates Z: 51 64.552 2.270 1.123 0.773 0.940 0.680 CB 1.582 51 residues pruned to eliminate duplicates Z: 49 59.394 2.264 1.096 0.766 0.917 0.708 CB 1.556 49 residues pruned to eliminate duplicates Z: 59 68.242 2.270 1.095 0.775 0.948 0.655 CB 1.558 59 residues pruned to eliminate duplicates Z: 60 65.728 2.258 1.058 0.778 0.966 0.678 CB 1.492 60 residues pruned to eliminate duplicates Z: 64 62.432 2.205 1.047 0.733 0.952 0.524 CB 1.484 64 residues pruned to eliminate duplicates Z: 62 68.965 2.260 1.094 0.747 0.967 0.525 CB 1.547 62 residues pruned to eliminate duplicates Z: 61 68.880 2.288 1.003 0.801 0.967 0.633 CB 1.543 61 residues pruned to eliminate duplicates Z: 46 64.488 2.309 1.171 0.797 0.978 0.378 CB 1.512 46 residues pruned to eliminate duplicates Z: 64 53.305 2.192 0.925 0.696 0.921 0.444 CB 1.446 64 residues pruned to eliminate duplicates Z: 59 61.680 2.283 0.915 0.778 0.948 0.569 CB 1.529 59 residues pruned to eliminate duplicates Z: 59 60.738 2.270 1.020 0.775 0.931 0.603 CB 1.464 59 residues pruned to eliminate duplicates Z: 30 36.072 2.111 0.754 0.768 0.931 0.621 CB 1.533 30 residues pruned to eliminate duplicates Z: 30 37.173 2.094 0.871 0.799 0.862 0.690 CB 1.573 30 residues pruned to eliminate duplicates Z: 68 59.708 2.193 1.128 0.720 0.910 0.478 CB 1.408 68 residues pruned to eliminate duplicates Z: 59 64.427 2.286 1.067 0.783 0.948 0.500 CB 1.472 59 residues pruned to eliminate duplicates Z: 85 44.158 2.170 0.694 0.552 0.845 0.512 CB 1.474 85 residues pruned to eliminate duplicates Z: 24 28.607 2.108 0.815 0.631 0.957 0.696 CB 1.441 24 residues pruned to eliminate duplicates Z: 16 22.464 2.029 0.914 0.679 0.867 0.667 CB 1.461 16 residues pruned to eliminate duplicates Z: 16 21.125 2.088 0.868 0.661 0.867 0.533 CB 1.390 16 residues pruned to eliminate duplicates Z: 13 26.173 2.119 0.942 0.739 1.000 0.417 CB 1.481 13 residues pruned to eliminate duplicates Z: 27 31.528 2.071 0.647 0.741 0.923 0.577 CB 1.582 27 residues pruned to eliminate duplicates Z: 44 34.776 2.134 0.735 0.594 0.884 0.488 CB 1.482 29 residues pruned to eliminate duplicates Z: 14 25.147 2.116 0.846 0.762 1.000 0.769 CB 1.415 14 residues pruned to eliminate duplicates Z: 65 39.079 2.203 0.792 0.483 0.875 0.484 CB 1.439 40 residues pruned to eliminate duplicates Z: 13 16.073 1.856 0.850 0.588 0.917 0.417 CA 1.356 13 residues pruned to eliminate duplicates Z: 40 35.576 2.180 0.783 0.617 0.872 0.487 CB 1.505 40 residues pruned to eliminate duplicates Z: 15 18.172 2.048 0.804 0.682 0.786 0.571 CB 1.415 15 residues pruned to eliminate duplicates Z: 10 22.772 2.162 0.910 0.837 0.889 0.333 CB 1.547 10 residues pruned to eliminate duplicates Z: 64 30.410 2.156 0.593 0.459 0.857 0.444 CB 1.356 56 residues pruned to eliminate duplicates Z: 12 21.527 1.958 0.812 0.899 0.909 0.273 CB 1.439 Z: 11 26.632 1.930 1.130 0.857 0.900 0.500 CB 1.678 23 residues pruned to eliminate duplicates Z: 61 32.146 2.207 0.631 0.482 0.833 0.467 CB 1.409 61 residues pruned to eliminate duplicates Z: 11 29.911 2.032 1.049 0.888 1.000 0.400 CB 1.637 11 residues pruned to eliminate duplicates Z: 36 29.833 2.190 0.777 0.584 0.857 0.314 CB 1.395 36 residues pruned to eliminate duplicates Z: 45 31.257 2.239 0.623 0.537 0.864 0.500 CB 1.447 45 residues pruned to eliminate duplicates Z: 55 31.632 2.195 0.570 0.490 0.889 0.463 CB 1.420 55 residues pruned to eliminate duplicates Z: 50 27.153 2.205 0.588 0.432 0.837 0.449 CB 1.421 50 residues pruned to eliminate duplicates Z: 53 27.114 2.163 0.463 0.439 0.827 0.385 CB 1.529 53 residues pruned to eliminate duplicates Z: 64 28.000 2.143 0.543 0.403 0.841 0.365 CB 1.406 64 residues pruned to eliminate duplicates Z: 43 28.212 2.264 0.561 0.448 0.881 0.500 CB 1.476 43 residues pruned to eliminate duplicates Z: 107 56.594 2.197 0.650 0.568 0.925 0.594 CB 1.536 107 residues pruned to eliminate duplicates Z: 51 25.152 2.206 0.597 0.374 0.800 0.480 CB 1.445 51 residues pruned to eliminate duplicates Z: 119 63.884 2.206 0.711 0.615 0.932 0.585 CB 1.499 119 residues pruned to eliminate duplicates Z: 48 24.951 2.115 0.547 0.445 0.766 0.489 CB 1.537 48 residues pruned to eliminate duplicates Z: 48 27.279 2.110 0.657 0.506 0.830 0.426 CB 1.363 48 residues pruned to eliminate duplicates Z: 35 29.623 2.181 0.612 0.596 0.853 0.529 CB 1.545 35 residues pruned to eliminate duplicates Z: 32 34.790 2.197 0.871 0.583 0.903 0.548 CB 1.553 32 residues pruned to eliminate duplicates Z: 97 52.502 2.251 0.634 0.571 0.906 0.635 CB 1.500 95 residues pruned to eliminate duplicates Z: 11 27.135 2.239 0.627 0.864 1.000 0.500 CB 1.727 11 residues pruned to eliminate duplicates Z: 63 33.479 2.190 0.628 0.481 0.871 0.452 CB 1.396 63 residues pruned to eliminate duplicates Z: 113 57.904 2.224 0.663 0.578 0.911 0.625 CB 1.507 52 residues pruned to eliminate duplicates Z: 6 10.431 2.110 0.916 0.334 0.800 0.400 CA 1.729 6 residues pruned to eliminate duplicates Z: 51 31.780 2.205 0.709 0.417 0.880 0.400 CB 1.478 51 residues pruned to eliminate duplicates Z: 109 66.505 2.247 0.818 0.618 0.907 0.602 CB 1.543 109 residues pruned to eliminate duplicates Z: 37 20.595 2.124 0.685 0.306 0.861 0.361 CB 1.381 37 residues pruned to eliminate duplicates Z: 51 27.565 2.153 0.631 0.410 0.800 0.480 CB 1.525 51 residues pruned to eliminate duplicates Z: 56 28.975 2.128 0.660 0.410 0.891 0.473 CB 1.364 56 residues pruned to eliminate duplicates Z: 65 36.812 2.143 0.785 0.474 0.859 0.422 CB 1.437 65 residues pruned to eliminate duplicates Z: 61 35.129 2.081 0.814 0.449 0.883 0.550 CB 1.432 61 residues pruned to eliminate duplicates Z: 20 13.573 2.177 0.462 0.337 0.789 0.526 CB 1.481 20 residues pruned to eliminate duplicates Z: 25 17.131 2.184 0.451 0.314 0.917 0.500 CB 1.479 25 residues pruned to eliminate duplicates Z: 52 31.556 2.209 0.688 0.509 0.804 0.373 CB 1.461 52 residues pruned to eliminate duplicates Z: 85 58.961 2.252 0.816 0.633 0.940 0.655 CB 1.477 89 residues pruned to eliminate duplicates Z: 13 14.083 1.865 0.756 0.578 1.000 0.500 CA 1.152 13 residues pruned to eliminate duplicates Z: 20 13.968 2.241 0.329 0.285 0.895 0.368 CB 1.533 20 residues pruned to eliminate duplicates Z: 115 55.994 2.176 0.682 0.554 0.912 0.632 CB 1.489 115 residues pruned to eliminate duplicates Z: 53 28.043 2.139 0.543 0.435 0.865 0.481 CB 1.456 53 residues pruned to eliminate duplicates Z: 43 27.980 2.252 0.603 0.447 0.857 0.595 CB 1.475 43 residues pruned to eliminate duplicates Z: 64 34.361 2.178 0.620 0.465 0.905 0.476 CB 1.405 64 residues pruned to eliminate duplicates Z: 53 31.655 2.228 0.687 0.430 0.885 0.558 CB 1.419 53 residues pruned to eliminate duplicates Z: 46 28.048 2.187 0.684 0.428 0.867 0.489 CB 1.412 46 residues pruned to eliminate duplicates Z: 64 38.703 2.194 0.647 0.492 0.921 0.571 CB 1.477 64 residues pruned to eliminate duplicates Z: 61 34.452 2.175 0.698 0.445 0.883 0.483 CB 1.442 61 residues pruned to eliminate duplicates Z: 119 67.128 2.240 0.721 0.609 0.932 0.585 CB 1.551 119 residues pruned to eliminate duplicates Z: 58 34.094 2.189 0.666 0.438 0.912 0.456 CB 1.446 58 residues pruned to eliminate duplicates Z: 29 20.828 2.134 0.663 0.356 0.929 0.536 CB 1.395 29 residues pruned to eliminate duplicates Z: 21 11.858 2.027 0.580 0.269 0.850 0.500 CB 1.266 21 residues pruned to eliminate duplicates Z: 62 41.193 2.207 0.771 0.512 0.934 0.590 CB 1.427 62 residues pruned to eliminate duplicates Z: 51 36.168 2.218 0.772 0.448 0.920 0.560 CB 1.491 51 residues pruned to eliminate duplicates Z: 57 34.409 2.169 0.730 0.429 0.893 0.625 CB 1.478 57 residues pruned to eliminate duplicates Z: 115 65.449 2.254 0.718 0.602 0.930 0.649 CB 1.545 115 residues pruned to eliminate duplicates Z: 8 6.090 1.586 0.646 0.484 0.857 0.143 CB 1.046 Z: 6 7.241 1.812 0.296 0.775 1.000 0.800 CB 1.081 5 residues pruned to eliminate duplicates Z: 6 5.191 1.853 0.268 0.718 1.000 0.600 CB 0.811 6 residues pruned to eliminate duplicates Z: 9 7.664 1.998 0.633 0.488 1.000 0.500 CB 0.841 9 residues pruned to eliminate duplicates Z: 74 30.893 2.014 0.561 0.517 0.890 0.575 CB 1.270 74 residues pruned to eliminate duplicates Z: 71 30.483 1.988 0.559 0.530 0.900 0.529 CB 1.268 71 residues pruned to eliminate duplicates Z: 19 14.942 2.033 0.604 0.549 0.944 0.500 CB 1.090 18 residues pruned to eliminate duplicates Z: 12 11.536 1.788 0.479 0.647 1.000 0.727 CB 1.147 12 residues pruned to eliminate duplicates Z: 66 34.021 2.052 0.648 0.532 0.938 0.615 CB 1.289 66 residues pruned to eliminate duplicates Z: 24 14.283 1.948 0.492 0.508 0.913 0.522 CB 1.114 24 residues pruned to eliminate duplicates Z: 74 31.069 2.022 0.549 0.506 0.904 0.466 CB 1.277 74 residues pruned to eliminate duplicates Z: 69 30.949 2.005 0.569 0.497 0.897 0.588 CB 1.334 69 residues pruned to eliminate duplicates Z: 54 36.031 2.057 0.697 0.560 0.925 0.642 CB 1.447 54 residues pruned to eliminate duplicates Z: 58 28.505 2.018 0.636 0.566 0.895 0.509 CB 1.199 58 residues pruned to eliminate duplicates Z: 65 33.286 2.024 0.688 0.521 0.906 0.547 CB 1.316 65 residues pruned to eliminate duplicates Z: 101 40.285 2.035 0.677 0.499 0.920 0.530 CB 1.284 101 residues pruned to eliminate duplicates Z: 52 24.579 1.940 0.720 0.530 0.824 0.569 CB 1.216 52 residues pruned to eliminate duplicates Z: 74 31.171 2.032 0.597 0.494 0.904 0.493 CB 1.251 74 residues pruned to eliminate duplicates Z: 45 14.688 1.940 0.448 0.412 0.841 0.455 CB 1.029 45 residues pruned to eliminate duplicates Z: 27 12.264 1.970 0.258 0.508 0.923 0.615 CB 1.043 27 residues pruned to eliminate duplicates Z: 50 23.880 2.030 0.443 0.511 0.898 0.510 CB 1.283 50 residues pruned to eliminate duplicates Z: 26 18.575 2.007 0.590 0.493 0.960 0.480 CB 1.221 26 residues pruned to eliminate duplicates Z: 65 32.986 2.057 0.584 0.515 0.938 0.562 CB 1.329 65 residues pruned to eliminate duplicates Z: 36 21.487 2.008 0.590 0.505 0.971 0.600 CB 1.165 36 residues pruned to eliminate duplicates Z: 73 33.694 2.028 0.657 0.525 0.944 0.583 CB 1.221 73 residues pruned to eliminate duplicates Z: 71 30.883 2.026 0.555 0.536 0.914 0.671 CB 1.236 71 residues pruned to eliminate duplicates Z: 50 37.098 2.095 0.761 0.544 1.000 0.592 CB 1.376 50 residues pruned to eliminate duplicates Z: 72 29.281 2.000 0.568 0.499 0.901 0.620 CB 1.230 72 residues pruned to eliminate duplicates Z: 53 30.092 2.024 0.718 0.495 0.885 0.538 CB 1.363 53 residues pruned to eliminate duplicates Z: 65 30.745 2.048 0.564 0.486 0.953 0.562 CB 1.276 65 residues pruned to eliminate duplicates Z: 68 26.727 2.013 0.565 0.481 0.851 0.567 CB 1.242 68 residues pruned to eliminate duplicates Z: 66 31.145 2.024 0.733 0.502 0.862 0.538 CB 1.276 66 residues pruned to eliminate duplicates Z: 47 27.962 2.026 0.572 0.562 0.913 0.630 CB 1.335 47 residues pruned to eliminate duplicates Z: 66 34.140 2.041 0.615 0.541 0.923 0.662 CB 1.337 66 residues pruned to eliminate duplicates Z: 71 32.146 2.042 0.577 0.516 0.929 0.657 CB 1.265 71 residues pruned to eliminate duplicates Z: 71 32.183 2.033 0.588 0.513 0.914 0.671 CB 1.286 71 residues pruned to eliminate duplicates Z: 65 29.573 2.038 0.512 0.469 0.938 0.516 CB 1.320 65 residues pruned to eliminate duplicates Z: 44 28.682 2.086 0.613 0.542 0.930 0.558 CB 1.342 44 residues pruned to eliminate duplicates Z: 51 33.852 2.078 0.654 0.544 0.940 0.620 CB 1.418 51 residues pruned to eliminate duplicates Z: 74 30.771 2.014 0.548 0.486 0.932 0.589 CB 1.257 74 residues pruned to eliminate duplicates Z: 38 27.026 2.051 0.783 0.501 0.865 0.622 CB 1.404 38 residues pruned to eliminate duplicates Z: 68 33.491 2.038 0.607 0.512 0.925 0.612 CB 1.334 68 residues pruned to eliminate duplicates Z: 30 33.990 2.118 0.870 0.566 1.000 0.690 CB 1.495 30 residues pruned to eliminate duplicates Z: 64 35.798 2.058 0.647 0.526 0.952 0.635 CB 1.362 64 residues pruned to eliminate duplicates Z: 21 27.196 2.060 0.914 0.684 0.950 0.900 CB 1.371 21 residues pruned to eliminate duplicates Z: 30 31.199 2.069 0.793 0.576 1.000 0.586 CB 1.452 30 residues pruned to eliminate duplicates Z: 46 29.001 2.080 0.713 0.508 0.889 0.556 CB 1.354 46 residues pruned to eliminate duplicates Z: 31 31.176 2.067 0.774 0.560 0.967 0.567 CB 1.514 31 residues pruned to eliminate duplicates Z: 56 31.739 2.021 0.675 0.508 0.927 0.582 CB 1.352 56 residues pruned to eliminate duplicates Z: 70 27.931 1.982 0.594 0.488 0.884 0.551 CB 1.218 70 residues pruned to eliminate duplicates Z: 72 30.861 2.032 0.658 0.479 0.915 0.465 CB 1.212 72 residues pruned to eliminate duplicates Z: 90 36.100 2.014 0.624 0.483 0.910 0.539 CB 1.308 97 residues pruned to eliminate duplicates Z: 16 20.907 1.966 0.816 0.687 1.000 0.400 CB 1.274 16 residues pruned to eliminate duplicates Z: 47 31.589 2.053 0.739 0.540 0.891 0.565 CB 1.407 47 residues pruned to eliminate duplicates Z: 80 27.600 1.960 0.627 0.435 0.873 0.430 CB 1.192 80 residues pruned to eliminate duplicates Z: 48 29.822 2.066 0.716 0.506 0.872 0.468 CB 1.399 48 residues pruned to eliminate duplicates Z: 21 22.988 2.082 0.814 0.565 0.900 0.350 CB 1.420 21 residues pruned to eliminate duplicates Z: 65 32.760 2.058 0.623 0.516 0.938 0.500 CB 1.287 65 residues pruned to eliminate duplicates Z: 53 32.413 2.060 0.657 0.545 0.923 0.538 CB 1.365 53 residues pruned to eliminate duplicates Z: 64 35.609 2.059 0.641 0.542 0.937 0.540 CB 1.360 64 residues pruned to eliminate duplicates Z: 36 25.599 1.949 0.807 0.536 0.914 0.371 CB 1.297 36 residues pruned to eliminate duplicates Z: 64 35.721 2.060 0.699 0.544 0.952 0.540 CB 1.294 64 residues pruned to eliminate duplicates Z: 63 37.694 2.199 0.698 0.476 0.871 0.565 CB 1.508 154 residues pruned to eliminate duplicates Z: 11 18.193 1.962 0.906 0.643 1.000 0.600 CA 1.346 Z: 13 18.098 1.858 0.942 0.806 0.833 0.500 CA 1.331 11 residues pruned to eliminate duplicates Z: 10 15.176 1.982 0.876 0.838 0.778 0.444 CB 1.308 10 residues pruned to eliminate duplicates Z: 104 66.102 2.231 0.885 0.591 0.883 0.553 CB 1.606 117 residues pruned to eliminate duplicates Z: 35 31.043 2.113 0.685 0.567 0.941 0.559 CB 1.488 Z: 7 11.733 1.855 0.997 0.564 1.000 0.500 N 1.216 7 residues pruned to eliminate duplicates Z: 99 70.530 2.284 0.887 0.594 0.918 0.622 CB 1.646 134 residues pruned to eliminate duplicates Z: 101 73.494 2.276 0.838 0.616 0.950 0.680 CB 1.657 101 residues pruned to eliminate duplicates Z: 103 68.202 2.230 0.830 0.598 0.951 0.676 CB 1.585 103 residues pruned to eliminate duplicates Z: 35 31.345 2.161 0.653 0.551 0.912 0.618 CB 1.570 Z: 6 9.106 1.594 1.164 0.399 1.000 0.200 CA 1.313 6 residues pruned to eliminate duplicates Z: 103 74.189 2.268 0.867 0.610 0.931 0.627 CB 1.678 138 residues pruned to eliminate duplicates Z: 29 29.980 2.052 0.806 0.593 0.964 0.393 CB 1.451 Z: 12 26.098 2.247 0.557 0.764 1.000 0.818 CA 1.779 13 residues pruned to eliminate duplicates Z: 14 24.254 1.983 0.769 0.794 1.000 0.615 CA 1.483 13 residues pruned to eliminate duplicates Z: 12 25.354 2.122 0.703 0.884 1.000 0.636 CA 1.529 12 residues pruned to eliminate duplicates Z: 106 70.372 2.234 0.876 0.605 0.933 0.638 CB 1.588 135 residues pruned to eliminate duplicates Z: 111 71.617 2.249 0.842 0.606 0.918 0.636 CB 1.623 111 residues pruned to eliminate duplicates Z: 56 36.755 2.224 0.677 0.417 0.909 0.455 CB 1.594 56 residues pruned to eliminate duplicates Z: 55 42.568 2.250 0.813 0.435 0.944 0.593 CB 1.609 55 residues pruned to eliminate duplicates Z: 103 72.617 2.278 0.857 0.592 0.941 0.647 CB 1.653 103 residues pruned to eliminate duplicates Z: 96 70.384 2.272 0.874 0.584 0.947 0.716 CB 1.652 96 residues pruned to eliminate duplicates Z: 97 69.972 2.282 0.855 0.595 0.948 0.708 CB 1.626 97 residues pruned to eliminate duplicates Z: 45 37.599 2.175 0.785 0.519 0.909 0.500 CB 1.576 Z: 6 2.658 1.588 0.687 0.344 0.800 0.800 CB 0.657 6 residues pruned to eliminate duplicates Z: 101 69.237 2.270 0.752 0.615 0.960 0.710 CA 1.627 146 residues pruned to eliminate duplicates Z: 89 73.880 2.338 0.863 0.606 0.955 0.693 CA 1.713 89 residues pruned to eliminate duplicates Z: 55 33.526 2.235 0.716 0.396 0.870 0.500 CB 1.525 55 residues pruned to eliminate duplicates Z: 103 69.443 2.278 0.801 0.607 0.941 0.647 CB 1.608 103 residues pruned to eliminate duplicates Z: 66 56.311 2.312 0.891 0.493 0.938 0.585 CB 1.714 66 residues pruned to eliminate duplicates Z: 95 66.389 2.247 0.872 0.595 0.904 0.649 CB 1.644 95 residues pruned to eliminate duplicates Z: 105 67.207 2.215 0.849 0.583 0.913 0.615 CB 1.626 105 residues pruned to eliminate duplicates Z: 32 18.073 2.116 0.557 0.273 0.871 0.323 CA 1.463 32 residues pruned to eliminate duplicates Z: 104 72.629 2.250 0.881 0.591 0.942 0.650 CB 1.646 104 residues pruned to eliminate duplicates Z: 108 68.410 2.227 0.764 0.613 0.935 0.701 CB 1.618 108 residues pruned to eliminate duplicates Z: 60 30.152 2.129 0.545 0.393 0.881 0.525 CB 1.517 60 residues pruned to eliminate duplicates Z: 70 68.776 2.296 0.973 0.625 0.957 0.681 CA 1.698 70 residues pruned to eliminate duplicates Z: 99 67.040 2.234 0.823 0.578 0.949 0.694 CB 1.626 99 residues pruned to eliminate duplicates Z: 74 67.778 2.278 0.988 0.594 0.932 0.685 CB 1.719 74 residues pruned to eliminate duplicates Z: 98 73.070 2.298 0.835 0.602 0.948 0.660 CB 1.683 98 residues pruned to eliminate duplicates Z: 98 66.999 2.280 0.819 0.582 0.928 0.722 CB 1.633 98 residues pruned to eliminate duplicates Z: 100 70.640 2.256 0.812 0.612 0.939 0.636 CB 1.662 100 residues pruned to eliminate duplicates Z: 71 63.272 2.287 0.951 0.627 0.943 0.700 CA 1.595 71 residues pruned to eliminate duplicates Z: 105 74.424 2.245 0.890 0.598 0.952 0.663 CB 1.646 105 residues pruned to eliminate duplicates Z: 102 73.961 2.275 0.846 0.595 0.950 0.604 CB 1.684 102 residues pruned to eliminate duplicates Z: 38 24.174 2.210 0.630 0.312 0.892 0.432 CB 1.522 38 residues pruned to eliminate duplicates Z: 24 15.216 2.064 0.617 0.223 0.826 0.478 CA 1.593 24 residues pruned to eliminate duplicates Z: 73 60.404 2.253 0.836 0.611 0.944 0.625 CA 1.641 73 residues pruned to eliminate duplicates Z: 99 66.583 2.261 0.836 0.594 0.918 0.602 CB 1.612 99 residues pruned to eliminate duplicates Z: 108 65.156 2.180 0.833 0.554 0.944 0.626 CB 1.584 108 residues pruned to eliminate duplicates Z: 92 74.686 2.308 0.923 0.616 0.945 0.681 CB 1.672 92 residues pruned to eliminate duplicates Z: 117 67.961 2.161 0.874 0.613 0.940 0.612 CB 1.491 63 residues pruned to eliminate duplicates Z: 9 11.856 2.036 0.580 0.610 1.000 0.625 CB 1.174 9 residues pruned to eliminate duplicates Z: 106 65.806 2.226 0.815 0.572 0.905 0.619 CB 1.638 56 residues pruned to eliminate duplicates Z: 9 9.460 1.777 0.517 0.762 1.000 0.875 CB 0.983 9 residues pruned to eliminate duplicates Z: 37 26.301 2.153 0.793 0.283 0.889 0.389 CB 1.631 37 residues pruned to eliminate duplicates Z: 105 64.477 2.210 0.822 0.561 0.913 0.606 CB 1.620 96 residues pruned to eliminate duplicates Z: 9 15.850 2.087 0.825 0.621 1.000 0.750 CA 1.312 9 residues pruned to eliminate duplicates Z: 71 65.591 2.296 0.902 0.621 0.971 0.686 CA 1.649 71 residues pruned to eliminate duplicates Z: 91 77.968 2.314 0.993 0.613 0.956 0.633 CB 1.676 104 residues pruned to eliminate duplicates Z: 13 39.227 2.415 0.925 0.910 1.000 0.917 CA 1.728 13 residues pruned to eliminate duplicates Z: 89 58.707 2.289 0.887 0.529 0.909 0.625 CB 1.550 89 residues pruned to eliminate duplicates Z: 101 81.103 2.281 0.989 0.618 0.950 0.600 CB 1.684 101 residues pruned to eliminate duplicates Z: 70 62.075 2.264 0.890 0.595 0.971 0.623 CA 1.643 70 residues pruned to eliminate duplicates Z: 82 57.861 2.230 0.860 0.570 0.901 0.593 CB 1.608 82 residues pruned to eliminate duplicates Z: 45 71.093 2.306 1.164 0.824 0.977 0.727 CA 1.659 45 residues pruned to eliminate duplicates Z: 84 70.111 2.241 0.993 0.647 0.952 0.651 CB 1.578 69 residues pruned to eliminate duplicates Z: 15 36.428 2.204 1.195 0.865 1.000 0.786 CB 1.474 Z: 42 56.092 2.211 1.111 0.769 0.976 0.659 CA 1.516 57 residues pruned to eliminate duplicates Z: 45 71.166 2.284 1.238 0.792 1.000 0.682 CA 1.624 45 residues pruned to eliminate duplicates Z: 106 77.165 2.240 0.989 0.588 0.943 0.600 CB 1.647 106 residues pruned to eliminate duplicates Z: 99 76.001 2.274 0.970 0.621 0.908 0.673 CA 1.683 99 residues pruned to eliminate duplicates Z: 103 73.655 2.240 0.908 0.607 0.951 0.578 CB 1.620 103 residues pruned to eliminate duplicates Z: 41 56.993 2.189 1.207 0.738 0.950 0.675 CA 1.586 41 residues pruned to eliminate duplicates Z: 45 62.350 2.288 1.065 0.782 0.977 0.727 CA 1.588 45 residues pruned to eliminate duplicates Z: 44 62.126 2.227 1.101 0.783 0.977 0.791 CA 1.616 44 residues pruned to eliminate duplicates Z: 40 68.083 2.283 1.365 0.746 0.974 0.718 CB 1.663 40 residues pruned to eliminate duplicates Z: 40 60.041 2.254 1.239 0.757 0.923 0.718 CB 1.642 40 residues pruned to eliminate duplicates Z: 44 72.293 2.317 1.207 0.807 1.000 0.884 CA 1.650 44 residues pruned to eliminate duplicates Z: 45 68.674 2.270 1.198 0.797 0.977 0.773 CA 1.637 45 residues pruned to eliminate duplicates Z: 102 75.809 2.269 0.899 0.618 0.931 0.604 CA 1.683 102 residues pruned to eliminate duplicates Z: 44 71.029 2.289 1.170 0.805 0.977 0.628 CA 1.711 44 residues pruned to eliminate duplicates Z: 44 59.137 2.240 1.169 0.707 0.930 0.674 CB 1.653 44 residues pruned to eliminate duplicates Z: 46 68.237 2.273 1.151 0.770 1.000 0.800 CA 1.638 46 residues pruned to eliminate duplicates Z: 97 80.665 2.298 1.052 0.574 0.969 0.594 CB 1.679 97 residues pruned to eliminate duplicates Z: 111 72.366 2.198 0.946 0.589 0.955 0.545 CB 1.553 111 residues pruned to eliminate duplicates Z: 48 67.764 2.226 1.404 0.748 0.936 0.574 CB 1.582 48 residues pruned to eliminate duplicates Z: 47 63.528 2.239 1.175 0.768 0.957 0.652 CA 1.585 47 residues pruned to eliminate duplicates Z: 46 70.255 2.281 1.235 0.766 0.956 0.622 CA 1.699 46 residues pruned to eliminate duplicates Z: 102 68.394 2.249 0.902 0.582 0.931 0.653 CB 1.581 102 residues pruned to eliminate duplicates Z: 46 69.801 2.263 1.246 0.747 0.956 0.600 CA 1.718 46 residues pruned to eliminate duplicates Z: 45 79.848 2.275 1.445 0.789 0.977 0.614 CB 1.717 45 residues pruned to eliminate duplicates Z: 51 65.299 2.210 1.209 0.699 0.960 0.580 CB 1.644 51 residues pruned to eliminate duplicates Z: 44 71.080 2.216 1.397 0.814 0.953 0.372 CB 1.629 44 residues pruned to eliminate duplicates Z: 102 79.710 2.269 0.961 0.611 0.960 0.525 CB 1.671 102 residues pruned to eliminate duplicates Z: 97 71.412 2.231 1.020 0.573 0.938 0.562 CB 1.607 97 residues pruned to eliminate duplicates Z: 33 45.861 2.109 1.212 0.780 0.938 0.531 CB 1.448 33 residues pruned to eliminate duplicates Z: 44 79.818 2.309 1.371 0.792 1.000 0.581 CB 1.720 44 residues pruned to eliminate duplicates Z: 106 69.909 2.236 0.910 0.585 0.933 0.514 CB 1.578 106 residues pruned to eliminate duplicates Z: 35 43.959 2.123 1.142 0.747 0.912 0.382 CB 1.458 35 residues pruned to eliminate duplicates Z: 136 77.047 2.229 0.898 0.573 0.911 0.519 CB 1.603 113 residues pruned to eliminate duplicates Z: 7 7.432 1.869 0.537 0.648 0.833 0.500 N 1.104 7 residues pruned to eliminate duplicates Z: 48 56.894 2.205 0.826 0.801 0.979 0.787 CB 1.619 33 residues pruned to eliminate duplicates Z: 7 9.137 1.831 0.269 0.764 0.833 0.667 CB 1.524 7 residues pruned to eliminate duplicates Z: 44 45.793 2.189 0.848 0.745 0.930 0.767 CA 1.491 44 residues pruned to eliminate duplicates Z: 8 7.539 2.096 0.394 0.568 0.857 0.857 CB 1.065 8 residues pruned to eliminate duplicates Z: 10 12.880 2.049 0.551 0.570 0.889 0.778 CB 1.420 10 residues pruned to eliminate duplicates Z: 45 54.487 2.219 0.911 0.755 0.909 0.773 CA 1.698 45 residues pruned to eliminate duplicates Z: 95 73.889 2.218 0.914 0.690 0.915 0.713 CB 1.648 95 residues pruned to eliminate duplicates Z: 47 55.662 2.169 1.042 0.744 0.957 0.717 CA 1.557 47 residues pruned to eliminate duplicates Z: 43 46.029 2.144 0.873 0.702 0.929 0.714 CA 1.584 43 residues pruned to eliminate duplicates Z: 42 55.690 2.250 0.943 0.739 0.951 0.732 CA 1.687 42 residues pruned to eliminate duplicates Z: 39 57.328 2.245 1.076 0.763 0.974 0.763 CB 1.623 39 residues pruned to eliminate duplicates Z: 47 66.358 2.249 1.045 0.802 0.957 0.739 CA 1.708 47 residues pruned to eliminate duplicates Z: 42 49.426 2.207 0.850 0.737 0.927 0.732 CA 1.649 42 residues pruned to eliminate duplicates Z: 45 60.064 2.249 0.999 0.775 0.932 0.795 CA 1.695 45 residues pruned to eliminate duplicates Z: 40 55.920 2.268 1.131 0.695 0.949 0.641 CB 1.634 49 residues pruned to eliminate duplicates Z: 47 60.089 2.187 1.135 0.751 0.935 0.696 CB 1.623 47 residues pruned to eliminate duplicates Z: 49 56.030 2.164 0.884 0.783 0.938 0.792 CA 1.648 49 residues pruned to eliminate duplicates Z: 40 56.378 2.186 1.171 0.750 0.974 0.718 CB 1.562 40 residues pruned to eliminate duplicates Z: 48 70.494 2.237 1.160 0.793 0.979 0.702 CA 1.682 48 residues pruned to eliminate duplicates Z: 46 63.789 2.230 1.169 0.763 0.956 0.622 CB 1.629 51 residues pruned to eliminate duplicates Z: 29 44.992 2.028 0.973 0.895 1.000 0.786 CA 1.523 25 residues pruned to eliminate duplicates Z: 29 53.352 2.109 1.158 0.935 1.000 0.750 CB 1.544 28 residues pruned to eliminate duplicates Z: 30 46.083 1.998 1.033 0.912 1.000 0.690 CA 1.492 30 residues pruned to eliminate duplicates Z: 49 66.433 2.221 1.169 0.797 0.938 0.583 CB 1.637 51 residues pruned to eliminate duplicates Z: 30 49.913 2.026 0.984 0.942 1.000 0.724 CB 1.600 30 residues pruned to eliminate duplicates Z: 44 61.920 2.255 1.196 0.733 0.953 0.628 CB 1.622 44 residues pruned to eliminate duplicates Z: 45 63.986 2.219 1.281 0.734 0.977 0.591 CB 1.581 45 residues pruned to eliminate duplicates Z: 49 67.321 2.230 1.127 0.768 0.958 0.604 CB 1.685 49 residues pruned to eliminate duplicates Z: 42 71.045 2.286 1.286 0.779 1.000 0.537 CB 1.660 42 residues pruned to eliminate duplicates Z: 47 60.193 2.212 1.028 0.761 0.935 0.522 CB 1.678 47 residues pruned to eliminate duplicates Z: 47 60.244 2.187 1.162 0.776 0.913 0.543 CB 1.612 47 residues pruned to eliminate duplicates Z: 48 60.952 2.235 1.054 0.777 0.915 0.553 CB 1.658 48 residues pruned to eliminate duplicates Z: 50 67.818 2.208 1.208 0.759 0.939 0.571 CB 1.682 50 residues pruned to eliminate duplicates Z: 48 59.409 2.138 1.156 0.722 0.957 0.553 CA 1.607 48 residues pruned to eliminate duplicates Z: 83 52.608 2.042 0.925 0.598 0.902 0.439 CB 1.491 98 residues pruned to eliminate duplicates Z: 19 33.722 1.944 1.126 0.786 0.944 0.500 CB 1.583 19 residues pruned to eliminate duplicates Z: 17 33.244 1.997 1.013 0.915 0.938 0.500 CA 1.559 17 residues pruned to eliminate duplicates Z: 16 30.208 1.998 1.208 0.847 0.867 0.400 CB 1.515 16 residues pruned to eliminate duplicates Z: 48 72.247 2.205 1.229 0.781 1.000 0.617 CA 1.673 48 residues pruned to eliminate duplicates Z: 47 61.135 2.131 1.250 0.752 0.935 0.435 CB 1.607 47 residues pruned to eliminate duplicates Z: 97 72.721 2.177 0.973 0.673 0.896 0.583 CB 1.645 97 residues pruned to eliminate duplicates Z: 50 53.471 2.205 0.962 0.755 0.857 0.490 CB 1.641 50 residues pruned to eliminate duplicates Z: 51 60.227 2.190 1.072 0.758 0.940 0.520 CB 1.587 51 residues pruned to eliminate duplicates Z: 21 37.379 1.901 1.137 0.845 0.950 0.550 CB 1.611 21 residues pruned to eliminate duplicates Z: 46 48.939 2.127 1.120 0.669 0.911 0.467 CB 1.520 46 residues pruned to eliminate duplicates Z: 20 33.192 1.877 1.048 0.847 0.947 0.737 CB 1.553 20 residues pruned to eliminate duplicates Z: 15 14.495 1.845 0.501 0.684 0.929 0.571 CB 1.272 15 residues pruned to eliminate duplicates Z: 13 18.248 2.001 0.371 0.827 1.000 0.750 CB 1.448 13 residues pruned to eliminate duplicates Z: 59 70.056 2.212 1.118 0.782 0.983 0.534 CB 1.558 59 residues pruned to eliminate duplicates Z: 9 7.951 1.881 0.494 0.443 0.875 0.750 CB 1.212 9 residues pruned to eliminate duplicates Z: 12 14.521 1.857 0.547 0.834 0.909 0.818 CB 1.257 12 residues pruned to eliminate duplicates Z: 11 20.180 1.949 0.690 0.915 1.000 0.900 CB 1.370 11 residues pruned to eliminate duplicates Z: 85 56.960 2.192 0.729 0.619 0.917 0.655 CB 1.599 85 residues pruned to eliminate duplicates Z: 14 12.555 1.874 0.298 0.770 0.846 0.692 CB 1.332 14 residues pruned to eliminate duplicates Z: 13 12.355 1.822 0.387 0.758 0.917 0.667 CB 1.224 13 residues pruned to eliminate duplicates Z: 13 11.846 1.864 0.380 0.821 0.917 0.667 CB 1.097 13 residues pruned to eliminate duplicates Z: 11 6.773 1.735 0.391 0.465 0.800 0.600 CB 1.149 11 residues pruned to eliminate duplicates Z: 11 7.936 1.913 0.434 0.476 0.900 0.600 CB 1.042 9 residues pruned to eliminate duplicates Z: 6 6.067 1.752 0.366 0.429 1.000 1.000 CA 1.220 6 residues pruned to eliminate duplicates Z: 8 8.059 1.972 0.286 0.357 1.000 0.429 CB 1.402 8 residues pruned to eliminate duplicates Z: 8 9.293 2.011 0.235 0.552 0.857 0.857 CB 1.568 8 residues pruned to eliminate duplicates Z: 10 8.097 1.933 0.142 0.413 1.000 0.333 CB 1.339 10 residues pruned to eliminate duplicates Z: 32 19.601 2.143 0.554 0.430 0.839 0.548 CB 1.355 32 residues pruned to eliminate duplicates Z: 39 28.115 2.084 0.793 0.494 0.868 0.605 CB 1.413 39 residues pruned to eliminate duplicates Z: 34 23.399 2.038 0.498 0.526 0.879 0.545 CB 1.481 34 residues pruned to eliminate duplicates Z: 25 15.968 2.133 0.445 0.388 0.917 0.292 CB 1.299 25 residues pruned to eliminate duplicates Z: 33 23.646 2.099 0.636 0.510 0.938 0.625 CB 1.286 33 residues pruned to eliminate duplicates Z: 30 19.152 2.160 0.370 0.511 0.862 0.655 CB 1.379 30 residues pruned to eliminate duplicates Z: 25 25.320 2.237 0.703 0.482 0.917 0.583 CB 1.508 25 residues pruned to eliminate duplicates Z: 30 26.894 2.158 0.784 0.534 0.931 0.621 CB 1.348 30 residues pruned to eliminate duplicates Z: 26 23.490 2.237 0.699 0.434 0.920 0.440 CB 1.439 26 residues pruned to eliminate duplicates Z: 39 28.802 2.145 0.794 0.497 0.895 0.579 CB 1.361 39 residues pruned to eliminate duplicates Z: 40 25.378 2.139 0.651 0.470 0.923 0.538 CB 1.285 40 residues pruned to eliminate duplicates Z: 25 21.328 2.241 0.686 0.461 0.875 0.625 CB 1.370 25 residues pruned to eliminate duplicates Z: 24 23.076 2.271 0.757 0.484 0.913 0.609 CB 1.342 24 residues pruned to eliminate duplicates Z: 23 25.807 2.286 0.800 0.491 0.955 0.591 CB 1.413 23 residues pruned to eliminate duplicates Z: 25 23.678 2.255 0.836 0.470 0.875 0.542 CB 1.375 25 residues pruned to eliminate duplicates Z: 31 23.292 2.175 0.671 0.491 0.867 0.567 CB 1.363 31 residues pruned to eliminate duplicates Z: 66 51.594 2.222 0.870 0.659 0.892 0.723 CB 1.489 66 residues pruned to eliminate duplicates Z: 22 25.193 2.308 0.865 0.533 0.857 0.619 CB 1.443 22 residues pruned to eliminate duplicates Z: 17 10.146 1.818 0.648 0.295 0.875 0.438 CB 1.217 17 residues pruned to eliminate duplicates Z: 37 24.615 2.154 0.545 0.508 0.889 0.500 CB 1.376 37 residues pruned to eliminate duplicates Z: 12 10.421 2.076 0.469 0.366 0.818 0.818 CB 1.454 12 residues pruned to eliminate duplicates Z: 10 13.694 2.051 0.628 0.511 0.889 0.778 CA 1.521 10 residues pruned to eliminate duplicates Z: 32 27.186 2.179 0.736 0.537 0.871 0.581 CB 1.430 32 residues pruned to eliminate duplicates Z: 29 29.771 2.231 0.728 0.584 0.964 0.607 CB 1.396 29 residues pruned to eliminate duplicates Z: 23 23.714 2.124 0.724 0.556 0.909 0.591 CB 1.438 23 residues pruned to eliminate duplicates Z: 18 16.133 2.012 0.755 0.516 0.941 0.588 CB 1.159 18 residues pruned to eliminate duplicates Z: 17 16.647 2.001 0.556 0.554 0.938 0.750 CB 1.352 17 residues pruned to eliminate duplicates Z: 7 8.007 1.774 0.437 0.672 1.000 0.667 CB 1.094 7 residues pruned to eliminate duplicates Z: 7 6.136 1.956 0.298 0.408 0.833 0.500 CB 1.304 7 residues pruned to eliminate duplicates Z: 28 29.185 2.230 0.781 0.598 0.926 0.704 CB 1.391 28 residues pruned to eliminate duplicates Z: 31 28.642 2.163 0.726 0.580 0.933 0.667 CB 1.389 31 residues pruned to eliminate duplicates Z: 13 6.971 1.548 0.348 0.391 0.917 0.417 CB 1.180 20 residues pruned to eliminate duplicates Z: 6 2.583 1.669 0.162 0.259 0.600 0.400 CB 1.307 6 residues pruned to eliminate duplicates Z: 11 7.939 1.724 0.230 0.435 1.000 0.400 CB 1.266 13 residues pruned to eliminate duplicates Z: 9 4.691 1.583 0.252 0.731 0.750 0.750 CB 0.906 6 residues pruned to eliminate duplicates Z: 8 6.577 1.632 0.398 0.833 0.857 0.714 CB 0.954 8 residues pruned to eliminate duplicates Z: 7 5.360 1.647 0.467 0.818 0.833 0.667 CB 0.824 7 residues pruned to eliminate duplicates Z: 16 8.318 1.583 0.416 0.425 0.867 0.533 CB 1.195 17 residues pruned to eliminate duplicates Z: 9 8.347 1.498 0.573 0.833 1.000 0.750 CB 0.939 8 residues pruned to eliminate duplicates Z: 8 5.893 1.502 0.589 0.828 0.857 0.714 CB 0.820 8 residues pruned to eliminate duplicates Z: 6 7.917 1.650 0.679 0.845 1.000 0.600 CB 0.950 6 residues pruned to eliminate duplicates Z: 9 6.549 1.569 0.611 0.780 1.000 0.500 CB 0.716 10 residues pruned to eliminate duplicates 1144 residues left after pruning, divided into chains as follows: A: 9 B: 8 C: 8 D: 38 E: 8 F: 22 G: 6 H: 7 I: 13 J: 9 K: 10 L: 8 M: 15 N: 37 O: 68 P: 16 Q: 109 R: 18 S: 74 T: 35 U: 14 V: 22 W: 59 X: 46 Y: 117 Z: 236 Z: 114 Z: 18 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 34.24 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.497, Connect. = 0.736 for dens.mod. cycle 1 = 0.300, Contrast = 0.564, Connect. = 0.754 for dens.mod. cycle 2 = 0.300, Contrast = 0.665, Connect. = 0.782 for dens.mod. cycle 3 = 0.300, Contrast = 0.669, Connect. = 0.782 for dens.mod. cycle 4 = 0.300, Contrast = 0.674, Connect. = 0.783 for dens.mod. cycle 5 = 0.300, Contrast = 0.676, Connect. = 0.784 for dens.mod. cycle 6 = 0.300, Contrast = 0.679, Connect. = 0.785 for dens.mod. cycle 7 = 0.300, Contrast = 0.680, Connect. = 0.786 for dens.mod. cycle 8 = 0.300, Contrast = 0.682, Connect. = 0.786 for dens.mod. cycle 9 = 0.300, Contrast = 0.682, Connect. = 0.787 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 7508 peaks > 0.5 sigma used to seed fragment search Space for about 1933 unique residues taking solvent into account 1715 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 13 28.311 2.418 0.589 0.915 1.000 1.000 CA 1.504 B: 31 51.906 2.296 0.687 0.929 1.000 0.867 CA 1.712 C: 13 37.293 2.379 0.991 0.913 1.000 0.917 CA 1.609 13 residues pruned to eliminate duplicates D: 13 29.264 2.249 0.770 0.882 1.000 0.917 CA 1.535 E: 11 30.087 2.245 0.640 0.856 1.000 0.400 N 1.906 F: 11 20.681 2.269 0.335 0.826 1.000 0.800 CA 1.629 11 residues pruned to eliminate duplicates G: 14 29.570 2.226 0.756 0.857 1.000 0.923 CA 1.546 14 residues pruned to eliminate duplicates H: 11 26.278 2.282 0.523 0.875 1.000 0.800 CA 1.740 10 residues pruned to eliminate duplicates I: 19 26.114 2.095 0.557 0.878 0.889 0.611 CB 1.540 J: 20 26.885 2.054 0.609 0.877 0.842 0.632 CB 1.609 19 residues pruned to eliminate duplicates K: 30 52.861 2.344 0.615 0.954 1.000 0.897 CA 1.784 31 residues pruned to eliminate duplicates L: 12 30.352 2.326 0.752 0.914 1.000 0.909 CA 1.588 M: 12 25.571 2.029 0.738 0.897 0.909 0.545 CB 1.721 N: 13 30.311 2.281 0.863 0.858 1.000 0.750 CA 1.516 12 residues pruned to eliminate duplicates O: 11 24.455 2.381 0.351 0.906 1.000 0.900 CB 1.709 11 residues pruned to eliminate duplicates P: 14 24.358 1.972 0.722 0.867 0.923 0.692 CB 1.577 13 residues pruned to eliminate duplicates Q: 13 22.200 2.122 0.535 0.859 0.833 0.750 CA 1.737 14 residues pruned to eliminate duplicates R: 8 11.521 1.749 0.565 0.868 1.000 1.000 CA 1.163 8 residues pruned to eliminate duplicates S: 12 22.413 2.105 0.599 0.800 1.000 0.545 CA 1.545 12 residues pruned to eliminate duplicates T: 7 19.313 2.161 1.005 0.856 1.000 1.000 CA 1.342 U: 12 31.168 2.110 0.965 0.848 1.000 0.818 CA 1.681 12 residues pruned to eliminate duplicates V: 7 13.664 2.101 0.508 0.832 1.000 0.833 CA 1.322 7 residues pruned to eliminate duplicates W: 22 20.810 1.895 0.496 0.829 0.905 0.762 CB 1.332 22 residues pruned to eliminate duplicates X: 14 6.938 1.924 0.522 0.375 0.769 0.538 CB 0.977 Y: 11 15.423 1.841 0.836 0.764 1.000 0.500 CB 1.141 Z: 15 26.928 2.045 0.838 0.792 0.929 0.643 CB 1.595 Z: 13 34.892 2.241 1.020 0.899 1.000 0.750 CA 1.590 13 residues pruned to eliminate duplicates Z: 12 29.948 2.331 0.768 0.911 1.000 1.000 CA 1.553 12 residues pruned to eliminate duplicates Z: 13 24.309 2.198 0.697 0.906 0.917 0.833 CA 1.460 13 residues pruned to eliminate duplicates Z: 31 51.283 2.281 0.720 0.918 1.000 0.900 CA 1.683 31 residues pruned to eliminate duplicates Z: 10 17.093 1.921 0.467 0.819 1.000 0.667 CA 1.533 11 residues pruned to eliminate duplicates Z: 13 31.670 2.074 0.825 0.913 1.000 0.833 CA 1.709 13 residues pruned to eliminate duplicates Z: 9 18.709 2.037 0.554 0.760 1.000 0.625 CA 1.658 10 residues pruned to eliminate duplicates Z: 9 15.135 1.952 0.485 0.828 0.875 0.875 N 1.588 9 residues pruned to eliminate duplicates Z: 16 23.692 2.065 0.394 0.882 1.000 0.867 CA 1.538 Z: 31 51.236 2.300 0.671 0.925 1.000 0.867 CA 1.708 31 residues pruned to eliminate duplicates Z: 8 9.673 1.891 0.214 0.878 1.000 1.000 CA 1.155 Z: 29 51.149 2.208 0.930 0.927 1.000 0.929 CA 1.589 Z: 12 21.888 2.074 0.769 0.791 0.909 0.545 CA 1.533 12 residues pruned to eliminate duplicates Z: 12 38.264 2.420 1.212 0.885 0.909 0.727 CA 1.712 13 residues pruned to eliminate duplicates Z: 11 24.139 2.390 0.352 0.881 1.000 0.900 CB 1.711 Z: 30 57.049 2.364 0.828 0.941 0.966 0.793 CB 1.762 30 residues pruned to eliminate duplicates Z: 29 52.315 2.210 1.007 0.940 1.000 0.929 CA 1.549 29 residues pruned to eliminate duplicates Z: 31 39.817 2.095 0.668 0.930 1.000 0.967 CA 1.454 31 residues pruned to eliminate duplicates Z: 13 44.347 2.255 1.521 0.884 1.000 0.667 CA 1.628 12 residues pruned to eliminate duplicates Z: 13 25.719 2.095 0.607 0.887 0.917 0.833 N 1.734 Z: 13 26.899 2.132 1.095 0.841 0.750 0.750 N 1.729 13 residues pruned to eliminate duplicates Z: 22 41.762 2.284 0.813 0.888 1.000 0.905 CA 1.585 22 residues pruned to eliminate duplicates Z: 8 23.537 2.283 0.463 0.898 1.000 1.000 CA 1.905 9 residues pruned to eliminate duplicates Z: 16 26.799 2.032 0.789 0.734 0.933 0.400 CB 1.653 15 residues pruned to eliminate duplicates Z: 79 55.971 2.250 0.759 0.581 0.936 0.667 CA 1.583 44 residues pruned to eliminate duplicates Z: 13 21.317 2.046 0.312 0.902 1.000 0.750 CB 1.635 13 residues pruned to eliminate duplicates Z: 41 20.017 2.124 0.484 0.397 0.825 0.525 CB 1.357 12 residues pruned to eliminate duplicates Z: 30 52.954 2.328 0.688 0.940 1.000 0.862 CA 1.737 30 residues pruned to eliminate duplicates Z: 13 42.345 2.187 1.580 0.925 1.000 0.333 CB 1.520 13 residues pruned to eliminate duplicates Z: 10 29.991 2.480 0.539 0.879 1.000 0.889 CB 1.899 10 residues pruned to eliminate duplicates Z: 24 36.319 2.097 0.808 0.927 0.957 0.913 CA 1.463 Z: 13 37.040 2.246 1.362 0.881 1.000 0.583 CB 1.459 13 residues pruned to eliminate duplicates Z: 15 23.948 1.879 0.634 0.877 1.000 0.857 CB 1.514 Z: 23 37.238 2.242 0.705 0.915 1.000 0.909 CA 1.468 23 residues pruned to eliminate duplicates Z: 12 24.977 2.187 0.575 0.835 1.000 0.727 CA 1.637 11 residues pruned to eliminate duplicates Z: 13 23.582 1.981 0.612 0.914 1.000 0.917 CB 1.507 13 residues pruned to eliminate duplicates Z: 18 24.014 1.801 0.846 0.849 0.941 0.706 CB 1.380 18 residues pruned to eliminate duplicates Z: 13 21.334 2.101 0.370 0.880 0.917 0.333 CB 1.692 13 residues pruned to eliminate duplicates Z: 13 19.875 2.048 0.197 0.886 1.000 0.833 CB 1.689 13 residues pruned to eliminate duplicates Z: 14 18.319 2.332 0.812 0.553 0.846 0.462 CB 1.350 7 residues pruned to eliminate duplicates Z: 15 29.401 2.017 1.116 0.878 0.929 0.571 CB 1.439 14 residues pruned to eliminate duplicates Z: 12 35.825 2.383 0.877 0.921 1.000 0.909 CA 1.700 13 residues pruned to eliminate duplicates Z: 12 30.147 2.211 0.893 0.899 1.000 0.455 CA 1.552 12 residues pruned to eliminate duplicates Z: 31 53.677 2.288 0.739 0.946 1.000 0.933 CA 1.703 31 residues pruned to eliminate duplicates Z: 12 29.834 2.086 1.290 0.819 0.909 0.455 CB 1.571 12 residues pruned to eliminate duplicates Z: 8 14.476 1.894 0.528 0.808 1.000 0.857 CB 1.445 Z: 12 36.699 2.281 1.103 0.869 1.000 0.909 CB 1.684 12 residues pruned to eliminate duplicates Z: 31 49.277 2.274 0.860 0.927 1.000 0.533 CB 1.491 31 residues pruned to eliminate duplicates Z: 12 37.753 2.337 1.095 0.910 1.000 0.727 CB 1.648 12 residues pruned to eliminate duplicates Z: 30 55.758 2.254 0.971 0.929 1.000 0.862 CA 1.631 30 residues pruned to eliminate duplicates Z: 31 45.072 2.113 0.873 0.940 1.000 0.833 CA 1.444 31 residues pruned to eliminate duplicates Z: 9 19.876 2.090 0.789 0.841 0.875 0.875 CA 1.601 Z: 21 23.811 1.935 0.648 0.856 0.900 0.600 CB 1.368 21 residues pruned to eliminate duplicates Z: 25 37.062 2.052 1.084 0.882 0.875 0.833 CA 1.463 26 residues pruned to eliminate duplicates Z: 6 10.697 2.304 -0.015 0.860 1.000 0.800 CB 1.550 5 residues pruned to eliminate duplicates Z: 28 30.878 1.999 0.632 0.907 0.889 0.593 CB 1.456 Z: 15 25.848 2.176 0.562 0.909 0.929 0.714 CB 1.554 Z: 29 32.445 1.916 0.888 0.892 0.964 0.929 CA 1.263 27 residues pruned to eliminate duplicates Z: 13 30.193 2.130 0.730 0.910 1.000 0.833 CB 1.678 13 residues pruned to eliminate duplicates Z: 30 60.493 2.346 0.959 0.941 1.000 0.759 CB 1.696 30 residues pruned to eliminate duplicates Z: 6 10.100 1.854 0.463 0.875 1.000 0.800 CA 1.211 Z: 12 23.356 2.170 0.481 0.851 1.000 0.818 CA 1.623 12 residues pruned to eliminate duplicates Z: 6 5.994 2.064 -0.124 0.724 0.800 0.800 CB 1.514 6 residues pruned to eliminate duplicates Z: 30 59.236 2.323 1.046 0.939 1.000 0.483 CB 1.608 30 residues pruned to eliminate duplicates Z: 14 22.421 1.923 0.539 0.889 1.000 0.923 CB 1.513 13 residues pruned to eliminate duplicates Z: 13 28.516 2.215 0.833 0.867 1.000 0.917 CA 1.484 13 residues pruned to eliminate duplicates Z: 30 54.662 2.283 0.821 0.930 1.000 0.759 CB 1.706 30 residues pruned to eliminate duplicates Z: 10 22.642 2.460 0.236 0.860 1.000 0.889 CB 1.825 10 residues pruned to eliminate duplicates Z: 13 40.613 2.316 1.286 0.893 0.917 0.500 CB 1.734 13 residues pruned to eliminate duplicates Z: 16 22.012 1.886 0.519 0.906 1.000 0.933 CA 1.411 16 residues pruned to eliminate duplicates Z: 12 20.625 1.974 0.557 0.877 0.909 0.818 CA 1.615 12 residues pruned to eliminate duplicates Z: 8 14.466 1.822 0.422 0.837 1.000 0.857 N 1.577 8 residues pruned to eliminate duplicates Z: 15 19.224 2.031 0.484 0.785 0.857 0.500 CB 1.548 15 residues pruned to eliminate duplicates Z: 15 18.450 1.800 0.429 0.869 1.000 0.929 CA 1.400 15 residues pruned to eliminate duplicates Z: 10 11.295 1.690 0.480 0.756 0.889 0.778 CB 1.349 10 residues pruned to eliminate duplicates Z: 16 18.436 2.036 0.156 0.881 1.000 0.867 CA 1.464 16 residues pruned to eliminate duplicates Z: 37 22.993 2.006 0.770 0.500 0.778 0.667 CB 1.387 40 residues pruned to eliminate duplicates Z: 23 11.951 2.009 0.223 0.406 0.818 0.545 CB 1.399 Z: 11 26.055 2.362 0.576 0.869 1.000 1.000 CA 1.616 11 residues pruned to eliminate duplicates Z: 9 21.896 2.067 0.689 0.899 1.000 0.875 CB 1.585 9 residues pruned to eliminate duplicates Z: 13 22.798 2.026 0.494 0.873 1.000 0.750 CA 1.583 13 residues pruned to eliminate duplicates Z: 23 33.288 1.942 0.745 0.917 1.000 0.773 CB 1.478 Z: 22 13.355 1.949 0.229 0.471 0.810 0.619 CB 1.548 21 residues pruned to eliminate duplicates Z: 46 25.814 2.196 0.665 0.414 0.800 0.578 CB 1.440 44 residues pruned to eliminate duplicates Z: 18 14.062 1.961 0.596 0.507 0.882 0.647 CB 1.226 Z: 12 17.751 2.135 0.299 0.864 0.909 0.545 CB 1.557 12 residues pruned to eliminate duplicates Z: 9 17.486 2.002 0.353 0.783 1.000 0.750 CA 1.779 9 residues pruned to eliminate duplicates Z: 13 31.568 2.172 1.237 0.833 1.000 0.500 CB 1.407 13 residues pruned to eliminate duplicates Z: 10 24.516 2.025 0.768 0.879 1.000 1.000 CA 1.655 9 residues pruned to eliminate duplicates Z: 14 21.141 2.087 0.575 0.809 0.923 0.692 CB 1.476 14 residues pruned to eliminate duplicates Z: 9 13.538 1.963 0.077 0.869 1.000 0.875 N 1.655 9 residues pruned to eliminate duplicates Z: 35 49.684 2.209 1.003 0.879 0.882 0.441 CB 1.583 39 residues pruned to eliminate duplicates Z: 9 13.495 1.917 0.302 0.829 1.000 0.875 CA 1.438 9 residues pruned to eliminate duplicates Z: 11 15.412 1.948 0.574 0.876 0.800 0.700 CB 1.444 Z: 28 37.191 2.121 0.927 0.827 0.926 0.630 CB 1.425 28 residues pruned to eliminate duplicates Z: 30 42.109 2.004 0.770 0.930 1.000 0.897 CB 1.542 25 residues pruned to eliminate duplicates Z: 16 28.423 2.071 0.529 0.937 1.000 0.800 CB 1.613 15 residues pruned to eliminate duplicates Z: 6 19.681 2.198 0.821 0.790 1.000 0.800 CA 1.705 Z: 12 17.386 1.930 0.394 0.841 0.909 0.909 CB 1.598 Z: 9 25.334 2.089 0.963 0.918 1.000 0.875 CB 1.541 9 residues pruned to eliminate duplicates Z: 15 24.922 2.174 0.381 0.934 1.000 0.857 CB 1.547 15 residues pruned to eliminate duplicates Z: 65 39.219 2.195 0.751 0.442 0.906 0.406 CB 1.494 54 residues pruned to eliminate duplicates Z: 15 21.231 1.903 0.652 0.886 0.857 0.714 CB 1.519 15 residues pruned to eliminate duplicates Z: 22 39.945 2.107 1.084 0.915 0.952 0.714 CA 1.473 22 residues pruned to eliminate duplicates Z: 29 33.600 1.926 0.540 0.925 0.964 0.857 CA 1.557 28 residues pruned to eliminate duplicates Z: 31 54.528 2.261 0.946 0.940 0.967 0.800 CB 1.625 31 residues pruned to eliminate duplicates Z: 11 20.654 1.846 0.962 0.888 1.000 0.800 CB 1.299 11 residues pruned to eliminate duplicates Z: 25 33.009 2.055 0.462 0.909 1.000 0.875 CA 1.592 25 residues pruned to eliminate duplicates Z: 17 24.134 1.997 0.485 0.866 0.938 0.812 CA 1.589 Z: 16 25.594 2.081 0.496 0.886 1.000 0.933 CA 1.532 16 residues pruned to eliminate duplicates Z: 26 30.517 2.019 0.396 0.869 1.000 0.800 CB 1.581 29 residues pruned to eliminate duplicates Z: 23 47.227 2.233 1.122 0.903 0.909 0.727 CB 1.666 23 residues pruned to eliminate duplicates Z: 9 15.910 1.976 0.592 0.872 1.000 0.875 CB 1.303 Z: 30 56.893 2.329 0.862 0.944 1.000 0.897 CB 1.687 30 residues pruned to eliminate duplicates Z: 17 21.829 1.886 0.617 0.800 0.938 0.625 CA 1.468 17 residues pruned to eliminate duplicates Z: 17 25.871 2.023 0.662 0.841 0.938 0.812 CA 1.531 17 residues pruned to eliminate duplicates Z: 12 27.026 2.170 0.652 0.924 1.000 0.545 CB 1.596 12 residues pruned to eliminate duplicates Z: 8 11.356 1.990 0.722 0.782 0.857 0.714 CB 1.140 8 residues pruned to eliminate duplicates Z: 14 27.276 2.174 0.650 0.885 0.923 0.846 CA 1.650 14 residues pruned to eliminate duplicates Z: 8 16.232 2.011 0.840 0.863 0.857 0.857 CB 1.419 8 residues pruned to eliminate duplicates Z: 14 22.431 2.025 0.372 0.836 1.000 0.692 CA 1.676 14 residues pruned to eliminate duplicates Z: 32 42.666 2.125 0.810 0.832 0.903 0.645 CB 1.656 32 residues pruned to eliminate duplicates Z: 7 9.947 2.067 0.084 0.676 1.000 0.667 CB 1.542 Z: 30 55.241 2.299 0.891 0.934 0.966 0.793 CB 1.705 29 residues pruned to eliminate duplicates Z: 13 19.014 2.066 0.359 0.884 0.917 0.833 CB 1.542 13 residues pruned to eliminate duplicates Z: 11 18.247 2.035 0.574 0.823 0.900 0.800 CA 1.513 12 residues pruned to eliminate duplicates Z: 27 47.979 2.253 1.027 0.895 0.962 0.808 CA 1.536 27 residues pruned to eliminate duplicates Z: 15 27.749 2.193 0.638 0.883 0.929 0.857 CA 1.608 16 residues pruned to eliminate duplicates Z: 16 33.056 2.098 0.864 0.918 1.000 0.933 CB 1.539 16 residues pruned to eliminate duplicates Z: 11 12.510 2.109 0.000 0.830 1.000 0.600 CA 1.411 11 residues pruned to eliminate duplicates Z: 16 22.545 1.867 0.541 0.906 0.933 0.733 CB 1.542 Z: 11 10.820 2.027 0.337 0.787 0.600 0.500 CB 1.635 11 residues pruned to eliminate duplicates Z: 31 52.749 2.305 0.746 0.942 0.967 0.933 CA 1.717 31 residues pruned to eliminate duplicates Z: 12 30.309 2.179 0.774 0.884 1.000 1.000 CA 1.708 12 residues pruned to eliminate duplicates Z: 13 24.502 2.147 1.105 0.806 0.917 0.500 CB 1.307 13 residues pruned to eliminate duplicates Z: 10 17.602 1.996 0.746 0.886 0.889 0.667 CA 1.366 9 residues pruned to eliminate duplicates Z: 12 38.265 2.424 1.004 0.907 1.000 0.727 CA 1.688 12 residues pruned to eliminate duplicates Z: 13 24.403 2.167 0.576 0.921 1.000 0.917 CA 1.452 13 residues pruned to eliminate duplicates Z: 26 36.659 2.024 0.641 0.939 0.960 0.760 CB 1.598 26 residues pruned to eliminate duplicates Z: 13 25.614 2.022 0.554 0.903 1.000 0.833 CB 1.678 13 residues pruned to eliminate duplicates Z: 14 20.358 2.019 0.316 0.922 0.923 0.846 CB 1.619 14 residues pruned to eliminate duplicates Z: 14 26.159 2.208 0.513 0.899 0.923 0.846 CA 1.682 14 residues pruned to eliminate duplicates Z: 8 13.923 2.118 0.423 0.896 1.000 0.714 CA 1.251 8 residues pruned to eliminate duplicates Z: 16 29.052 2.031 0.634 0.895 1.000 0.933 CB 1.620 16 residues pruned to eliminate duplicates Z: 6 11.452 2.140 0.702 0.763 0.800 0.600 CA 1.392 6 residues pruned to eliminate duplicates Z: 9 11.222 1.908 -0.072 0.882 1.000 0.750 CB 1.621 9 residues pruned to eliminate duplicates Z: 29 28.789 2.100 0.591 0.673 0.929 0.679 CB 1.495 20 residues pruned to eliminate duplicates Z: 15 19.792 2.070 0.352 0.865 0.929 0.857 CA 1.491 14 residues pruned to eliminate duplicates Z: 21 26.893 1.972 0.671 0.845 0.950 0.500 CB 1.429 21 residues pruned to eliminate duplicates Z: 17 11.108 2.001 0.423 0.502 0.812 0.688 CB 1.198 17 residues pruned to eliminate duplicates Z: 7 12.814 1.866 0.445 0.774 1.000 0.500 CB 1.522 Z: 6 6.594 1.856 -0.071 0.601 1.000 0.800 O 1.554 5 residues pruned to eliminate duplicates Z: 23 32.046 2.055 0.633 0.914 0.955 0.682 CB 1.509 22 residues pruned to eliminate duplicates Z: 16 30.178 2.040 0.754 0.865 1.000 0.800 CB 1.595 16 residues pruned to eliminate duplicates Z: 31 51.996 2.277 0.827 0.918 0.967 0.800 CA 1.665 31 residues pruned to eliminate duplicates Z: 17 23.796 2.098 0.549 0.789 0.938 0.812 CA 1.515 17 residues pruned to eliminate duplicates Z: 16 24.292 1.922 0.696 0.845 0.933 0.600 CA 1.532 15 residues pruned to eliminate duplicates Z: 24 42.476 2.201 1.017 0.918 0.957 0.957 CA 1.471 24 residues pruned to eliminate duplicates Z: 21 27.302 2.213 1.239 0.544 0.700 0.550 CB 1.685 17 residues pruned to eliminate duplicates Z: 31 48.895 2.135 0.984 0.931 0.967 0.700 CA 1.524 31 residues pruned to eliminate duplicates Z: 7 13.911 2.090 0.779 0.761 1.000 0.667 CB 1.211 16 residues pruned to eliminate duplicates Z: 6 13.863 1.828 0.969 0.864 0.800 0.400 N 1.578 Z: 11 16.631 2.016 0.246 0.870 1.000 0.800 CB 1.528 12 residues pruned to eliminate duplicates Z: 29 46.494 2.217 0.755 0.935 0.964 0.643 CB 1.632 29 residues pruned to eliminate duplicates Z: 11 22.783 2.227 0.699 0.806 0.900 0.700 CB 1.620 11 residues pruned to eliminate duplicates Z: 10 21.351 1.973 0.715 0.897 1.000 0.444 CB 1.505 10 residues pruned to eliminate duplicates Z: 16 28.467 2.056 0.751 0.907 0.933 0.533 CB 1.555 16 residues pruned to eliminate duplicates Z: 63 27.737 1.990 0.544 0.524 0.903 0.597 CB 1.239 Z: 12 16.425 1.902 0.524 0.815 1.000 0.818 CB 1.300 12 residues pruned to eliminate duplicates Z: 13 32.219 2.302 0.947 0.894 0.917 0.750 CA 1.624 13 residues pruned to eliminate duplicates Z: 21 13.027 2.127 0.498 0.251 0.750 0.500 CB 1.624 12 residues pruned to eliminate duplicates Z: 16 23.997 2.013 0.551 0.899 0.933 0.733 CB 1.519 16 residues pruned to eliminate duplicates Z: 13 28.146 2.348 0.643 0.905 1.000 0.833 CA 1.499 13 residues pruned to eliminate duplicates Z: 14 26.351 2.039 0.681 0.841 0.923 0.538 CA 1.723 14 residues pruned to eliminate duplicates Z: 8 7.970 1.910 0.432 0.426 0.857 0.714 CB 1.388 Z: 15 15.921 1.821 0.408 0.839 0.929 0.857 CA 1.335 15 residues pruned to eliminate duplicates Z: 10 15.078 2.074 0.304 0.876 0.889 0.444 CA 1.520 10 residues pruned to eliminate duplicates Z: 29 54.094 2.327 0.742 0.946 1.000 0.857 CA 1.743 29 residues pruned to eliminate duplicates Z: 9 21.093 2.075 1.079 0.882 0.875 0.625 CB 1.430 9 residues pruned to eliminate duplicates Z: 6 5.591 1.643 -0.093 0.845 1.000 1.000 CB 1.247 6 residues pruned to eliminate duplicates Z: 11 18.582 1.959 0.435 0.920 1.000 0.900 CB 1.472 10 residues pruned to eliminate duplicates Z: 24 29.016 1.935 0.793 0.821 0.913 0.391 CB 1.446 Z: 10 23.832 2.513 0.305 0.833 1.000 0.889 CA 1.818 10 residues pruned to eliminate duplicates Z: 24 26.338 1.967 0.617 0.896 0.870 0.609 CB 1.423 24 residues pruned to eliminate duplicates Z: 10 20.452 2.262 0.348 0.859 1.000 0.889 CA 1.644 10 residues pruned to eliminate duplicates Z: 31 52.029 2.296 0.720 0.944 0.967 0.800 CB 1.724 31 residues pruned to eliminate duplicates Z: 51 30.701 2.026 0.676 0.549 0.900 0.560 CB 1.355 51 residues pruned to eliminate duplicates Z: 17 7.773 1.840 0.296 0.526 0.875 0.438 CB 0.908 17 residues pruned to eliminate duplicates Z: 12 26.262 2.235 0.801 0.917 1.000 0.909 CA 1.388 13 residues pruned to eliminate duplicates Z: 27 15.406 1.896 0.544 0.445 0.808 0.538 CB 1.353 26 residues pruned to eliminate duplicates Z: 16 32.561 2.054 0.755 0.930 1.000 0.933 CB 1.630 16 residues pruned to eliminate duplicates Z: 13 20.576 2.081 0.284 0.843 1.000 0.750 CB 1.655 13 residues pruned to eliminate duplicates Z: 15 23.830 2.104 0.417 0.917 1.000 0.929 CA 1.507 15 residues pruned to eliminate duplicates Z: 13 21.237 1.852 0.830 0.890 1.000 0.833 CA 1.302 12 residues pruned to eliminate duplicates Z: 30 22.820 1.915 0.636 0.554 0.966 0.483 CB 1.329 28 residues pruned to eliminate duplicates Z: 17 18.912 1.856 0.655 0.769 0.875 0.625 CA 1.387 17 residues pruned to eliminate duplicates Z: 9 14.230 1.950 0.253 0.876 1.000 1.000 CB 1.497 9 residues pruned to eliminate duplicates Z: 29 27.225 2.012 0.643 0.667 0.964 0.607 CB 1.383 16 residues pruned to eliminate duplicates Z: 17 24.634 1.862 0.637 0.871 1.000 0.812 CA 1.474 17 residues pruned to eliminate duplicates Z: 29 52.235 2.201 1.054 0.929 0.964 0.643 CA 1.585 29 residues pruned to eliminate duplicates Z: 20 24.156 2.000 0.346 0.896 1.000 0.947 CB 1.475 20 residues pruned to eliminate duplicates Z: 16 21.490 1.854 0.376 0.912 1.000 0.800 CB 1.541 Z: 12 17.906 1.893 0.577 0.812 0.909 0.636 CA 1.517 11 residues pruned to eliminate duplicates Z: 38 14.969 2.082 0.502 0.259 0.730 0.459 CB 1.420 30 residues pruned to eliminate duplicates Z: 43 42.074 2.206 0.729 0.730 0.881 0.738 CB 1.571 44 residues pruned to eliminate duplicates Z: 8 4.876 1.984 -0.129 0.563 1.000 0.714 CB 1.003 Z: 7 26.730 2.219 1.115 0.868 1.000 0.833 CB 1.699 8 residues pruned to eliminate duplicates Z: 24 36.994 2.055 0.721 0.899 0.957 0.783 CB 1.630 24 residues pruned to eliminate duplicates Z: 6 12.220 1.982 0.345 0.870 1.000 1.000 CB 1.496 6 residues pruned to eliminate duplicates Z: 17 24.600 2.046 0.399 0.867 1.000 0.875 CA 1.571 17 residues pruned to eliminate duplicates Z: 10 18.442 1.849 0.629 0.847 1.000 0.778 CB 1.515 9 residues pruned to eliminate duplicates Z: 12 20.997 1.970 0.740 0.884 1.000 0.909 CA 1.334 13 residues pruned to eliminate duplicates Z: 6 11.434 1.969 0.673 0.843 0.800 0.600 CA 1.445 6 residues pruned to eliminate duplicates Z: 40 31.354 1.973 0.718 0.694 0.923 0.538 CB 1.344 24 residues pruned to eliminate duplicates Z: 11 18.227 2.054 0.405 0.841 1.000 0.800 CB 1.490 11 residues pruned to eliminate duplicates Z: 14 22.326 1.923 0.477 0.893 1.000 0.846 CB 1.565 14 residues pruned to eliminate duplicates Z: 25 31.415 2.030 0.607 0.866 0.958 0.667 CB 1.502 25 residues pruned to eliminate duplicates Z: 30 44.497 2.132 0.878 0.906 1.000 0.931 CA 1.468 30 residues pruned to eliminate duplicates Z: 31 42.606 2.192 0.785 0.933 0.933 0.567 CB 1.487 31 residues pruned to eliminate duplicates Z: 30 12.253 1.875 0.521 0.365 0.828 0.448 CB 1.115 30 residues pruned to eliminate duplicates Z: 17 28.700 1.980 0.709 0.895 1.000 0.875 CB 1.521 17 residues pruned to eliminate duplicates Z: 7 12.547 1.853 0.709 0.782 1.000 0.833 CA 1.262 7 residues pruned to eliminate duplicates Z: 12 17.139 1.919 0.330 0.885 1.000 0.636 O 1.462 12 residues pruned to eliminate duplicates Z: 16 25.864 2.103 0.470 0.927 1.000 0.867 CB 1.514 16 residues pruned to eliminate duplicates Z: 9 8.178 1.955 0.268 0.568 0.875 0.750 CB 1.249 10 residues pruned to eliminate duplicates Z: 16 23.902 2.055 0.300 0.921 1.000 0.800 CA 1.625 16 residues pruned to eliminate duplicates Z: 6 11.603 2.026 0.240 0.702 1.000 0.600 CA 1.719 6 residues pruned to eliminate duplicates Z: 23 28.210 2.045 0.315 0.883 1.000 0.864 CB 1.617 24 residues pruned to eliminate duplicates Z: 51 30.435 2.006 0.660 0.581 0.920 0.700 CB 1.299 53 residues pruned to eliminate duplicates Z: 14 24.048 1.981 0.493 0.818 1.000 0.692 CA 1.710 14 residues pruned to eliminate duplicates Z: 11 8.014 1.929 0.496 0.501 0.800 0.700 CB 1.097 9 residues pruned to eliminate duplicates Z: 9 11.599 1.770 0.720 0.678 0.875 0.750 N 1.307 9 residues pruned to eliminate duplicates Z: 10 8.515 1.995 0.534 0.488 0.778 0.778 CB 1.207 10 residues pruned to eliminate duplicates Z: 6 12.482 2.123 0.302 0.829 1.000 1.000 CB 1.520 Z: 7 10.481 2.038 0.442 0.526 1.000 0.500 CB 1.420 7 residues pruned to eliminate duplicates Z: 9 21.001 2.099 0.873 0.824 0.875 0.750 CA 1.630 9 residues pruned to eliminate duplicates Z: 12 13.306 1.827 0.416 0.818 0.909 0.727 CB 1.295 Z: 19 10.285 2.099 0.317 0.403 0.778 0.667 CB 1.248 16 residues pruned to eliminate duplicates Z: 29 47.164 2.206 0.827 0.959 1.000 1.000 CA 1.516 29 residues pruned to eliminate duplicates Z: 13 10.527 1.491 0.577 0.727 0.833 0.417 N 1.263 7 residues pruned to eliminate duplicates Z: 38 31.057 1.972 0.694 0.724 0.946 0.459 CB 1.320 39 residues pruned to eliminate duplicates Z: 15 32.314 2.228 0.637 0.928 1.000 0.857 CB 1.659 15 residues pruned to eliminate duplicates Z: 11 21.524 1.987 0.581 0.903 1.000 0.600 CB 1.543 11 residues pruned to eliminate duplicates Z: 30 54.535 2.148 1.155 0.929 0.966 0.483 CB 1.586 29 residues pruned to eliminate duplicates Z: 31 35.609 1.912 0.532 0.936 1.000 0.900 CA 1.546 30 residues pruned to eliminate duplicates Z: 12 11.288 1.811 0.231 0.893 1.000 0.818 CB 1.095 12 residues pruned to eliminate duplicates Z: 31 55.972 2.284 0.840 0.951 0.967 0.867 CB 1.733 31 residues pruned to eliminate duplicates Z: 14 13.683 1.801 0.093 0.909 1.000 0.923 CB 1.368 Z: 8 10.127 2.136 0.307 0.706 1.000 1.000 CB 1.137 8 residues pruned to eliminate duplicates Z: 15 27.674 2.107 0.731 0.888 0.929 0.857 CA 1.573 15 residues pruned to eliminate duplicates Z: 10 10.931 2.045 0.238 0.577 0.889 0.778 CB 1.504 10 residues pruned to eliminate duplicates Z: 14 21.287 1.988 0.588 0.874 0.923 0.769 N 1.474 13 residues pruned to eliminate duplicates Z: 24 25.694 1.950 0.294 0.907 1.000 0.826 CB 1.509 24 residues pruned to eliminate duplicates Z: 79 59.373 2.205 0.904 0.633 0.872 0.577 CB 1.622 79 residues pruned to eliminate duplicates Z: 18 15.432 1.950 0.606 0.464 0.882 0.588 CB 1.405 11 residues pruned to eliminate duplicates Z: 55 27.188 1.960 0.539 0.532 0.907 0.574 CB 1.310 55 residues pruned to eliminate duplicates Z: 62 39.414 2.191 0.748 0.469 0.902 0.541 CB 1.508 62 residues pruned to eliminate duplicates Z: 25 34.792 2.050 0.592 0.909 0.958 0.792 CB 1.612 25 residues pruned to eliminate duplicates Z: 14 18.344 2.135 0.250 0.876 0.923 0.846 CA 1.500 14 residues pruned to eliminate duplicates Z: 30 41.725 2.085 0.765 0.935 1.000 0.793 CA 1.467 30 residues pruned to eliminate duplicates Z: 15 28.959 2.096 0.836 0.918 0.929 0.786 CB 1.528 15 residues pruned to eliminate duplicates Z: 9 10.520 2.027 0.218 0.869 0.750 0.750 CA 1.467 9 residues pruned to eliminate duplicates Z: 74 54.165 2.260 0.846 0.510 0.945 0.644 CB 1.592 74 residues pruned to eliminate duplicates Z: 29 46.976 2.021 1.224 0.923 0.964 0.464 CB 1.439 29 residues pruned to eliminate duplicates Z: 30 40.511 1.960 1.011 0.910 0.966 0.759 CB 1.401 30 residues pruned to eliminate duplicates Z: 11 17.854 1.890 0.692 0.900 0.900 0.600 CA 1.401 11 residues pruned to eliminate duplicates Z: 12 22.422 2.120 0.348 0.909 1.000 1.000 CB 1.679 12 residues pruned to eliminate duplicates Z: 15 14.188 1.690 0.305 0.804 0.929 0.786 CB 1.420 15 residues pruned to eliminate duplicates Z: 28 39.013 2.026 0.715 0.929 0.963 0.741 CB 1.570 25 residues pruned to eliminate duplicates Z: 13 9.490 1.939 0.547 0.334 0.750 0.417 CB 1.461 Z: 11 22.293 1.964 0.832 0.913 1.000 0.400 CB 1.386 11 residues pruned to eliminate duplicates Z: 11 21.830 1.983 0.714 0.849 0.900 0.500 CA 1.673 11 residues pruned to eliminate duplicates Z: 30 34.651 1.944 0.721 0.890 0.966 0.759 CB 1.433 30 residues pruned to eliminate duplicates Z: 17 28.351 2.052 0.802 0.844 1.000 0.625 CA 1.426 19 residues pruned to eliminate duplicates Z: 31 20.026 2.070 0.642 0.486 0.867 0.500 CB 1.259 15 residues pruned to eliminate duplicates Z: 30 36.869 1.960 0.727 0.909 0.966 0.690 CB 1.487 30 residues pruned to eliminate duplicates Z: 29 55.538 2.226 1.038 0.902 1.000 0.643 CA 1.649 29 residues pruned to eliminate duplicates Z: 8 14.700 1.900 0.342 0.862 1.000 0.857 CB 1.600 8 residues pruned to eliminate duplicates Z: 13 12.161 1.719 0.288 0.859 0.917 0.500 CB 1.273 Z: 21 10.713 1.823 0.390 0.309 0.850 0.400 CB 1.375 Z: 12 19.216 2.217 0.310 0.839 1.000 0.727 CB 1.490 12 residues pruned to eliminate duplicates Z: 14 24.938 1.970 0.726 0.860 1.000 0.769 CA 1.496 14 residues pruned to eliminate duplicates Z: 31 48.559 2.271 0.711 0.915 1.000 0.867 CA 1.612 31 residues pruned to eliminate duplicates Z: 13 22.465 1.904 0.753 0.899 1.000 0.833 CB 1.389 13 residues pruned to eliminate duplicates Z: 25 28.838 1.879 0.622 0.873 0.917 0.708 CB 1.535 25 residues pruned to eliminate duplicates Z: 11 13.917 1.836 0.422 0.859 1.000 0.700 CB 1.240 Z: 13 16.223 2.034 0.456 0.603 0.917 0.833 CB 1.564 13 residues pruned to eliminate duplicates Z: 8 4.124 1.745 0.375 0.239 0.714 0.571 CB 1.231 Z: 8 13.040 1.893 0.246 0.885 1.000 0.857 CB 1.509 8 residues pruned to eliminate duplicates Z: 17 29.266 2.092 0.731 0.814 1.000 0.812 CA 1.539 17 residues pruned to eliminate duplicates Z: 15 21.488 2.001 0.409 0.852 1.000 0.857 CA 1.506 15 residues pruned to eliminate duplicates Z: 27 55.670 2.195 1.150 0.923 1.000 0.462 CB 1.626 28 residues pruned to eliminate duplicates Z: 31 27.277 2.046 0.718 0.587 0.900 0.533 CB 1.449 53 residues pruned to eliminate duplicates Z: 16 24.538 1.936 0.490 0.875 1.000 0.800 CA 1.597 16 residues pruned to eliminate duplicates Z: 28 45.062 2.017 1.067 0.936 0.963 0.519 CB 1.504 28 residues pruned to eliminate duplicates Z: 8 22.405 1.978 1.134 0.884 1.000 1.000 CA 1.450 8 residues pruned to eliminate duplicates Z: 28 39.705 2.033 0.667 0.930 1.000 0.704 CB 1.577 28 residues pruned to eliminate duplicates Z: 9 14.049 1.820 0.858 0.807 1.000 0.875 CB 1.124 6 residues pruned to eliminate duplicates Z: 6 6.436 1.983 0.304 0.587 0.800 0.600 CB 1.280 6 residues pruned to eliminate duplicates Z: 16 28.610 2.065 0.725 0.862 1.000 0.800 CA 1.522 16 residues pruned to eliminate duplicates Z: 10 24.523 2.021 1.035 0.923 1.000 0.556 CA 1.397 10 residues pruned to eliminate duplicates Z: 11 17.231 2.020 0.349 0.908 1.000 0.900 CB 1.420 13 residues pruned to eliminate duplicates Z: 9 8.009 1.879 0.407 0.788 0.875 0.750 CB 0.951 9 residues pruned to eliminate duplicates Z: 29 58.782 2.194 1.193 0.925 1.000 0.750 CB 1.620 29 residues pruned to eliminate duplicates Z: 12 16.724 1.769 0.693 0.891 1.000 0.636 CB 1.211 12 residues pruned to eliminate duplicates Z: 15 21.743 1.964 0.595 0.839 0.929 0.857 CB 1.492 16 residues pruned to eliminate duplicates 7 1.806 1.673 0.438 0.119 0.833 0.333 CB 0.594 ? Z: 54 28.101 1.983 0.618 0.501 0.906 0.585 CB 1.327 51 residues pruned to eliminate duplicates Z: 17 24.185 2.014 0.461 0.887 1.000 0.875 CA 1.481 17 residues pruned to eliminate duplicates Z: 9 10.300 1.976 0.139 0.820 0.750 0.625 CB 1.633 9 residues pruned to eliminate duplicates Z: 11 13.722 1.841 0.568 0.875 1.000 0.700 CB 1.093 Z: 17 23.053 1.966 0.540 0.860 0.938 0.812 CB 1.493 17 residues pruned to eliminate duplicates Z: 7 12.827 1.856 0.415 0.866 1.000 0.833 CB 1.460 7 residues pruned to eliminate duplicates Z: 11 24.430 2.067 0.863 0.887 1.000 0.600 CA 1.447 11 residues pruned to eliminate duplicates Z: 10 8.769 1.812 0.760 0.589 0.889 0.444 CB 0.947 Z: 7 9.097 1.938 0.050 0.790 1.000 0.833 CA 1.415 7 residues pruned to eliminate duplicates Z: 22 28.625 2.002 0.598 0.908 0.952 0.810 CB 1.455 22 residues pruned to eliminate duplicates Z: 60 33.170 2.197 0.621 0.420 0.864 0.525 CB 1.526 50 residues pruned to eliminate duplicates Z: 16 24.891 2.066 0.542 0.927 1.000 0.933 CA 1.414 16 residues pruned to eliminate duplicates Z: 27 28.627 2.062 0.661 0.677 0.962 0.654 CB 1.448 29 residues pruned to eliminate duplicates Z: 12 36.755 2.293 1.171 0.895 1.000 0.727 CB 1.596 12 residues pruned to eliminate duplicates Z: 12 6.375 1.473 0.428 0.542 0.818 0.364 CB 1.072 12 residues pruned to eliminate duplicates Z: 31 56.195 2.234 1.030 0.945 1.000 0.500 CB 1.565 31 residues pruned to eliminate duplicates Z: 11 18.023 1.921 0.729 0.877 0.900 0.700 CB 1.384 11 residues pruned to eliminate duplicates Z: 16 21.644 1.941 0.463 0.835 0.933 0.667 CB 1.579 15 residues pruned to eliminate duplicates Z: 11 5.219 1.956 0.418 0.304 0.600 0.300 CB 1.234 5 residues pruned to eliminate duplicates Z: 9 14.977 1.906 0.470 0.735 1.000 0.625 CA 1.530 8 residues pruned to eliminate duplicates Z: 12 16.092 1.802 0.566 0.865 0.909 0.909 CB 1.386 12 residues pruned to eliminate duplicates Z: 29 52.227 2.210 1.065 0.927 0.929 0.571 CA 1.632 29 residues pruned to eliminate duplicates Z: 9 20.880 2.066 0.501 0.880 1.000 0.750 CA 1.725 9 residues pruned to eliminate duplicates Z: 24 14.981 1.917 0.443 0.504 0.913 0.565 CB 1.232 24 residues pruned to eliminate duplicates Z: 29 38.327 1.972 0.562 0.931 1.000 0.929 CB 1.643 29 residues pruned to eliminate duplicates Z: 44 31.214 2.177 0.792 0.498 0.837 0.395 CB 1.460 44 residues pruned to eliminate duplicates Z: 9 16.991 1.921 0.862 0.894 0.875 0.625 CB 1.377 9 residues pruned to eliminate duplicates Z: 16 29.778 2.119 0.942 0.888 0.933 0.733 CA 1.443 16 residues pruned to eliminate duplicates Z: 42 25.650 2.024 0.587 0.514 0.902 0.634 CB 1.363 42 residues pruned to eliminate duplicates Z: 23 40.499 2.198 0.991 0.914 0.955 0.773 CA 1.462 23 residues pruned to eliminate duplicates Z: 11 22.000 2.068 0.505 0.831 1.000 0.700 CA 1.680 12 residues pruned to eliminate duplicates Z: 39 20.637 1.981 0.459 0.484 0.868 0.658 CB 1.355 41 residues pruned to eliminate duplicates Z: 23 18.754 1.965 0.026 0.908 0.955 0.909 CB 1.476 23 residues pruned to eliminate duplicates Z: 30 23.677 1.996 0.686 0.562 0.862 0.759 CB 1.427 30 residues pruned to eliminate duplicates Z: 29 48.975 2.202 0.918 0.935 0.964 0.679 CA 1.583 29 residues pruned to eliminate duplicates Z: 15 26.493 2.167 0.407 0.891 1.000 0.857 CB 1.669 15 residues pruned to eliminate duplicates Z: 11 20.457 1.946 0.730 0.884 1.000 0.700 CB 1.389 11 residues pruned to eliminate duplicates Z: 15 21.255 2.089 0.335 0.923 1.000 0.857 CA 1.432 15 residues pruned to eliminate duplicates Z: 13 24.452 2.175 0.551 0.859 0.917 0.750 CB 1.679 13 residues pruned to eliminate duplicates Z: 12 23.473 2.130 0.281 0.924 1.000 0.909 CB 1.822 12 residues pruned to eliminate duplicates Z: 8 10.081 1.811 0.271 0.708 1.000 0.714 CB 1.370 8 residues pruned to eliminate duplicates Z: 29 26.463 2.028 0.660 0.657 0.893 0.536 CB 1.438 29 residues pruned to eliminate duplicates Z: 9 16.408 1.948 0.582 0.903 0.875 0.750 CB 1.533 9 residues pruned to eliminate duplicates Z: 15 22.693 1.891 0.629 0.893 1.000 0.929 CB 1.414 16 residues pruned to eliminate duplicates Z: 7 4.714 1.614 0.257 0.369 0.833 0.500 C 1.310 Z: 50 29.120 2.024 0.667 0.560 0.878 0.653 CB 1.326 50 residues pruned to eliminate duplicates Z: 15 25.443 2.127 0.546 0.913 0.929 0.857 CB 1.576 15 residues pruned to eliminate duplicates Z: 9 10.839 1.645 0.466 0.750 1.000 0.625 CB 1.271 11 residues pruned to eliminate duplicates Z: 17 23.912 1.831 0.629 0.890 1.000 0.812 CB 1.441 17 residues pruned to eliminate duplicates Z: 27 20.631 1.993 0.724 0.473 0.846 0.615 CB 1.431 41 residues pruned to eliminate duplicates Z: 19 16.774 1.906 0.915 0.506 0.889 0.556 CB 1.212 17 residues pruned to eliminate duplicates Z: 12 20.204 2.191 0.314 0.898 1.000 0.818 CA 1.513 12 residues pruned to eliminate duplicates Z: 15 22.702 1.990 0.502 0.903 0.929 0.857 CB 1.558 15 residues pruned to eliminate duplicates Z: 17 28.027 2.029 0.694 0.878 1.000 0.688 CB 1.479 17 residues pruned to eliminate duplicates Z: 10 18.474 1.961 0.639 0.888 0.889 0.667 CB 1.553 10 residues pruned to eliminate duplicates Z: 18 43.946 2.193 1.068 0.931 0.941 0.588 CB 1.745 18 residues pruned to eliminate duplicates Z: 28 36.532 1.986 0.638 0.933 1.000 0.667 CB 1.508 28 residues pruned to eliminate duplicates Z: 15 14.749 1.674 0.379 0.868 0.929 0.786 CB 1.344 Z: 15 28.548 2.082 0.683 0.908 1.000 0.786 CA 1.546 15 residues pruned to eliminate duplicates Z: 30 57.089 2.329 0.975 0.944 0.966 0.552 CB 1.654 30 residues pruned to eliminate duplicates Z: 61 33.698 2.190 0.646 0.435 0.867 0.500 CB 1.490 59 residues pruned to eliminate duplicates Z: 22 26.316 2.017 0.637 0.919 0.857 0.667 CB 1.430 22 residues pruned to eliminate duplicates Z: 7 5.327 1.899 0.039 0.395 0.833 0.500 C 1.477 Z: 16 28.446 1.960 0.733 0.880 1.000 0.733 CB 1.567 16 residues pruned to eliminate duplicates Z: 14 21.762 1.879 0.770 0.886 1.000 0.846 CB 1.309 14 residues pruned to eliminate duplicates Z: 19 27.411 2.081 0.491 0.858 0.944 0.889 CB 1.623 19 residues pruned to eliminate duplicates Z: 32 25.563 1.976 0.524 0.636 0.903 0.645 CB 1.486 31 residues pruned to eliminate duplicates Z: 10 7.131 1.741 0.236 0.558 0.889 0.556 CB 1.175 Z: 10 8.533 1.778 0.566 0.419 0.889 0.556 CB 1.250 6 0.432 1.685 -0.031 0.417 0.600 0.400 CB 0.215 ? Z: 7 3.566 1.266 0.388 0.456 0.833 0.500 O 1.040 Z: 15 17.354 1.872 0.221 0.914 1.000 0.929 CB 1.435 15 residues pruned to eliminate duplicates Z: 6 5.999 1.724 0.334 0.747 1.000 0.800 CB 0.935 Z: 28 36.182 2.008 0.750 0.949 0.963 0.926 CA 1.421 28 residues pruned to eliminate duplicates Z: 12 22.615 1.946 0.709 0.913 1.000 0.727 CA 1.451 12 residues pruned to eliminate duplicates Z: 14 22.911 1.993 0.452 0.914 1.000 0.923 CB 1.553 14 residues pruned to eliminate duplicates Z: 15 26.130 2.144 0.460 0.920 1.000 0.929 CA 1.571 15 residues pruned to eliminate duplicates Z: 12 12.443 1.742 0.377 0.870 1.000 0.636 CB 1.142 12 residues pruned to eliminate duplicates Z: 7 6.669 1.644 0.235 0.822 1.000 0.833 CB 1.014 7 residues pruned to eliminate duplicates Z: 23 28.649 2.008 0.568 0.871 0.955 0.682 CB 1.482 23 residues pruned to eliminate duplicates Z: 13 22.042 2.030 0.540 0.880 0.917 0.667 CB 1.609 13 residues pruned to eliminate duplicates Z: 14 24.718 1.870 0.973 0.811 1.000 0.538 CA 1.417 14 residues pruned to eliminate duplicates Z: 9 20.421 2.120 0.739 0.854 1.000 0.875 CA 1.446 9 residues pruned to eliminate duplicates Z: 10 11.814 1.562 0.899 0.822 1.000 0.889 CA 1.004 10 residues pruned to eliminate duplicates Z: 29 59.243 2.212 1.144 0.943 1.000 0.714 CB 1.636 29 residues pruned to eliminate duplicates Z: 53 23.706 2.089 0.523 0.449 0.827 0.404 CB 1.316 53 residues pruned to eliminate duplicates Z: 16 20.110 1.800 0.340 0.930 1.000 0.933 CB 1.506 16 residues pruned to eliminate duplicates Z: 22 26.922 2.007 0.490 0.883 0.952 0.905 CB 1.492 22 residues pruned to eliminate duplicates Z: 9 14.421 1.978 0.485 0.896 1.000 1.000 CB 1.244 9 residues pruned to eliminate duplicates Z: 59 33.257 2.230 0.604 0.481 0.879 0.552 CB 1.416 59 residues pruned to eliminate duplicates Z: 8 10.087 1.633 0.945 0.775 0.857 0.571 N 1.098 8 residues pruned to eliminate duplicates Z: 16 28.828 2.021 0.862 0.924 1.000 0.867 CB 1.389 16 residues pruned to eliminate duplicates Z: 9 16.470 2.002 0.623 0.776 1.000 0.750 CB 1.404 9 residues pruned to eliminate duplicates Z: 15 22.473 1.928 0.414 0.916 1.000 0.857 CB 1.557 16 residues pruned to eliminate duplicates Z: 15 24.590 2.010 0.404 0.931 1.000 0.857 CB 1.627 14 residues pruned to eliminate duplicates Z: 10 12.769 2.083 0.847 0.403 0.778 0.556 CA 1.576 10 residues pruned to eliminate duplicates Z: 30 57.086 2.306 1.028 0.934 1.000 0.586 CB 1.581 30 residues pruned to eliminate duplicates Z: 12 35.602 2.195 1.312 0.847 1.000 0.455 CB 1.570 12 residues pruned to eliminate duplicates Z: 17 23.090 1.972 0.678 0.725 0.938 0.562 CB 1.518 17 residues pruned to eliminate duplicates Z: 12 12.640 1.727 0.531 0.696 0.909 0.727 CA 1.325 10 residues pruned to eliminate duplicates Z: 9 17.590 1.866 0.667 0.852 1.000 0.625 CB 1.479 9 residues pruned to eliminate duplicates Z: 13 13.830 1.867 0.244 0.862 0.917 0.750 CB 1.376 13 residues pruned to eliminate duplicates Z: 29 37.875 1.969 0.865 0.930 0.929 0.536 CB 1.468 29 residues pruned to eliminate duplicates Z: 14 11.867 1.785 0.387 0.526 0.923 0.538 CB 1.403 Z: 31 56.309 2.251 0.952 0.933 1.000 0.900 CB 1.633 31 residues pruned to eliminate duplicates Z: 6 3.395 1.978 0.369 0.340 0.600 0.400 CB 1.112 6 residues pruned to eliminate duplicates Z: 14 16.940 1.849 0.657 0.810 0.923 0.769 CB 1.267 14 residues pruned to eliminate duplicates Z: 23 21.825 1.844 0.391 0.908 1.000 0.909 CB 1.289 Z: 10 9.801 1.819 0.456 0.802 0.778 0.778 CB 1.218 10 residues pruned to eliminate duplicates Z: 14 16.533 1.845 0.347 0.881 1.000 0.923 CB 1.336 14 residues pruned to eliminate duplicates Z: 12 5.233 2.038 0.164 0.163 0.727 0.364 CB 1.380 12 residues pruned to eliminate duplicates Z: 16 21.654 2.035 0.269 0.908 1.000 1.000 CA 1.538 16 residues pruned to eliminate duplicates Z: 9 7.847 1.808 -0.016 0.676 1.000 1.000 CB 1.326 9 residues pruned to eliminate duplicates Z: 13 6.262 1.475 0.159 0.532 0.917 0.583 CB 1.117 13 residues pruned to eliminate duplicates Z: 12 12.732 1.753 0.574 0.864 0.909 0.636 CB 1.122 Z: 16 30.005 2.021 0.875 0.868 1.000 0.733 CB 1.495 16 residues pruned to eliminate duplicates Z: 24 28.323 1.915 0.438 0.887 1.000 0.826 CA 1.546 24 residues pruned to eliminate duplicates Z: 15 23.380 1.990 0.510 0.911 0.929 0.714 CB 1.587 15 residues pruned to eliminate duplicates Z: 17 21.328 2.027 0.438 0.865 1.000 0.875 CA 1.340 17 residues pruned to eliminate duplicates Z: 31 31.719 1.893 0.428 0.922 1.000 0.900 CA 1.507 29 residues pruned to eliminate duplicates Z: 15 21.588 2.017 0.283 0.902 1.000 0.929 CB 1.590 15 residues pruned to eliminate duplicates Z: 12 25.921 2.157 0.808 0.825 1.000 0.636 CB 1.513 12 residues pruned to eliminate duplicates Z: 17 27.343 2.034 0.584 0.902 1.000 0.938 CA 1.513 17 residues pruned to eliminate duplicates Z: 16 25.423 2.045 0.796 0.861 0.867 0.667 CA 1.516 16 residues pruned to eliminate duplicates Z: 23 25.588 2.002 0.381 0.914 0.909 0.818 CA 1.535 23 residues pruned to eliminate duplicates Z: 7 12.509 2.238 0.425 0.797 0.833 0.833 CA 1.482 7 residues pruned to eliminate duplicates Z: 7 3.537 1.718 0.217 0.325 0.667 0.667 N 1.255 7 residues pruned to eliminate duplicates Z: 22 22.340 1.863 0.743 0.924 0.952 0.667 CB 1.107 23 residues pruned to eliminate duplicates Z: 89 65.789 2.264 0.831 0.580 0.943 0.636 CB 1.660 89 residues pruned to eliminate duplicates Z: 25 28.962 1.960 0.594 0.870 0.958 0.583 CB 1.441 25 residues pruned to eliminate duplicates Z: 12 19.790 1.985 0.407 0.890 0.909 0.818 CA 1.691 Z: 9 15.317 1.941 0.468 0.864 1.000 0.750 CB 1.394 10 residues pruned to eliminate duplicates Z: 12 32.485 2.179 1.419 0.930 1.000 0.818 CB 1.299 12 residues pruned to eliminate duplicates Z: 13 20.885 1.935 0.572 0.887 0.917 0.750 CA 1.559 13 residues pruned to eliminate duplicates Z: 29 26.554 2.083 0.503 0.600 0.964 0.643 CB 1.512 29 residues pruned to eliminate duplicates Z: 8 16.444 1.989 0.996 0.880 0.857 0.571 CB 1.323 8 residues pruned to eliminate duplicates Z: 27 25.501 2.116 0.617 0.616 0.885 0.423 CB 1.480 27 residues pruned to eliminate duplicates Z: 28 17.904 1.963 0.543 0.512 0.815 0.481 CB 1.381 27 residues pruned to eliminate duplicates Z: 7 10.362 1.792 0.543 0.821 0.833 0.833 CB 1.389 Z: 22 26.379 2.049 0.348 0.910 0.952 0.857 CB 1.552 22 residues pruned to eliminate duplicates Z: 29 45.873 2.209 0.811 0.923 0.964 0.857 CA 1.579 29 residues pruned to eliminate duplicates Z: 17 26.117 2.027 0.628 0.872 0.938 0.875 CA 1.539 17 residues pruned to eliminate duplicates Z: 15 14.087 1.940 0.661 0.703 0.857 0.571 CB 1.133 15 residues pruned to eliminate duplicates Z: 23 23.144 1.828 0.541 0.924 1.000 0.864 CB 1.230 23 residues pruned to eliminate duplicates Z: 45 55.908 2.342 0.935 0.738 0.932 0.727 CB 1.612 45 residues pruned to eliminate duplicates Z: 11 18.008 1.999 0.466 0.886 1.000 0.900 CB 1.402 11 residues pruned to eliminate duplicates Z: 41 35.094 1.971 0.747 0.723 0.875 0.600 CB 1.506 23 residues pruned to eliminate duplicates Z: 28 48.093 2.079 1.111 0.927 0.963 0.667 CB 1.535 28 residues pruned to eliminate duplicates Z: 8 15.681 1.897 0.920 0.786 1.000 0.714 CA 1.266 9 residues pruned to eliminate duplicates Z: 35 22.918 1.989 0.571 0.604 0.882 0.529 CB 1.291 35 residues pruned to eliminate duplicates Z: 11 27.111 2.029 1.005 0.942 1.000 0.900 CB 1.461 11 residues pruned to eliminate duplicates Z: 16 23.946 2.035 0.402 0.873 1.000 0.933 CA 1.579 16 residues pruned to eliminate duplicates Z: 10 15.956 1.924 0.557 0.889 1.000 0.889 CB 1.279 10 residues pruned to eliminate duplicates Z: 13 14.973 1.688 0.625 0.933 0.917 0.667 CB 1.199 Z: 22 28.719 1.977 0.533 0.907 0.952 0.762 CB 1.543 22 residues pruned to eliminate duplicates Z: 10 13.119 1.967 0.640 0.445 1.000 0.778 CB 1.435 10 residues pruned to eliminate duplicates Z: 11 8.453 1.617 0.159 0.859 1.000 0.700 CB 1.050 Z: 8 21.296 2.073 0.746 0.871 1.000 0.429 CB 1.623 8 residues pruned to eliminate duplicates Z: 28 43.875 2.002 0.914 0.926 1.000 0.667 CB 1.545 30 residues pruned to eliminate duplicates Z: 22 32.714 2.004 0.678 0.920 1.000 0.619 CB 1.495 22 residues pruned to eliminate duplicates Z: 9 7.578 2.087 0.540 0.323 0.750 0.500 CB 1.350 9 residues pruned to eliminate duplicates Z: 10 19.303 1.926 0.740 0.876 1.000 0.556 CB 1.395 10 residues pruned to eliminate duplicates Z: 8 11.007 1.738 0.241 0.851 1.000 0.857 O 1.427 15 residues pruned to eliminate duplicates Z: 23 14.691 2.024 0.555 0.403 0.727 0.545 CB 1.515 23 residues pruned to eliminate duplicates Z: 24 22.164 1.989 0.497 0.648 0.870 0.478 CB 1.554 24 residues pruned to eliminate duplicates Z: 10 9.724 2.075 0.176 0.460 1.000 0.667 CB 1.384 12 residues pruned to eliminate duplicates Z: 15 24.479 1.899 0.605 0.891 1.000 0.786 CB 1.543 15 residues pruned to eliminate duplicates Z: 13 22.858 1.915 0.962 0.869 0.917 0.500 CA 1.399 13 residues pruned to eliminate duplicates Z: 50 28.691 2.022 0.605 0.543 0.959 0.653 CB 1.262 50 residues pruned to eliminate duplicates Z: 29 53.143 2.198 0.967 0.939 1.000 0.607 CB 1.614 29 residues pruned to eliminate duplicates Z: 15 20.964 1.952 0.625 0.881 0.929 0.571 CB 1.378 15 residues pruned to eliminate duplicates Z: 14 22.549 2.077 0.633 0.790 0.923 0.692 CB 1.548 14 residues pruned to eliminate duplicates Z: 18 33.199 2.095 0.786 0.829 1.000 0.882 CB 1.620 16 residues pruned to eliminate duplicates Z: 8 3.864 1.496 0.773 0.368 0.714 0.714 CB 0.888 Z: 8 16.110 2.015 0.654 0.794 1.000 0.571 CB 1.412 8 residues pruned to eliminate duplicates Z: 20 27.678 2.267 1.011 0.541 0.895 0.526 CB 1.495 26 residues pruned to eliminate duplicates Z: 12 16.132 1.926 0.302 0.857 1.000 0.727 CB 1.430 13 residues pruned to eliminate duplicates Z: 12 24.602 1.972 0.668 0.926 1.000 1.000 CA 1.582 12 residues pruned to eliminate duplicates Z: 28 32.310 1.973 0.714 0.933 1.000 1.000 CA 1.283 28 residues pruned to eliminate duplicates Z: 20 20.389 1.683 0.497 0.928 1.000 0.789 CB 1.300 13 residues pruned to eliminate duplicates Z: 12 31.755 2.216 0.762 0.920 1.000 1.000 CA 1.727 12 residues pruned to eliminate duplicates Z: 17 20.696 1.972 0.443 0.795 1.000 0.625 CA 1.404 17 residues pruned to eliminate duplicates Z: 13 26.484 2.086 0.620 0.913 1.000 0.750 CA 1.601 13 residues pruned to eliminate duplicates Z: 18 31.425 1.846 0.849 0.898 1.000 0.765 CA 1.597 18 residues pruned to eliminate duplicates Z: 26 22.325 2.016 0.514 0.689 0.880 0.640 CB 1.399 26 residues pruned to eliminate duplicates Z: 11 17.455 2.020 0.591 0.853 0.900 0.800 CB 1.411 13 residues pruned to eliminate duplicates Z: 26 37.980 2.019 0.641 0.929 1.000 0.920 CA 1.603 26 residues pruned to eliminate duplicates Z: 17 17.015 1.595 0.573 0.899 1.000 0.812 CB 1.212 17 residues pruned to eliminate duplicates Z: 6 2.527 1.455 0.870 0.298 0.600 0.400 CB 0.867 Z: 48 55.976 2.252 0.737 0.791 0.936 0.830 CB 1.728 52 residues pruned to eliminate duplicates Z: 15 23.269 1.992 0.540 0.867 0.929 0.786 CA 1.597 15 residues pruned to eliminate duplicates Z: 13 21.624 2.024 0.587 0.898 0.917 0.833 CB 1.517 13 residues pruned to eliminate duplicates Z: 7 13.390 2.016 0.630 0.798 1.000 1.000 CA 1.282 19 residues pruned to eliminate duplicates Z: 28 24.777 1.989 0.471 0.708 0.926 0.852 CB 1.458 19 residues pruned to eliminate duplicates Z: 18 11.360 1.766 0.377 0.443 0.941 0.471 CB 1.276 13 residues pruned to eliminate duplicates Z: 8 7.996 1.715 0.460 0.582 0.857 0.571 CB 1.302 4 residues pruned to eliminate duplicates Z: 32 22.006 1.869 0.584 0.577 0.903 0.677 CB 1.373 23 residues pruned to eliminate duplicates Z: 23 19.644 1.792 0.454 0.905 0.955 0.909 CB 1.198 22 residues pruned to eliminate duplicates Z: 32 51.930 2.047 1.219 0.929 0.968 0.387 CB 1.484 32 residues pruned to eliminate duplicates Z: 22 16.739 1.834 0.368 0.889 0.952 0.810 CB 1.100 22 residues pruned to eliminate duplicates Z: 24 36.948 2.034 0.958 0.919 0.870 0.696 CB 1.567 24 residues pruned to eliminate duplicates Z: 25 28.625 1.967 0.642 0.852 0.917 0.667 CB 1.460 25 residues pruned to eliminate duplicates Z: 23 23.458 1.843 0.527 0.939 1.000 0.909 CB 1.235 23 residues pruned to eliminate duplicates Z: 10 7.764 1.877 0.400 0.492 0.778 0.444 CB 1.276 10 residues pruned to eliminate duplicates Z: 10 14.466 1.881 0.881 0.886 0.778 0.667 CB 1.264 10 residues pruned to eliminate duplicates Z: 38 31.698 1.991 0.672 0.685 0.946 0.486 CB 1.397 39 residues pruned to eliminate duplicates Z: 23 32.893 2.005 0.832 0.928 1.000 0.682 CB 1.337 23 residues pruned to eliminate duplicates Z: 21 28.457 2.185 1.083 0.556 0.950 0.350 CB 1.393 21 residues pruned to eliminate duplicates Z: 17 24.490 2.041 0.530 0.896 0.938 0.812 CA 1.498 17 residues pruned to eliminate duplicates Z: 9 29.356 2.037 1.098 0.905 1.000 0.875 CB 1.728 Z: 25 33.450 2.019 0.534 0.910 1.000 0.833 CA 1.564 25 residues pruned to eliminate duplicates Z: 8 12.631 2.063 0.293 0.835 1.000 0.571 CB 1.340 8 residues pruned to eliminate duplicates Z: 49 50.630 2.149 0.788 0.770 0.958 0.854 CA 1.563 54 residues pruned to eliminate duplicates Z: 8 15.008 2.245 0.344 0.811 0.857 0.857 CA 1.673 8 residues pruned to eliminate duplicates Z: 28 21.209 1.996 0.707 0.533 0.889 0.593 CB 1.304 28 residues pruned to eliminate duplicates Z: 8 6.938 1.801 0.551 0.822 1.000 0.857 CB 0.710 8 residues pruned to eliminate duplicates Z: 17 32.007 1.880 1.234 0.935 0.938 0.562 CA 1.416 17 residues pruned to eliminate duplicates Z: 7 5.725 1.648 0.480 0.471 0.833 0.667 N 1.185 Z: 11 10.922 1.721 0.588 0.640 0.900 0.700 N 1.232 Z: 10 12.082 1.934 0.252 0.850 1.000 0.889 CA 1.232 10 residues pruned to eliminate duplicates Z: 15 32.995 2.346 0.808 0.770 0.929 0.571 CB 1.763 15 residues pruned to eliminate duplicates Z: 11 15.142 1.774 0.461 0.889 1.000 0.900 CB 1.330 10 residues pruned to eliminate duplicates Z: 16 17.917 1.793 0.529 0.822 0.867 0.667 CB 1.473 16 residues pruned to eliminate duplicates Z: 15 24.466 1.929 0.537 0.925 1.000 0.929 CB 1.549 15 residues pruned to eliminate duplicates Z: 23 28.973 1.976 0.576 0.869 0.955 0.727 CB 1.518 23 residues pruned to eliminate duplicates Z: 13 5.083 1.597 0.122 0.486 0.917 0.583 CB 0.906 Z: 8 13.863 2.090 0.904 0.513 0.857 0.429 CB 1.517 8 residues pruned to eliminate duplicates Z: 8 7.429 1.701 0.413 0.559 0.857 0.571 CB 1.287 Z: 17 24.871 1.944 0.762 0.839 0.938 0.750 CA 1.446 17 residues pruned to eliminate duplicates Z: 13 17.171 1.874 0.387 0.874 1.000 0.750 CB 1.388 13 residues pruned to eliminate duplicates Z: 29 46.042 2.020 1.061 0.944 1.000 0.786 CB 1.448 29 residues pruned to eliminate duplicates Z: 28 24.313 1.908 0.266 0.892 0.926 0.815 CA 1.503 28 residues pruned to eliminate duplicates Z: 16 26.554 2.076 0.937 0.704 0.933 0.467 CB 1.517 16 residues pruned to eliminate duplicates Z: 22 17.124 2.093 0.662 0.452 0.857 0.571 CB 1.316 15 residues pruned to eliminate duplicates Z: 15 10.243 1.726 0.329 0.552 0.857 0.643 CB 1.325 18 residues pruned to eliminate duplicates Z: 7 13.564 2.104 0.442 0.815 1.000 0.667 CA 1.388 7 residues pruned to eliminate duplicates Z: 12 23.414 2.008 0.885 0.890 0.909 0.545 CB 1.477 Z: 30 53.930 2.168 1.143 0.918 0.966 0.448 CB 1.574 30 residues pruned to eliminate duplicates Z: 13 25.111 2.122 0.728 0.892 1.000 0.750 CB 1.420 13 residues pruned to eliminate duplicates Z: 12 16.526 2.077 -0.027 0.924 1.000 1.000 CA 1.732 12 residues pruned to eliminate duplicates Z: 12 18.255 1.875 0.404 0.903 1.000 0.909 CB 1.491 12 residues pruned to eliminate duplicates Z: 14 13.948 1.671 0.389 0.928 1.000 0.923 CB 1.167 14 residues pruned to eliminate duplicates Z: 12 7.957 1.865 0.389 0.571 0.909 0.818 CB 0.951 12 residues pruned to eliminate duplicates Z: 7 8.861 1.792 0.503 0.646 1.000 0.833 CB 1.172 7 residues pruned to eliminate duplicates Z: 15 21.700 1.984 0.891 0.850 0.786 0.429 CB 1.457 15 residues pruned to eliminate duplicates Z: 119 70.584 2.205 0.844 0.619 0.915 0.669 CB 1.560 117 residues pruned to eliminate duplicates Z: 52 30.406 1.953 0.704 0.560 0.922 0.627 CB 1.311 52 residues pruned to eliminate duplicates Z: 10 7.891 1.826 0.181 0.546 1.000 0.778 CB 1.166 9 residues pruned to eliminate duplicates Z: 6 2.198 1.450 0.784 0.692 0.800 0.600 CA 0.398 6 residues pruned to eliminate duplicates Z: 13 30.519 2.171 1.157 0.876 0.833 0.667 CA 1.641 13 residues pruned to eliminate duplicates Z: 9 16.371 2.042 0.845 0.859 0.875 0.750 CB 1.292 9 residues pruned to eliminate duplicates Z: 11 13.623 1.788 0.598 0.911 1.000 0.700 CB 1.069 12 residues pruned to eliminate duplicates Z: 6 2.391 1.750 -0.175 0.621 0.800 0.800 CB 0.827 Z: 21 16.846 2.046 0.279 0.618 0.850 0.300 CB 1.515 15 residues pruned to eliminate duplicates Z: 23 16.218 1.931 0.653 0.451 0.818 0.364 CB 1.392 23 residues pruned to eliminate duplicates Z: 17 27.459 1.968 0.677 0.899 1.000 0.938 CA 1.486 17 residues pruned to eliminate duplicates Z: 18 9.335 1.737 0.428 0.443 0.824 0.588 CB 1.175 15 residues pruned to eliminate duplicates Z: 9 10.611 1.704 0.565 0.830 0.875 0.750 CB 1.209 9 residues pruned to eliminate duplicates Z: 63 28.387 2.000 0.559 0.534 0.887 0.613 CB 1.260 63 residues pruned to eliminate duplicates Z: 8 23.727 2.167 1.077 0.866 1.000 0.714 CB 1.459 8 residues pruned to eliminate duplicates Z: 14 24.378 1.920 0.564 0.908 1.000 0.769 CB 1.599 14 residues pruned to eliminate duplicates Z: 11 15.117 1.919 0.436 0.868 1.000 0.700 CB 1.267 11 residues pruned to eliminate duplicates Z: 10 4.572 1.557 0.237 0.410 0.778 0.556 N 1.118 Z: 24 15.007 1.868 0.596 0.394 0.826 0.522 CB 1.421 24 residues pruned to eliminate duplicates Z: 22 29.843 2.019 0.577 0.922 0.952 0.762 CB 1.510 22 residues pruned to eliminate duplicates Z: 6 8.912 1.681 0.727 0.792 1.000 0.600 CB 1.062 6 residues pruned to eliminate duplicates Z: 9 11.521 1.724 0.354 0.881 1.000 1.000 CB 1.264 9 residues pruned to eliminate duplicates Z: 17 14.162 1.803 0.507 0.588 0.938 0.625 CB 1.277 10 residues pruned to eliminate duplicates Z: 27 39.823 2.033 0.862 0.920 1.000 0.769 CB 1.454 27 residues pruned to eliminate duplicates Z: 45 50.104 2.147 0.949 0.763 0.909 0.773 CA 1.572 45 residues pruned to eliminate duplicates Z: 9 12.756 1.835 0.230 0.886 1.000 0.875 CA 1.442 9 residues pruned to eliminate duplicates Z: 28 20.622 1.867 0.858 0.625 0.926 0.481 CB 1.098 28 residues pruned to eliminate duplicates Z: 27 30.907 1.952 0.427 0.890 1.000 0.731 CB 1.566 27 residues pruned to eliminate duplicates Z: 86 48.709 2.139 0.761 0.560 0.882 0.624 CB 1.500 99 residues pruned to eliminate duplicates Z: 22 27.837 2.037 0.458 0.900 0.952 0.857 CB 1.533 22 residues pruned to eliminate duplicates Z: 30 56.770 2.274 0.987 0.948 1.000 0.655 CB 1.611 30 residues pruned to eliminate duplicates Z: 13 26.793 2.168 0.478 0.904 1.000 0.750 CB 1.719 13 residues pruned to eliminate duplicates Z: 47 36.956 2.135 0.730 0.539 0.935 0.587 CB 1.519 47 residues pruned to eliminate duplicates Z: 32 48.622 2.193 0.933 0.935 0.935 0.516 CB 1.534 32 residues pruned to eliminate duplicates Z: 23 17.482 1.921 0.529 0.603 0.864 0.364 CB 1.333 23 residues pruned to eliminate duplicates Z: 30 41.080 2.082 0.768 0.906 1.000 0.759 CA 1.474 30 residues pruned to eliminate duplicates Z: 27 40.581 2.007 1.103 0.872 0.923 0.615 CB 1.488 27 residues pruned to eliminate duplicates Z: 24 16.372 1.776 0.205 0.920 1.000 0.870 CB 1.123 24 residues pruned to eliminate duplicates Z: 31 41.442 1.994 1.186 0.881 0.900 0.567 CB 1.396 30 residues pruned to eliminate duplicates Z: 38 29.809 2.025 0.581 0.723 0.892 0.541 CB 1.403 38 residues pruned to eliminate duplicates Z: 11 21.325 1.913 0.655 0.903 1.000 0.800 CB 1.519 11 residues pruned to eliminate duplicates Z: 43 26.632 1.906 0.748 0.514 0.857 0.548 CB 1.419 66 residues pruned to eliminate duplicates Z: 12 15.652 1.909 0.284 0.902 1.000 0.727 CB 1.374 12 residues pruned to eliminate duplicates Z: 13 20.292 1.890 0.619 0.931 1.000 0.917 CB 1.338 13 residues pruned to eliminate duplicates Z: 22 31.056 2.053 0.479 0.903 1.000 0.857 CA 1.592 22 residues pruned to eliminate duplicates Z: 10 5.345 1.545 0.239 0.506 0.889 0.556 N 1.041 10 residues pruned to eliminate duplicates Z: 10 13.050 1.974 0.381 0.871 1.000 0.778 CB 1.164 10 residues pruned to eliminate duplicates Z: 33 25.743 1.968 0.633 0.620 0.938 0.594 CB 1.349 33 residues pruned to eliminate duplicates Z: 31 34.487 1.897 0.517 0.917 1.000 0.800 CA 1.544 29 residues pruned to eliminate duplicates Z: 10 4.745 1.535 0.049 0.859 1.000 0.556 CB 0.722 10 residues pruned to eliminate duplicates Z: 9 20.208 1.854 0.957 0.836 1.000 0.500 CA 1.474 8 residues pruned to eliminate duplicates Z: 17 16.596 1.621 0.424 0.865 1.000 0.812 CB 1.317 17 residues pruned to eliminate duplicates Z: 16 22.397 1.861 0.544 0.882 1.000 0.733 CA 1.456 16 residues pruned to eliminate duplicates Z: 10 13.872 1.631 0.751 0.752 1.000 0.778 CA 1.293 11 residues pruned to eliminate duplicates Z: 6 2.361 1.607 0.032 0.493 0.600 0.400 CB 1.069 Z: 19 31.053 1.983 1.193 0.922 0.778 0.444 CA 1.521 19 residues pruned to eliminate duplicates Z: 23 24.391 1.982 0.566 0.915 0.864 0.636 CB 1.371 23 residues pruned to eliminate duplicates Z: 8 7.129 1.563 0.207 0.846 0.857 0.714 N 1.238 Z: 29 35.883 1.979 0.658 0.913 0.964 0.857 CB 1.517 29 residues pruned to eliminate duplicates Z: 10 3.994 1.824 0.508 0.547 0.778 0.778 CB 0.594 Z: 7 6.709 1.782 0.075 0.821 1.000 1.000 CB 1.082 Z: 30 52.053 2.096 1.179 0.936 1.000 0.414 CB 1.474 30 residues pruned to eliminate duplicates Z: 16 16.046 2.179 0.356 0.501 0.933 0.533 CB 1.499 11 residues pruned to eliminate duplicates Z: 21 20.615 1.870 0.563 0.705 0.950 0.700 CB 1.378 21 residues pruned to eliminate duplicates Z: 6 7.833 1.669 0.787 0.628 0.800 0.800 CB 1.301 Z: 26 52.005 2.200 1.239 0.886 0.920 0.680 CB 1.657 26 residues pruned to eliminate duplicates Z: 7 12.258 1.799 0.466 0.865 1.000 0.833 CB 1.390 7 residues pruned to eliminate duplicates Z: 19 6.928 1.615 0.295 0.333 0.833 0.389 CB 1.124 10 residues pruned to eliminate duplicates Z: 36 34.459 2.028 0.749 0.732 0.914 0.600 CB 1.458 39 residues pruned to eliminate duplicates Z: 11 23.071 2.012 1.007 0.925 1.000 0.500 CB 1.267 11 residues pruned to eliminate duplicates Z: 12 12.253 1.763 0.327 0.897 1.000 0.818 CB 1.131 12 residues pruned to eliminate duplicates Z: 8 12.839 1.774 0.370 0.819 1.000 0.714 O 1.514 9 residues pruned to eliminate duplicates Z: 7 11.120 1.884 0.845 0.674 1.000 0.500 CB 1.112 Z: 39 24.150 1.795 0.673 0.715 0.921 0.526 CB 1.166 23 residues pruned to eliminate duplicates Z: 6 9.606 2.107 0.136 0.814 1.000 0.800 CA 1.366 6 residues pruned to eliminate duplicates Z: 12 13.312 1.787 0.397 0.858 0.909 0.818 CB 1.303 12 residues pruned to eliminate duplicates Z: 8 6.739 1.741 0.324 0.721 0.857 0.714 CB 1.056 8 residues pruned to eliminate duplicates Z: 7 6.156 2.065 0.064 0.472 0.833 0.500 CB 1.412 7 residues pruned to eliminate duplicates Z: 18 11.138 1.923 0.377 0.537 0.882 0.706 CB 1.116 18 residues pruned to eliminate duplicates Z: 13 10.201 1.718 0.191 0.875 1.000 0.667 CB 1.046 13 residues pruned to eliminate duplicates Z: 6 6.604 1.933 0.605 0.613 0.800 0.800 CB 1.070 Z: 10 12.053 1.918 0.856 0.417 0.889 0.667 CB 1.386 Z: 13 22.392 1.974 0.614 0.924 0.917 0.833 CB 1.554 13 residues pruned to eliminate duplicates Z: 6 3.883 1.935 -0.010 0.486 1.000 0.800 CB 0.920 Z: 29 39.558 1.964 0.788 0.946 1.000 0.607 CB 1.473 29 residues pruned to eliminate duplicates Z: 46 29.847 2.194 0.637 0.413 0.911 0.600 CB 1.490 46 residues pruned to eliminate duplicates Z: 25 25.994 1.843 0.445 0.907 0.958 0.875 CB 1.478 25 residues pruned to eliminate duplicates Z: 8 10.309 1.733 0.333 0.905 1.000 1.000 CB 1.201 8 residues pruned to eliminate duplicates Z: 7 9.970 1.699 0.485 0.845 1.000 1.000 CB 1.200 7 residues pruned to eliminate duplicates Z: 32 31.217 2.106 0.697 0.654 0.871 0.710 CA 1.561 32 residues pruned to eliminate duplicates Z: 15 25.455 2.001 0.599 0.902 1.000 1.000 CA 1.517 15 residues pruned to eliminate duplicates Z: 28 26.157 2.085 0.638 0.615 0.889 0.444 CB 1.487 28 residues pruned to eliminate duplicates Z: 94 64.025 2.265 0.789 0.579 0.935 0.688 CB 1.624 94 residues pruned to eliminate duplicates Z: 14 34.651 2.190 0.997 0.920 0.923 0.769 CB 1.676 14 residues pruned to eliminate duplicates Z: 14 29.148 2.078 0.937 0.900 1.000 0.615 CB 1.435 14 residues pruned to eliminate duplicates Z: 12 25.368 2.077 0.539 0.903 1.000 0.909 CB 1.705 12 residues pruned to eliminate duplicates Z: 6 2.062 1.472 0.360 0.271 0.800 0.800 CB 0.746 Z: 8 9.248 1.842 0.315 0.549 1.000 0.714 CB 1.376 Z: 16 12.175 1.663 0.314 0.881 0.933 0.733 CB 1.117 11 residues pruned to eliminate duplicates Z: 6 8.088 1.936 0.706 0.429 0.800 0.800 CB 1.473 6 residues pruned to eliminate duplicates Z: 15 20.505 1.877 0.404 0.905 0.929 0.857 CB 1.594 15 residues pruned to eliminate duplicates Z: 11 8.705 1.822 0.555 0.404 0.900 0.700 CB 1.194 12 residues pruned to eliminate duplicates Z: 6 2.684 1.856 0.231 0.604 0.800 0.800 CB 0.595 Z: 40 17.735 1.946 0.339 0.482 0.872 0.462 CB 1.273 40 residues pruned to eliminate duplicates Z: 9 4.389 1.730 0.233 0.627 0.875 0.625 CB 0.738 Z: 14 19.107 1.994 0.305 0.891 1.000 0.846 CB 1.464 14 residues pruned to eliminate duplicates Z: 9 3.728 1.448 0.410 0.789 1.000 0.500 CB 0.501 9 residues pruned to eliminate duplicates Z: 8 8.078 1.532 0.457 0.804 0.857 0.571 CA 1.223 8 residues pruned to eliminate duplicates Z: 16 26.506 2.057 0.568 0.885 1.000 0.667 CA 1.532 16 residues pruned to eliminate duplicates Z: 15 21.281 2.030 0.328 0.869 1.000 0.929 CB 1.542 15 residues pruned to eliminate duplicates Z: 6 3.880 1.694 0.259 0.432 0.800 0.400 CB 1.091 Z: 55 22.929 1.751 0.546 0.632 0.870 0.519 CB 1.171 56 residues pruned to eliminate duplicates Z: 69 38.595 2.026 0.586 0.665 0.882 0.588 CB 1.417 66 residues pruned to eliminate duplicates Z: 23 22.100 1.855 0.500 0.927 1.000 0.909 CB 1.187 23 residues pruned to eliminate duplicates Z: 32 17.676 1.927 0.450 0.474 0.839 0.548 CB 1.392 30 residues pruned to eliminate duplicates Z: 24 22.869 2.124 0.643 0.538 0.870 0.478 CB 1.514 24 residues pruned to eliminate duplicates Z: 30 47.016 2.265 0.769 0.933 1.000 0.621 CB 1.521 30 residues pruned to eliminate duplicates Z: 13 6.858 1.798 0.201 0.399 0.750 0.500 CB 1.360 13 residues pruned to eliminate duplicates Z: 14 13.232 1.858 0.621 0.759 0.769 0.615 CB 1.258 8 residues pruned to eliminate duplicates Z: 20 26.765 2.070 0.844 0.897 0.842 0.526 CA 1.367 20 residues pruned to eliminate duplicates Z: 15 25.905 1.936 0.640 0.915 1.000 0.929 CB 1.541 15 residues pruned to eliminate duplicates Z: 11 7.868 1.955 0.608 0.576 0.900 0.500 CB 0.817 Z: 10 10.025 1.844 0.736 0.539 0.778 0.667 CA 1.291 10 residues pruned to eliminate duplicates Z: 17 6.889 1.853 0.359 0.273 0.688 0.438 CB 1.287 17 residues pruned to eliminate duplicates Z: 14 27.795 2.052 0.808 0.876 0.923 0.615 CB 1.636 14 residues pruned to eliminate duplicates Z: 10 5.498 1.639 0.704 0.399 0.778 0.444 CB 0.938 10 residues pruned to eliminate duplicates Z: 7 5.753 1.570 0.301 0.559 0.833 0.500 O 1.303 Z: 70 39.148 2.006 0.601 0.643 0.942 0.478 CB 1.363 70 residues pruned to eliminate duplicates Z: 22 28.663 1.990 0.678 0.894 1.000 0.571 CB 1.344 22 residues pruned to eliminate duplicates Z: 18 17.087 2.149 0.506 0.402 0.941 0.471 CB 1.509 18 residues pruned to eliminate duplicates Z: 7 7.959 1.868 0.346 0.826 1.000 0.500 CB 0.975 7 residues pruned to eliminate duplicates Z: 44 23.380 2.020 0.407 0.526 0.860 0.628 CB 1.422 37 residues pruned to eliminate duplicates Z: 19 33.629 2.250 1.031 0.707 0.833 0.667 CA 1.725 19 residues pruned to eliminate duplicates Z: 25 19.324 1.785 0.485 0.897 0.875 0.833 CB 1.216 25 residues pruned to eliminate duplicates Z: 7 4.317 1.546 0.263 0.624 0.833 0.500 N 0.963 7 residues pruned to eliminate duplicates Z: 7 7.457 1.875 0.311 0.859 1.000 0.833 CB 0.911 7 residues pruned to eliminate duplicates Z: 26 29.049 1.971 0.386 0.885 0.960 0.680 CB 1.599 26 residues pruned to eliminate duplicates Z: 16 9.623 1.698 0.389 0.432 0.800 0.600 N 1.412 13 residues pruned to eliminate duplicates Z: 17 14.099 1.675 0.412 0.835 0.938 0.812 CA 1.191 17 residues pruned to eliminate duplicates Z: 15 15.262 1.671 0.401 0.851 0.929 0.786 CA 1.389 15 residues pruned to eliminate duplicates Z: 8 21.208 2.127 1.159 0.896 1.000 0.857 CB 1.251 8 residues pruned to eliminate duplicates Z: 10 10.270 1.388 0.719 0.864 0.889 0.667 N 1.183 10 residues pruned to eliminate duplicates Z: 21 19.609 2.155 0.585 0.529 0.850 0.650 CB 1.468 21 residues pruned to eliminate duplicates Z: 7 3.549 1.522 0.629 0.502 0.667 0.333 N 0.874 6 1.953 1.492 0.106 0.633 0.800 0.800 CB 0.584 ? Z: 41 35.961 2.228 0.671 0.528 0.900 0.575 CB 1.650 41 residues pruned to eliminate duplicates Z: 108 67.925 2.193 0.868 0.615 0.944 0.701 CB 1.522 108 residues pruned to eliminate duplicates Z: 14 20.719 2.062 0.511 0.932 0.923 0.846 CB 1.396 14 residues pruned to eliminate duplicates Z: 9 10.421 1.859 0.867 0.350 1.000 0.625 CB 1.248 9 residues pruned to eliminate duplicates Z: 6 6.254 1.732 0.689 0.558 0.600 0.600 O 1.507 4 residues pruned to eliminate duplicates Z: 15 26.154 1.977 0.541 0.914 1.000 0.929 CB 1.622 16 residues pruned to eliminate duplicates Z: 12 6.026 1.717 0.051 0.778 1.000 0.727 CB 0.788 12 residues pruned to eliminate duplicates Z: 21 19.913 1.786 0.695 0.893 0.950 0.550 CB 1.112 21 residues pruned to eliminate duplicates Z: 6 3.219 1.519 0.741 0.636 0.800 0.600 CB 0.599 Z: 10 12.661 1.896 0.884 0.495 0.889 0.333 CA 1.336 10 residues pruned to eliminate duplicates Z: 13 14.042 1.848 0.418 0.860 1.000 0.417 CB 1.137 13 residues pruned to eliminate duplicates Z: 8 12.014 2.007 0.372 0.769 0.857 0.571 CB 1.517 8 residues pruned to eliminate duplicates Z: 17 17.833 2.002 0.603 0.867 0.812 0.625 CB 1.251 17 residues pruned to eliminate duplicates Z: 7 2.118 1.515 0.217 0.532 0.667 0.500 N 0.682 Z: 65 43.217 2.153 0.703 0.562 0.922 0.625 CA 1.505 65 residues pruned to eliminate duplicates Z: 30 31.927 1.925 0.823 0.874 0.966 0.759 CA 1.274 30 residues pruned to eliminate duplicates Z: 9 17.180 1.829 0.813 0.921 1.000 1.000 CA 1.289 9 residues pruned to eliminate duplicates Z: 35 26.181 2.095 0.683 0.546 0.912 0.412 CB 1.336 35 residues pruned to eliminate duplicates Z: 17 15.124 1.877 0.508 0.713 0.812 0.625 CB 1.356 17 residues pruned to eliminate duplicates Z: 28 11.502 1.772 0.470 0.375 0.852 0.407 CB 1.140 28 residues pruned to eliminate duplicates Z: 23 16.260 1.888 0.351 0.661 0.864 0.727 CB 1.355 29 residues pruned to eliminate duplicates Z: 11 19.543 1.849 0.819 0.821 1.000 0.600 CA 1.391 11 residues pruned to eliminate duplicates Z: 26 34.216 2.026 0.584 0.909 1.000 0.760 CB 1.513 26 residues pruned to eliminate duplicates Z: 13 9.458 1.790 0.151 0.862 0.917 0.833 CB 1.061 13 residues pruned to eliminate duplicates Z: 56 52.145 2.222 0.882 0.621 0.982 0.655 CA 1.527 56 residues pruned to eliminate duplicates Z: 27 32.939 2.058 0.679 0.928 0.885 0.615 CB 1.480 27 residues pruned to eliminate duplicates Z: 15 16.789 1.736 0.493 0.909 1.000 0.714 CA 1.229 15 residues pruned to eliminate duplicates Z: 10 20.952 1.891 1.092 0.885 1.000 0.556 CB 1.275 10 residues pruned to eliminate duplicates Z: 27 26.366 2.089 1.016 0.523 0.846 0.423 CA 1.418 27 residues pruned to eliminate duplicates Z: 12 10.305 1.748 0.366 0.798 0.909 0.727 CB 1.102 12 residues pruned to eliminate duplicates Z: 10 7.384 1.689 0.302 0.457 0.889 0.556 CA 1.317 Z: 23 14.774 1.866 0.693 0.564 0.773 0.591 CB 1.213 23 residues pruned to eliminate duplicates Z: 6 4.266 1.762 0.171 0.560 0.600 0.600 O 1.454 Z: 8 5.237 1.530 0.381 0.422 0.857 0.286 CB 1.185 Z: 53 41.347 2.175 1.031 0.480 0.885 0.558 CB 1.498 53 residues pruned to eliminate duplicates Z: 17 8.795 1.631 0.356 0.644 0.938 0.625 CB 0.927 9 residues pruned to eliminate duplicates Z: 7 6.807 1.605 0.444 0.826 0.833 0.833 CB 1.085 7 residues pruned to eliminate duplicates Z: 11 19.018 1.709 0.860 0.775 1.000 0.700 CB 1.485 11 residues pruned to eliminate duplicates Z: 23 21.656 1.858 0.559 0.893 0.955 0.818 CB 1.198 23 residues pruned to eliminate duplicates Z: 8 5.193 1.535 0.160 0.824 0.857 0.571 N 0.971 8 residues pruned to eliminate duplicates Z: 7 13.941 1.977 0.314 0.788 1.000 0.833 CB 1.701 8 residues pruned to eliminate duplicates Z: 30 47.477 2.019 1.216 0.905 0.966 0.448 CB 1.452 30 residues pruned to eliminate duplicates Z: 11 4.503 1.410 0.668 0.195 0.700 0.300 C 1.245 Z: 6 7.091 1.823 0.016 0.758 1.000 0.600 CB 1.360 6 residues pruned to eliminate duplicates Z: 14 24.989 1.918 0.808 0.866 1.000 0.692 CB 1.464 14 residues pruned to eliminate duplicates Z: 15 25.324 2.140 0.348 0.919 1.000 0.857 CA 1.653 15 residues pruned to eliminate duplicates Z: 13 30.010 2.212 0.978 0.904 0.917 0.917 CB 1.539 13 residues pruned to eliminate duplicates Z: 12 8.963 1.639 0.415 0.861 0.818 0.364 CB 1.047 12 residues pruned to eliminate duplicates Z: 7 8.109 1.640 0.869 0.574 0.833 0.500 N 1.207 7 residues pruned to eliminate duplicates Z: 18 17.239 1.668 0.626 0.934 0.941 0.588 CB 1.143 18 residues pruned to eliminate duplicates Z: 22 20.875 1.849 0.624 0.862 0.905 0.619 CB 1.231 22 residues pruned to eliminate duplicates Z: 6 4.037 1.539 0.441 0.419 0.800 0.800 CB 1.107 Z: 24 27.594 1.963 0.632 0.889 0.870 0.565 CB 1.487 24 residues pruned to eliminate duplicates Z: 9 3.200 1.308 0.528 0.362 0.625 0.500 O 1.051 5 residues pruned to eliminate duplicates Z: 11 11.513 1.776 0.328 0.825 1.000 0.800 CB 1.165 11 residues pruned to eliminate duplicates Z: 8 10.962 1.998 0.813 0.510 0.857 0.714 CB 1.322 8 residues pruned to eliminate duplicates Z: 16 29.674 2.057 0.665 0.934 1.000 0.733 CA 1.560 16 residues pruned to eliminate duplicates Z: 40 23.305 2.033 0.479 0.559 0.872 0.590 CB 1.345 40 residues pruned to eliminate duplicates Z: 8 10.357 1.863 0.350 0.809 0.857 0.571 CB 1.387 8 residues pruned to eliminate duplicates Z: 14 11.045 1.751 0.529 0.504 0.846 0.462 CB 1.346 10 residues pruned to eliminate duplicates Z: 22 14.131 1.813 0.462 0.650 0.857 0.619 CB 1.180 22 residues pruned to eliminate duplicates Z: 10 27.060 2.169 0.745 0.912 1.000 0.556 CB 1.688 10 residues pruned to eliminate duplicates Z: 18 10.799 1.901 0.672 0.604 0.882 0.706 CB 0.846 22 residues pruned to eliminate duplicates Z: 48 33.136 1.994 0.570 0.740 0.894 0.617 CB 1.393 45 residues pruned to eliminate duplicates Z: 27 46.032 2.084 1.202 0.933 0.962 0.692 CB 1.428 27 residues pruned to eliminate duplicates Z: 16 29.065 1.909 0.833 0.894 1.000 0.933 CA 1.539 16 residues pruned to eliminate duplicates Z: 7 10.121 1.591 0.662 0.754 1.000 0.333 C 1.246 7 residues pruned to eliminate duplicates Z: 8 2.450 1.374 0.079 0.596 0.714 0.429 CB 0.798 Z: 20 24.271 1.965 0.637 0.785 0.947 0.684 CB 1.422 20 residues pruned to eliminate duplicates Z: 7 6.314 1.757 -0.041 0.800 1.000 0.833 CB 1.177 7 residues pruned to eliminate duplicates Z: 19 22.857 1.932 0.616 0.830 0.889 0.556 CB 1.460 19 residues pruned to eliminate duplicates Z: 7 7.632 1.836 0.627 0.822 1.000 0.833 CB 0.789 7 residues pruned to eliminate duplicates Z: 22 29.523 2.021 0.825 0.897 0.905 0.476 CB 1.382 22 residues pruned to eliminate duplicates Z: 10 8.006 1.841 0.733 0.531 0.889 0.778 CB 0.913 Z: 7 3.622 1.676 0.101 0.344 0.833 0.500 N 1.139 Z: 14 25.876 2.004 0.605 0.918 1.000 0.538 CB 1.573 14 residues pruned to eliminate duplicates Z: 29 41.903 2.008 0.751 0.945 1.000 0.679 CB 1.558 30 residues pruned to eliminate duplicates Z: 40 13.763 1.905 0.424 0.416 0.821 0.564 CB 1.081 40 residues pruned to eliminate duplicates Z: 23 20.975 1.825 0.653 0.902 1.000 0.545 CB 1.057 23 residues pruned to eliminate duplicates Z: 9 4.184 1.790 -0.025 0.676 1.000 0.875 CB 0.721 9 residues pruned to eliminate duplicates Z: 8 2.843 1.694 0.070 0.381 0.857 0.714 CB 0.785 8 residues pruned to eliminate duplicates Z: 6 7.724 1.747 0.280 0.636 1.000 0.800 CB 1.359 6 residues pruned to eliminate duplicates Z: 13 9.838 1.610 0.324 0.803 1.000 0.750 CB 1.023 10 residues pruned to eliminate duplicates Z: 40 25.785 2.119 0.777 0.492 0.769 0.410 CB 1.436 40 residues pruned to eliminate duplicates Z: 11 17.606 1.884 0.533 0.895 1.000 0.800 CA 1.382 11 residues pruned to eliminate duplicates Z: 7 7.108 1.606 0.722 0.480 1.000 0.667 O 1.071 7 residues pruned to eliminate duplicates Z: 33 15.826 1.985 0.314 0.404 0.906 0.688 CB 1.309 33 residues pruned to eliminate duplicates Z: 6 8.178 1.751 0.145 0.820 1.000 0.800 CB 1.382 6 residues pruned to eliminate duplicates Z: 9 7.719 2.106 0.242 0.395 0.875 0.500 CB 1.333 9 residues pruned to eliminate duplicates Z: 32 23.927 1.996 0.490 0.526 0.903 0.516 CB 1.558 32 residues pruned to eliminate duplicates Z: 15 15.298 1.658 0.312 0.871 1.000 0.857 CB 1.371 14 residues pruned to eliminate duplicates Z: 28 43.845 2.010 0.992 0.914 0.963 0.889 CA 1.548 28 residues pruned to eliminate duplicates Z: 76 27.501 1.949 0.505 0.485 0.880 0.560 CB 1.249 76 residues pruned to eliminate duplicates Z: 24 40.351 1.974 1.000 0.935 1.000 0.522 CB 1.485 25 residues pruned to eliminate duplicates Z: 28 40.529 2.035 0.856 0.938 0.926 0.593 CB 1.551 29 residues pruned to eliminate duplicates Z: 12 10.576 1.725 0.434 0.796 0.818 0.636 CB 1.216 12 residues pruned to eliminate duplicates Z: 24 23.711 1.964 0.564 0.888 0.870 0.696 CB 1.334 24 residues pruned to eliminate duplicates Z: 8 17.367 1.688 1.396 0.848 1.000 0.857 CA 1.205 8 residues pruned to eliminate duplicates Z: 13 17.136 1.982 0.203 0.893 1.000 0.833 CB 1.489 13 residues pruned to eliminate duplicates Z: 10 15.338 1.998 0.837 0.857 0.778 0.667 CA 1.320 10 residues pruned to eliminate duplicates Z: 14 19.223 2.034 0.323 0.882 0.923 0.692 CB 1.553 14 residues pruned to eliminate duplicates Z: 7 3.929 1.778 -0.002 0.375 1.000 0.500 CB 1.034 10 residues pruned to eliminate duplicates Z: 8 11.494 2.065 0.418 0.725 1.000 1.000 CB 1.211 8 residues pruned to eliminate duplicates Z: 15 20.367 1.900 0.651 0.851 0.857 0.714 CA 1.498 15 residues pruned to eliminate duplicates Z: 24 41.743 2.147 0.904 0.932 1.000 0.913 CA 1.486 24 residues pruned to eliminate duplicates Z: 10 6.535 1.637 0.799 0.684 0.889 0.556 CB 0.703 Z: 11 14.096 1.907 0.389 0.884 1.000 0.800 CB 1.217 11 residues pruned to eliminate duplicates Z: 8 4.415 1.621 0.938 0.353 0.571 0.429 CB 1.090 Z: 50 24.471 1.998 0.477 0.527 0.918 0.714 CB 1.256 50 residues pruned to eliminate duplicates Z: 57 38.158 2.179 0.851 0.456 0.875 0.446 CB 1.511 57 residues pruned to eliminate duplicates Z: 32 42.096 2.273 0.564 0.854 0.968 0.903 CA 1.623 32 residues pruned to eliminate duplicates Z: 7 4.461 1.445 0.482 0.605 0.833 0.833 CB 0.924 Z: 8 13.175 1.799 0.739 0.683 1.000 0.857 CB 1.346 Z: 54 35.446 1.985 0.672 0.722 0.887 0.547 CB 1.354 54 residues pruned to eliminate duplicates Z: 10 8.190 1.750 0.371 0.830 0.778 0.444 CB 1.100 10 residues pruned to eliminate duplicates Z: 11 11.080 1.860 0.155 0.869 1.000 0.700 CB 1.192 11 residues pruned to eliminate duplicates 7 1.445 1.454 -0.146 0.252 0.667 0.500 N 0.947 ? Z: 24 9.661 1.865 0.443 0.324 0.826 0.522 CB 1.100 23 residues pruned to eliminate duplicates Z: 17 28.778 2.060 0.880 0.870 0.938 0.625 CA 1.446 17 residues pruned to eliminate duplicates Z: 18 14.205 1.609 0.320 0.902 1.000 0.882 CB 1.157 18 residues pruned to eliminate duplicates Z: 18 31.213 2.035 0.959 0.922 1.000 0.706 CB 1.336 18 residues pruned to eliminate duplicates Z: 7 10.370 1.902 0.837 0.714 0.833 0.667 CA 1.198 7 residues pruned to eliminate duplicates Z: 16 17.876 2.075 0.634 0.582 0.800 0.600 CB 1.573 17 residues pruned to eliminate duplicates 6 1.959 1.235 0.590 0.290 0.600 0.400 CB 0.942 ? Z: 15 24.452 1.955 0.651 0.906 1.000 0.643 CB 1.439 15 residues pruned to eliminate duplicates Z: 10 13.489 1.917 0.336 0.853 1.000 0.778 CB 1.297 11 residues pruned to eliminate duplicates Z: 54 28.160 1.994 0.577 0.524 0.887 0.679 CB 1.355 54 residues pruned to eliminate duplicates Z: 54 56.527 2.237 0.696 0.760 0.981 0.811 CA 1.655 54 residues pruned to eliminate duplicates Z: 7 7.282 1.944 0.971 0.502 0.833 0.500 CB 0.929 7 residues pruned to eliminate duplicates Z: 13 9.616 1.820 0.306 0.832 0.750 0.583 CB 1.169 13 residues pruned to eliminate duplicates Z: 14 15.602 1.740 0.683 0.578 0.923 0.615 CA 1.485 15 residues pruned to eliminate duplicates Z: 35 60.165 2.403 0.962 0.825 1.000 0.853 CA 1.652 35 residues pruned to eliminate duplicates Z: 22 23.278 1.847 0.553 0.932 1.000 0.667 CB 1.236 22 residues pruned to eliminate duplicates Z: 10 10.431 1.615 0.280 0.873 1.000 0.778 CB 1.225 10 residues pruned to eliminate duplicates Z: 18 6.552 1.603 0.294 0.415 0.765 0.529 CB 1.095 18 residues pruned to eliminate duplicates Z: 16 10.817 1.739 0.291 0.760 0.867 0.667 CB 1.140 16 residues pruned to eliminate duplicates Z: 25 22.768 1.901 0.711 0.629 0.917 0.417 CB 1.381 16 residues pruned to eliminate duplicates Z: 22 20.743 1.940 0.402 0.848 0.905 0.571 CB 1.365 22 residues pruned to eliminate duplicates Z: 22 17.278 1.889 0.420 0.651 0.857 0.619 CB 1.426 22 residues pruned to eliminate duplicates Z: 35 34.119 2.016 0.697 0.786 0.971 0.588 CB 1.370 35 residues pruned to eliminate duplicates Z: 7 2.284 1.495 0.213 0.279 0.667 0.500 CB 0.990 Z: 7 10.462 1.788 0.637 0.763 0.833 0.833 CB 1.387 7 residues pruned to eliminate duplicates Z: 73 36.956 1.966 0.545 0.628 0.903 0.694 CB 1.408 76 residues pruned to eliminate duplicates Z: 12 18.691 1.821 0.766 0.871 0.909 0.727 CB 1.406 12 residues pruned to eliminate duplicates Z: 10 3.844 1.479 0.200 0.285 0.889 0.333 CB 1.034 Z: 32 27.214 2.051 0.640 0.603 0.935 0.516 CB 1.408 32 residues pruned to eliminate duplicates Z: 10 6.787 1.776 0.437 0.176 0.889 0.556 CB 1.475 Z: 10 4.266 1.581 0.075 0.295 0.889 0.556 N 1.184 Z: 6 2.880 1.394 0.394 0.296 0.800 0.400 N 1.040 Z: 15 26.260 1.969 0.621 0.920 1.000 0.500 CB 1.549 15 residues pruned to eliminate duplicates Z: 11 9.528 1.886 0.646 0.456 1.000 0.700 CB 1.015 10 residues pruned to eliminate duplicates Z: 9 8.297 1.838 0.291 0.574 1.000 0.750 CB 1.151 8 residues pruned to eliminate duplicates Z: 15 21.489 2.031 0.475 0.841 1.000 0.857 CA 1.429 15 residues pruned to eliminate duplicates Z: 14 16.211 1.838 0.240 0.909 1.000 0.769 CA 1.400 14 residues pruned to eliminate duplicates Z: 25 33.830 2.016 0.715 0.885 0.917 0.708 CA 1.573 25 residues pruned to eliminate duplicates Z: 23 25.067 1.974 0.299 0.889 0.955 0.955 CB 1.572 23 residues pruned to eliminate duplicates Z: 18 21.720 1.829 0.548 0.828 1.000 0.706 CA 1.400 18 residues pruned to eliminate duplicates Z: 13 13.954 1.631 1.107 0.739 0.833 0.250 CB 1.135 13 residues pruned to eliminate duplicates Z: 6 4.024 1.663 0.201 0.668 0.800 0.800 CB 0.964 4 residues pruned to eliminate duplicates Z: 18 10.688 1.794 0.583 0.476 0.824 0.588 CB 1.135 19 residues pruned to eliminate duplicates Z: 7 3.655 1.797 0.057 0.666 1.000 0.500 CB 0.674 Z: 22 42.529 2.074 1.226 0.942 0.952 0.619 CB 1.464 22 residues pruned to eliminate duplicates Z: 8 6.429 1.721 0.303 0.738 0.857 0.286 CB 1.021 8 residues pruned to eliminate duplicates Z: 14 8.354 1.733 0.554 0.314 0.846 0.385 CB 1.249 14 residues pruned to eliminate duplicates Z: 13 18.529 2.054 0.532 0.842 0.917 0.667 CB 1.383 13 residues pruned to eliminate duplicates Z: 19 21.144 2.039 0.481 0.724 0.944 0.778 CB 1.427 19 residues pruned to eliminate duplicates Z: 9 5.485 1.633 0.758 0.323 0.750 0.500 CB 1.095 Z: 16 11.880 1.758 0.497 0.895 0.867 0.600 CB 0.964 16 residues pruned to eliminate duplicates Z: 8 6.523 1.658 0.296 0.764 1.000 0.714 CB 0.908 Z: 8 10.582 1.961 0.697 0.890 1.000 1.000 CB 0.865 8 residues pruned to eliminate duplicates Z: 87 66.241 2.270 0.837 0.567 0.965 0.651 CA 1.664 87 residues pruned to eliminate duplicates Z: 12 6.528 2.015 0.627 0.213 0.727 0.455 CB 1.158 12 residues pruned to eliminate duplicates Z: 8 5.539 1.550 0.007 0.820 0.857 0.571 O 1.186 8 residues pruned to eliminate duplicates Z: 19 22.473 2.027 0.566 0.736 0.889 0.833 CB 1.520 19 residues pruned to eliminate duplicates Z: 25 23.136 1.922 0.552 0.630 0.958 0.667 CB 1.462 25 residues pruned to eliminate duplicates Z: 8 6.380 1.664 0.617 0.418 0.857 0.714 CB 1.139 Z: 9 2.598 1.400 0.756 0.350 0.750 0.250 N 0.586 Z: 10 6.425 2.000 0.260 0.249 1.000 0.556 CB 1.134 10 residues pruned to eliminate duplicates Z: 40 21.071 2.014 0.629 0.442 0.769 0.538 CB 1.419 40 residues pruned to eliminate duplicates Z: 7 6.809 1.850 0.177 0.670 0.833 0.500 N 1.309 7 residues pruned to eliminate duplicates Z: 19 10.822 1.656 0.383 0.706 0.889 0.778 CB 1.039 17 residues pruned to eliminate duplicates Z: 6 7.570 1.729 1.038 0.423 0.800 0.400 CB 1.301 6 residues pruned to eliminate duplicates Z: 25 28.646 1.985 0.671 0.869 0.875 0.583 CB 1.472 25 residues pruned to eliminate duplicates Z: 8 2.490 1.533 0.296 0.351 0.714 0.571 CB 0.779 8 residues pruned to eliminate duplicates Z: 33 21.298 1.922 0.508 0.557 0.938 0.625 CB 1.311 33 residues pruned to eliminate duplicates Z: 11 8.499 1.597 0.241 0.887 1.000 0.800 CB 0.978 11 residues pruned to eliminate duplicates Z: 16 10.282 1.759 0.317 0.475 0.933 0.667 CB 1.259 15 residues pruned to eliminate duplicates Z: 24 20.447 1.922 0.598 0.614 0.870 0.609 CB 1.434 24 residues pruned to eliminate duplicates Z: 22 22.605 1.786 0.534 0.939 1.000 0.905 CB 1.251 22 residues pruned to eliminate duplicates Z: 8 12.685 1.910 0.811 0.744 0.857 0.714 CB 1.299 8 residues pruned to eliminate duplicates Z: 11 13.131 1.922 0.524 0.562 1.000 0.700 CB 1.335 11 residues pruned to eliminate duplicates Z: 6 2.623 1.551 0.457 0.276 1.000 0.400 CB 0.669 Z: 8 2.983 1.309 0.264 0.341 0.857 0.429 CA 0.945 Z: 7 5.917 1.690 0.310 0.519 1.000 0.833 CB 1.071 12 residues pruned to eliminate duplicates Z: 6 4.536 1.488 0.484 0.765 1.000 0.800 CB 0.726 Z: 9 4.018 1.619 0.042 0.370 0.875 0.500 CB 1.106 9 residues pruned to eliminate duplicates Z: 15 11.827 1.695 0.284 0.801 0.857 0.714 CB 1.302 15 residues pruned to eliminate duplicates Z: 13 10.057 1.788 0.215 0.850 0.917 0.583 CB 1.080 13 residues pruned to eliminate duplicates Z: 10 8.522 1.409 0.223 0.898 1.000 0.889 O 1.179 10 residues pruned to eliminate duplicates Z: 7 3.851 1.512 0.416 0.392 0.667 0.500 N 1.235 Z: 12 12.686 1.744 0.761 0.870 0.909 0.636 CB 1.000 12 residues pruned to eliminate duplicates Z: 12 12.437 1.852 0.161 0.845 0.909 0.727 CA 1.426 12 residues pruned to eliminate duplicates Z: 6 4.831 1.705 -0.072 0.776 1.000 1.000 CB 1.070 Z: 13 22.120 1.862 0.981 0.858 1.000 0.500 CA 1.275 13 residues pruned to eliminate duplicates Z: 21 7.001 1.625 0.233 0.550 0.700 0.400 CB 1.063 31 residues pruned to eliminate duplicates Z: 31 20.514 2.081 0.628 0.476 0.900 0.567 CB 1.258 31 residues pruned to eliminate duplicates Z: 7 5.723 1.680 0.572 0.535 0.833 0.833 CB 1.026 Z: 25 18.735 1.877 0.574 0.631 0.875 0.458 CB 1.308 25 residues pruned to eliminate duplicates Z: 9 6.838 1.447 0.269 0.849 0.875 0.750 CB 1.115 9 residues pruned to eliminate duplicates Z: 17 21.305 2.033 0.363 0.853 1.000 0.812 CA 1.421 17 residues pruned to eliminate duplicates Z: 10 13.193 1.948 0.692 0.496 1.000 0.778 CB 1.340 10 residues pruned to eliminate duplicates Z: 21 36.564 2.127 0.964 0.911 0.900 0.750 CB 1.541 21 residues pruned to eliminate duplicates Z: 32 27.578 1.916 0.740 0.723 0.935 0.548 CB 1.298 32 residues pruned to eliminate duplicates Z: 11 15.897 1.742 0.856 0.832 1.000 0.900 CB 1.167 11 residues pruned to eliminate duplicates Z: 6 11.062 2.036 0.446 0.750 1.000 0.800 CA 1.344 6 residues pruned to eliminate duplicates Z: 58 27.042 1.781 0.629 0.681 0.930 0.596 CB 1.124 53 residues pruned to eliminate duplicates Z: 16 27.534 2.091 0.573 0.915 1.000 0.933 CA 1.528 16 residues pruned to eliminate duplicates 7 1.921 1.360 0.630 0.186 0.667 0.500 C 0.773 ? 7 1.742 1.427 0.235 0.248 0.500 0.500 N 1.080 ? Z: 14 14.146 1.804 0.272 0.887 1.000 0.615 CB 1.233 14 residues pruned to eliminate duplicates Z: 20 10.525 2.047 0.768 0.282 0.842 0.211 CB 1.014 20 residues pruned to eliminate duplicates Z: 12 9.642 1.561 0.495 0.580 0.909 0.364 CB 1.268 12 residues pruned to eliminate duplicates Z: 6 4.065 1.581 0.020 0.618 1.000 0.800 CB 1.008 Z: 10 15.144 1.860 0.638 0.892 1.000 0.889 CB 1.190 10 residues pruned to eliminate duplicates Z: 30 25.339 1.989 0.838 0.549 0.931 0.552 CB 1.319 31 residues pruned to eliminate duplicates Z: 6 6.185 1.713 0.294 0.631 1.000 0.800 CB 1.104 Z: 30 33.059 2.142 0.788 0.619 0.897 0.414 CB 1.598 30 residues pruned to eliminate duplicates Z: 10 18.629 2.277 0.263 0.892 1.000 0.889 CA 1.552 10 residues pruned to eliminate duplicates Z: 8 9.063 1.951 0.543 0.635 0.857 0.714 CB 1.169 8 residues pruned to eliminate duplicates Z: 12 10.426 1.899 0.127 0.883 1.000 0.727 CB 1.062 12 residues pruned to eliminate duplicates Z: 23 16.657 1.786 0.216 0.910 0.955 0.864 CB 1.214 23 residues pruned to eliminate duplicates Z: 37 42.967 2.126 1.203 0.679 0.861 0.556 CB 1.506 37 residues pruned to eliminate duplicates Z: 17 22.712 2.192 0.708 0.557 0.875 0.688 CA 1.639 17 residues pruned to eliminate duplicates Z: 26 26.839 2.001 0.844 0.733 0.880 0.480 CB 1.342 26 residues pruned to eliminate duplicates Z: 19 9.191 1.693 0.268 0.536 0.833 0.667 CB 1.168 19 residues pruned to eliminate duplicates Z: 23 18.507 1.837 0.788 0.883 0.864 0.273 CB 1.006 23 residues pruned to eliminate duplicates Z: 6 2.423 1.526 0.246 0.300 0.800 0.600 CB 0.891 Z: 69 45.853 2.013 0.648 0.691 0.956 0.662 CB 1.472 69 residues pruned to eliminate duplicates Z: 33 20.577 1.967 0.609 0.471 0.875 0.531 CB 1.352 31 residues pruned to eliminate duplicates Z: 12 12.715 1.785 0.590 0.817 0.909 0.727 CB 1.128 12 residues pruned to eliminate duplicates Z: 23 24.589 1.864 0.663 0.889 1.000 0.636 CB 1.218 23 residues pruned to eliminate duplicates Z: 7 4.791 1.677 0.170 0.553 0.833 0.667 CB 1.136 7 residues pruned to eliminate duplicates Z: 12 12.723 1.795 0.337 0.845 0.909 0.727 CB 1.307 12 residues pruned to eliminate duplicates Z: 9 5.147 1.944 0.171 0.405 0.875 0.500 CB 1.009 9 residues pruned to eliminate duplicates Z: 12 9.595 1.503 0.267 0.886 1.000 0.909 CB 1.096 12 residues pruned to eliminate duplicates Z: 20 15.753 1.900 0.465 0.502 0.947 0.579 CB 1.367 20 residues pruned to eliminate duplicates Z: 9 10.416 1.844 0.435 0.781 0.875 0.500 CA 1.242 17 residues pruned to eliminate duplicates Z: 6 2.441 1.789 0.145 0.149 0.800 0.600 CB 1.026 Z: 13 15.287 1.952 0.473 0.868 0.833 0.667 CB 1.346 13 residues pruned to eliminate duplicates Z: 21 45.382 2.220 1.375 0.898 0.900 0.650 CB 1.529 21 residues pruned to eliminate duplicates Z: 7 3.235 1.979 0.029 0.662 0.833 0.833 CB 0.670 7 residues pruned to eliminate duplicates Z: 16 21.929 1.787 0.605 0.866 0.933 0.600 CB 1.549 16 residues pruned to eliminate duplicates Z: 10 6.267 1.663 0.512 0.618 0.667 0.333 CB 1.114 10 residues pruned to eliminate duplicates Z: 10 4.536 1.485 0.885 0.224 0.667 0.222 O 1.118 Z: 11 14.442 1.984 0.462 0.889 0.900 0.800 CA 1.259 11 residues pruned to eliminate duplicates Z: 16 22.498 1.920 0.735 0.833 0.867 0.667 CB 1.510 16 residues pruned to eliminate duplicates Z: 7 16.578 1.919 0.898 0.829 1.000 0.833 CA 1.398 7 residues pruned to eliminate duplicates Z: 21 15.866 1.918 0.364 0.577 0.850 0.650 CB 1.482 21 residues pruned to eliminate duplicates Z: 13 10.165 1.497 0.263 0.882 1.000 0.833 CB 1.123 13 residues pruned to eliminate duplicates Z: 8 3.101 1.535 0.374 0.373 0.714 0.571 CB 0.891 Z: 6 3.387 1.609 0.232 0.551 0.600 0.600 CA 1.212 Z: 32 28.649 2.108 0.774 0.556 0.839 0.452 CB 1.553 32 residues pruned to eliminate duplicates Z: 18 19.499 1.900 0.554 0.749 0.824 0.706 CB 1.557 18 residues pruned to eliminate duplicates Z: 15 14.010 1.739 0.141 0.877 1.000 0.929 CB 1.371 17 residues pruned to eliminate duplicates Z: 7 2.358 1.443 0.227 0.244 0.833 0.667 CA 0.877 Z: 12 24.651 1.989 1.211 0.895 1.000 0.636 CB 1.211 12 residues pruned to eliminate duplicates Z: 7 3.564 1.512 0.732 0.598 0.500 0.500 CA 1.012 7 residues pruned to eliminate duplicates Z: 9 11.591 2.016 0.165 0.881 0.875 0.750 CB 1.444 9 residues pruned to eliminate duplicates Z: 8 13.366 1.895 0.831 0.790 1.000 0.429 CA 1.129 8 residues pruned to eliminate duplicates Z: 6 10.823 2.115 0.510 0.722 1.000 1.000 CB 1.240 6 residues pruned to eliminate duplicates Z: 29 18.468 2.005 0.414 0.454 0.893 0.643 CB 1.446 30 residues pruned to eliminate duplicates Z: 8 9.773 1.932 0.454 0.698 0.714 0.429 N 1.537 8 residues pruned to eliminate duplicates Z: 14 15.032 1.814 0.356 0.877 0.923 0.462 CB 1.334 14 residues pruned to eliminate duplicates Z: 13 8.862 1.789 0.616 0.409 0.750 0.583 CB 1.297 13 residues pruned to eliminate duplicates Z: 14 16.186 1.833 0.237 0.902 1.000 0.846 CA 1.412 14 residues pruned to eliminate duplicates Z: 10 8.035 1.443 0.320 0.824 0.889 0.667 N 1.195 10 residues pruned to eliminate duplicates Z: 28 19.751 1.895 0.837 0.535 0.852 0.444 CB 1.238 28 residues pruned to eliminate duplicates Z: 16 12.660 1.868 0.655 0.414 0.933 0.600 CB 1.239 16 residues pruned to eliminate duplicates Z: 33 33.783 2.034 0.769 0.815 0.938 0.844 CA 1.346 33 residues pruned to eliminate duplicates Z: 7 2.563 1.601 -0.109 0.325 0.833 0.333 CB 1.067 Z: 7 3.687 1.373 0.089 0.506 1.000 0.333 CA 1.001 7 residues pruned to eliminate duplicates Z: 38 28.129 1.894 0.770 0.687 0.892 0.541 CB 1.303 38 residues pruned to eliminate duplicates Z: 13 9.942 1.791 0.220 0.812 1.000 0.917 CB 1.001 13 residues pruned to eliminate duplicates Z: 12 17.615 1.983 0.327 0.919 1.000 0.909 CB 1.423 13 residues pruned to eliminate duplicates Z: 6 5.640 1.990 0.726 0.549 0.600 0.200 CA 1.167 6 residues pruned to eliminate duplicates Z: 10 10.558 1.991 0.261 0.862 0.889 0.778 CB 1.157 10 residues pruned to eliminate duplicates Z: 43 31.401 1.909 0.764 0.638 0.929 0.476 CB 1.361 42 residues pruned to eliminate duplicates Z: 22 27.813 1.981 0.843 0.863 0.905 0.571 CA 1.349 22 residues pruned to eliminate duplicates Z: 7 5.230 1.751 -0.034 0.707 0.833 0.833 CB 1.255 7 residues pruned to eliminate duplicates Z: 11 8.047 1.470 0.452 0.810 1.000 0.800 CB 0.910 11 residues pruned to eliminate duplicates Z: 55 45.023 2.191 0.880 0.522 0.926 0.630 CB 1.572 55 residues pruned to eliminate duplicates 6 1.397 1.444 0.313 0.440 0.800 0.400 CB 0.438 ? Z: 14 20.249 1.884 0.390 0.889 1.000 0.923 CB 1.543 17 residues pruned to eliminate duplicates Z: 31 52.315 2.081 1.160 0.925 0.967 0.467 CB 1.543 31 residues pruned to eliminate duplicates Z: 6 3.274 1.381 0.541 0.435 1.000 0.400 O 0.736 Z: 31 18.611 1.809 0.596 0.756 0.933 0.533 CB 1.004 31 residues pruned to eliminate duplicates Z: 21 10.527 1.905 0.641 0.443 0.650 0.550 CB 1.229 21 residues pruned to eliminate duplicates Z: 16 18.309 1.746 0.410 0.851 1.000 0.800 CA 1.420 16 residues pruned to eliminate duplicates Z: 36 32.786 2.032 0.609 0.750 0.943 0.629 CB 1.438 36 residues pruned to eliminate duplicates Z: 9 4.035 1.577 0.176 0.396 0.750 0.375 CB 1.145 6 residues pruned to eliminate duplicates Z: 30 29.648 1.917 0.673 0.776 0.931 0.690 CB 1.445 30 residues pruned to eliminate duplicates Z: 14 5.041 1.722 0.206 0.361 0.692 0.538 CB 1.129 14 residues pruned to eliminate duplicates Z: 29 36.404 2.017 0.889 0.746 0.964 0.714 CA 1.503 29 residues pruned to eliminate duplicates Z: 8 10.269 1.967 0.126 0.845 0.857 0.714 CA 1.520 8 residues pruned to eliminate duplicates Z: 33 23.436 2.057 0.562 0.588 0.812 0.562 CB 1.459 33 residues pruned to eliminate duplicates Z: 9 27.913 2.108 1.122 0.910 1.000 0.875 CB 1.564 9 residues pruned to eliminate duplicates Z: 12 9.720 1.921 0.602 0.436 0.818 0.727 CB 1.244 12 residues pruned to eliminate duplicates 6 1.483 1.574 0.150 0.428 0.400 0.400 CB 0.987 ? Z: 8 16.595 1.894 0.622 0.843 1.000 1.000 CA 1.520 8 residues pruned to eliminate duplicates 6 1.297 1.505 0.067 0.100 0.800 0.400 CB 0.752 ? Z: 6 3.491 1.646 -0.018 0.442 0.800 0.400 O 1.283 6 residues pruned to eliminate duplicates Z: 28 27.925 2.002 0.593 0.698 0.963 0.815 CB 1.461 36 residues pruned to eliminate duplicates Z: 45 33.876 2.005 0.550 0.704 0.955 0.614 CB 1.430 45 residues pruned to eliminate duplicates Z: 29 46.835 2.017 1.130 0.936 0.964 0.786 CA 1.487 31 residues pruned to eliminate duplicates Z: 6 2.246 1.523 0.471 0.457 0.600 0.400 CB 0.781 Z: 40 28.786 1.993 0.522 0.634 0.974 0.462 CB 1.376 43 residues pruned to eliminate duplicates Z: 13 9.186 2.085 0.263 0.269 0.917 0.250 CB 1.429 13 residues pruned to eliminate duplicates Z: 12 8.367 1.817 0.190 0.499 0.909 0.727 CB 1.285 10 residues pruned to eliminate duplicates Z: 8 14.582 1.789 0.824 0.742 1.000 0.571 CA 1.360 8 residues pruned to eliminate duplicates Z: 18 22.887 2.184 0.738 0.463 0.941 0.412 CB 1.615 18 residues pruned to eliminate duplicates Z: 7 3.318 1.557 0.376 0.475 0.833 0.500 CB 0.778 Z: 16 22.898 1.958 0.590 0.895 1.000 0.400 CB 1.361 16 residues pruned to eliminate duplicates Z: 7 3.947 1.473 0.336 0.578 0.833 0.500 CB 0.911 Z: 11 15.838 1.696 0.545 0.873 1.000 0.800 O 1.392 11 residues pruned to eliminate duplicates Z: 10 14.184 1.812 0.498 0.876 1.000 0.667 CB 1.266 10 residues pruned to eliminate duplicates Z: 6 5.553 1.785 0.210 0.740 0.800 0.800 CB 1.159 6 residues pruned to eliminate duplicates Z: 45 27.619 2.022 0.488 0.561 0.932 0.523 CB 1.400 47 residues pruned to eliminate duplicates Z: 24 21.476 1.991 0.827 0.508 0.826 0.609 CB 1.478 23 residues pruned to eliminate duplicates Z: 19 16.303 1.674 0.230 0.935 1.000 0.944 CB 1.301 19 residues pruned to eliminate duplicates Z: 32 20.511 1.788 0.611 0.732 0.903 0.645 CB 1.149 32 residues pruned to eliminate duplicates Z: 8 6.227 1.596 0.808 0.723 0.571 0.429 CA 1.166 8 residues pruned to eliminate duplicates Z: 20 10.157 1.543 0.321 0.564 0.947 0.632 CB 1.134 14 residues pruned to eliminate duplicates Z: 38 30.567 1.982 0.441 0.719 0.919 0.703 CB 1.571 38 residues pruned to eliminate duplicates Z: 8 6.510 1.812 0.394 0.335 0.857 0.429 CB 1.361 8 residues pruned to eliminate duplicates Z: 55 54.618 2.217 0.757 0.692 0.944 0.611 CB 1.694 55 residues pruned to eliminate duplicates Z: 30 23.583 1.999 0.510 0.592 0.931 0.690 CB 1.428 30 residues pruned to eliminate duplicates Z: 6 5.547 1.587 0.283 0.605 1.000 0.600 CB 1.103 Z: 15 9.327 1.840 0.476 0.637 0.786 0.286 CB 1.027 15 residues pruned to eliminate duplicates Z: 14 18.458 1.676 0.681 0.900 1.000 0.769 CB 1.298 14 residues pruned to eliminate duplicates Z: 6 5.075 1.691 0.372 0.438 1.000 0.600 CB 1.042 Z: 12 8.789 1.780 0.820 0.364 0.727 0.545 CB 1.302 Z: 23 17.600 2.100 0.646 0.330 0.909 0.636 CB 1.439 23 residues pruned to eliminate duplicates Z: 28 15.930 1.766 0.682 0.493 0.889 0.630 CB 1.170 28 residues pruned to eliminate duplicates Z: 30 39.592 1.973 0.839 0.925 0.966 0.828 CA 1.472 30 residues pruned to eliminate duplicates Z: 11 8.163 1.703 0.499 0.918 1.000 0.500 CB 0.714 11 residues pruned to eliminate duplicates Z: 28 20.450 1.731 0.473 0.662 1.000 0.630 CB 1.328 28 residues pruned to eliminate duplicates Z: 7 9.895 1.617 0.615 0.752 1.000 0.500 CA 1.236 7 residues pruned to eliminate duplicates Z: 17 19.134 2.033 0.848 0.477 0.938 0.625 CB 1.390 16 residues pruned to eliminate duplicates Z: 38 27.650 2.048 0.507 0.559 0.973 0.568 CB 1.429 38 residues pruned to eliminate duplicates Z: 42 23.857 1.947 0.633 0.563 0.878 0.561 CB 1.256 42 residues pruned to eliminate duplicates Z: 48 29.165 2.150 0.541 0.474 0.851 0.426 CB 1.548 48 residues pruned to eliminate duplicates Z: 6 4.501 1.445 0.453 0.459 1.000 0.600 CB 1.000 Z: 14 7.890 1.700 0.095 0.599 0.846 0.538 CA 1.263 14 residues pruned to eliminate duplicates Z: 6 6.644 1.897 0.246 0.583 0.800 0.600 N 1.451 Z: 16 17.611 2.124 0.765 0.432 0.867 0.533 CB 1.500 16 residues pruned to eliminate duplicates Z: 16 27.734 1.936 0.761 0.918 0.933 0.733 CB 1.587 19 residues pruned to eliminate duplicates Z: 17 9.172 1.810 0.777 0.437 0.688 0.438 CB 1.107 17 residues pruned to eliminate duplicates Z: 6 2.371 1.165 0.569 0.682 1.000 0.600 CB 0.491 Z: 16 9.190 1.674 0.231 0.646 0.800 0.533 CB 1.256 16 residues pruned to eliminate duplicates Z: 10 9.171 1.616 0.701 0.901 1.000 0.778 CB 0.794 10 residues pruned to eliminate duplicates Z: 6 4.863 1.822 0.368 0.737 0.600 0.200 N 1.176 6 residues pruned to eliminate duplicates Z: 17 29.262 1.991 0.680 0.894 1.000 0.812 CB 1.568 17 residues pruned to eliminate duplicates Z: 13 15.488 1.894 0.183 0.926 1.000 0.917 CA 1.400 13 residues pruned to eliminate duplicates Z: 17 25.082 1.905 1.057 0.902 0.812 0.438 CB 1.405 17 residues pruned to eliminate duplicates Z: 11 5.846 1.785 0.352 0.367 0.800 0.400 CB 1.104 11 residues pruned to eliminate duplicates Z: 8 14.686 1.820 0.574 0.782 1.000 0.571 O 1.512 8 residues pruned to eliminate duplicates Z: 6 2.342 1.237 0.157 0.436 0.800 0.600 CA 0.978 Z: 23 25.105 1.916 0.503 0.850 0.955 0.773 CB 1.442 23 residues pruned to eliminate duplicates Z: 6 2.016 1.195 0.398 0.296 1.000 0.400 CA 0.677 Z: 7 7.774 1.584 0.673 0.840 1.000 1.000 CB 0.895 Z: 25 17.563 2.119 0.554 0.327 0.875 0.458 CA 1.505 25 residues pruned to eliminate duplicates Z: 10 4.397 1.560 0.217 0.395 0.778 0.667 CB 1.109 Z: 15 22.536 1.944 0.558 0.939 1.000 1.000 CB 1.382 15 residues pruned to eliminate duplicates Z: 8 6.470 1.615 0.279 0.557 0.857 0.857 N 1.306 8 residues pruned to eliminate duplicates Z: 6 3.269 1.384 0.272 0.475 0.800 0.800 CB 1.064 Z: 14 12.764 1.731 0.516 0.647 0.846 0.615 N 1.390 14 residues pruned to eliminate duplicates Z: 16 13.580 1.658 0.498 0.904 0.867 0.733 CB 1.161 16 residues pruned to eliminate duplicates Z: 10 7.456 1.511 0.188 0.853 1.000 1.000 CB 1.022 10 residues pruned to eliminate duplicates Z: 29 26.564 1.939 0.559 0.681 0.964 0.750 CA 1.458 29 residues pruned to eliminate duplicates Z: 8 10.236 1.860 0.078 0.885 1.000 1.000 CA 1.393 8 residues pruned to eliminate duplicates Z: 6 7.495 1.760 0.681 0.536 1.000 0.600 CB 1.093 5 residues pruned to eliminate duplicates Z: 6 6.474 1.520 0.348 0.869 1.000 0.800 N 1.032 6 residues pruned to eliminate duplicates Z: 14 14.358 1.646 0.491 0.900 1.000 0.769 CB 1.159 13 residues pruned to eliminate duplicates Z: 8 9.695 1.805 0.306 0.619 1.000 0.714 CA 1.389 8 residues pruned to eliminate duplicates Z: 9 11.269 1.733 0.811 0.851 0.875 0.625 CB 1.074 10 residues pruned to eliminate duplicates Z: 20 15.720 2.123 0.447 0.367 0.895 0.474 CB 1.513 20 residues pruned to eliminate duplicates Z: 6 4.399 2.148 0.288 0.690 0.600 0.600 CB 0.995 6 residues pruned to eliminate duplicates Z: 12 15.545 1.870 0.560 0.883 1.000 0.636 CB 1.162 11 residues pruned to eliminate duplicates Z: 31 45.972 2.025 1.068 0.951 0.967 0.633 CB 1.429 31 residues pruned to eliminate duplicates Z: 9 12.480 1.710 0.594 0.784 1.000 0.750 CB 1.261 9 residues pruned to eliminate duplicates Z: 12 10.589 1.865 0.432 0.565 1.000 0.636 CB 1.122 12 residues pruned to eliminate duplicates Z: 61 23.016 2.097 0.423 0.372 0.800 0.517 CB 1.428 20 residues pruned to eliminate duplicates Z: 13 28.771 1.868 1.226 0.889 1.000 0.417 CA 1.438 13 residues pruned to eliminate duplicates Z: 31 26.900 2.085 0.421 0.664 0.967 0.667 CB 1.473 31 residues pruned to eliminate duplicates Z: 28 24.484 1.932 0.682 0.612 0.926 0.667 CB 1.408 28 residues pruned to eliminate duplicates Z: 31 30.533 1.921 0.682 0.817 1.000 0.933 CA 1.309 31 residues pruned to eliminate duplicates Z: 16 18.985 1.897 0.584 0.842 0.800 0.333 N 1.519 16 residues pruned to eliminate duplicates Z: 17 19.118 1.905 0.409 0.845 0.938 0.875 CB 1.412 17 residues pruned to eliminate duplicates Z: 7 4.505 1.681 0.168 0.451 0.833 0.500 CB 1.182 7 residues pruned to eliminate duplicates Z: 18 14.444 1.585 0.635 0.901 0.941 0.824 CB 1.024 18 residues pruned to eliminate duplicates Z: 9 10.242 1.900 0.243 0.837 1.000 0.875 CA 1.147 9 residues pruned to eliminate duplicates Z: 6 6.885 1.834 0.270 0.621 0.800 0.800 CA 1.474 Z: 11 8.413 1.643 0.544 0.407 0.800 0.500 O 1.445 11 residues pruned to eliminate duplicates Z: 28 17.606 1.914 0.469 0.598 0.852 0.667 CB 1.289 28 residues pruned to eliminate duplicates Z: 9 4.157 1.547 0.449 0.319 0.750 0.500 C 1.067 Z: 8 5.152 1.554 0.292 0.763 0.857 0.857 CB 0.896 7 residues pruned to eliminate duplicates Z: 27 19.564 1.990 0.554 0.542 0.885 0.615 CB 1.346 27 residues pruned to eliminate duplicates Z: 35 18.794 1.883 0.521 0.526 0.824 0.559 CB 1.332 35 residues pruned to eliminate duplicates Z: 10 4.282 1.425 0.320 0.295 0.778 0.333 CA 1.227 Z: 10 16.657 1.892 0.722 0.890 1.000 0.556 CB 1.227 10 residues pruned to eliminate duplicates Z: 8 7.040 1.710 0.391 0.702 0.714 0.429 N 1.303 8 residues pruned to eliminate duplicates Z: 6 2.582 1.480 0.352 0.388 0.800 0.600 CB 0.813 Z: 25 15.720 2.085 0.544 0.473 0.708 0.625 CB 1.446 25 residues pruned to eliminate duplicates Z: 29 14.429 1.639 0.396 0.579 0.929 0.571 CB 1.190 29 residues pruned to eliminate duplicates Z: 44 33.678 2.240 0.654 0.454 0.930 0.488 CB 1.562 44 residues pruned to eliminate duplicates Z: 37 12.770 1.787 0.629 0.315 0.806 0.528 CB 1.114 54 residues pruned to eliminate duplicates Z: 27 38.679 1.999 0.976 0.834 0.923 0.615 CB 1.559 27 residues pruned to eliminate duplicates Z: 8 7.280 1.537 0.280 0.814 0.857 0.571 N 1.242 8 residues pruned to eliminate duplicates Z: 8 3.444 1.552 0.649 0.436 0.571 0.429 CB 0.951 Z: 6 2.448 1.507 0.285 0.418 0.600 0.600 CA 1.026 Z: 6 3.888 1.767 0.091 0.630 1.000 0.800 CB 0.798 Z: 10 12.419 1.808 0.383 0.884 1.000 1.000 CB 1.196 10 residues pruned to eliminate duplicates Z: 7 10.876 1.756 0.473 0.815 1.000 1.000 CB 1.306 7 residues pruned to eliminate duplicates Z: 12 9.217 1.783 0.436 0.438 0.818 0.545 CB 1.415 12 residues pruned to eliminate duplicates Z: 7 7.427 1.717 0.069 0.748 1.000 0.667 O 1.325 7 residues pruned to eliminate duplicates Z: 11 3.779 1.491 0.137 0.309 0.800 0.300 CA 1.089 Z: 30 16.267 1.708 0.720 0.528 0.793 0.345 CB 1.261 30 residues pruned to eliminate duplicates Z: 30 17.945 1.812 0.588 0.694 0.793 0.414 CB 1.223 30 residues pruned to eliminate duplicates Z: 54 55.498 2.208 0.955 0.658 0.943 0.660 CA 1.616 54 residues pruned to eliminate duplicates Z: 7 4.388 1.404 0.277 0.548 1.000 0.667 CB 0.954 Z: 15 29.477 2.184 0.645 0.924 0.929 0.857 CA 1.658 15 residues pruned to eliminate duplicates Z: 6 8.392 1.776 0.608 0.690 1.000 0.800 CB 1.104 6 residues pruned to eliminate duplicates Z: 14 18.751 1.969 0.537 0.819 0.923 0.692 CB 1.411 14 residues pruned to eliminate duplicates Z: 10 3.163 1.555 0.216 0.400 0.667 0.444 CB 0.929 Z: 11 8.252 1.822 0.442 0.405 0.800 0.600 CB 1.372 11 residues pruned to eliminate duplicates Z: 11 10.025 1.557 0.344 0.872 1.000 0.800 CB 1.104 11 residues pruned to eliminate duplicates Z: 12 11.067 1.683 0.284 0.889 1.000 0.818 CB 1.111 14 residues pruned to eliminate duplicates Z: 18 13.945 1.892 0.824 0.450 0.882 0.412 CB 1.170 18 residues pruned to eliminate duplicates Z: 15 21.574 1.852 0.641 0.871 0.929 0.643 CA 1.491 15 residues pruned to eliminate duplicates Z: 7 4.338 1.279 0.831 0.378 0.833 0.667 CB 1.034 Z: 32 13.742 1.814 0.352 0.440 0.839 0.516 CB 1.276 32 residues pruned to eliminate duplicates Z: 13 12.643 1.800 0.635 0.752 0.833 0.333 CB 1.189 13 residues pruned to eliminate duplicates Z: 9 10.542 1.533 0.592 0.821 0.875 0.750 O 1.322 9 residues pruned to eliminate duplicates Z: 9 4.080 1.489 0.635 0.288 0.750 0.375 CB 1.003 Z: 16 10.887 1.641 0.273 0.665 0.933 0.600 CB 1.238 16 residues pruned to eliminate duplicates Z: 15 10.534 1.581 0.808 0.834 0.857 0.500 CB 0.862 15 residues pruned to eliminate duplicates Z: 6 13.143 1.824 0.702 0.795 1.000 0.800 CB 1.462 Z: 17 12.950 2.002 0.589 0.295 0.812 0.250 CB 1.576 17 residues pruned to eliminate duplicates Z: 24 36.819 2.070 0.901 0.920 1.000 0.913 CA 1.375 24 residues pruned to eliminate duplicates Z: 22 15.008 1.558 0.749 0.898 0.952 0.286 CB 0.903 22 residues pruned to eliminate duplicates Z: 27 24.984 2.074 0.423 0.607 0.962 0.692 CB 1.559 27 residues pruned to eliminate duplicates Z: 16 9.488 1.696 0.424 0.503 0.800 0.533 CB 1.265 16 residues pruned to eliminate duplicates Z: 13 4.844 1.322 0.559 0.289 0.917 0.333 CA 0.938 13 residues pruned to eliminate duplicates Z: 14 21.841 1.882 0.685 0.911 0.923 0.385 CB 1.466 14 residues pruned to eliminate duplicates Z: 11 10.431 2.062 0.459 0.354 0.900 0.600 CA 1.426 11 residues pruned to eliminate duplicates Z: 8 2.791 1.746 -0.028 0.527 0.857 0.714 CB 0.707 7 residues pruned to eliminate duplicates Z: 12 14.830 1.893 0.321 0.919 1.000 0.727 CA 1.259 12 residues pruned to eliminate duplicates Z: 14 15.086 1.781 0.449 0.830 1.000 0.615 CB 1.220 14 residues pruned to eliminate duplicates Z: 8 3.219 1.344 0.018 0.430 1.000 0.429 CB 0.956 Z: 14 19.053 1.877 0.514 0.883 1.000 0.846 CB 1.345 14 residues pruned to eliminate duplicates Z: 12 10.169 1.762 0.548 0.444 0.818 0.545 CB 1.455 12 residues pruned to eliminate duplicates Z: 25 17.043 1.998 0.301 0.570 0.875 0.625 CB 1.429 25 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 9 22.290 2.055 0.994 0.823 0.875 0.625 CB 1.661 9 residues pruned to eliminate duplicates Z: 31 21.376 2.039 0.618 0.517 0.867 0.567 CB 1.341 31 residues pruned to eliminate duplicates Z: 29 26.758 2.000 0.816 0.544 0.929 0.500 CB 1.436 29 residues pruned to eliminate duplicates Z: 28 22.746 2.057 0.593 0.548 0.889 0.407 CB 1.434 28 residues pruned to eliminate duplicates Z: 30 21.978 2.104 0.437 0.542 0.862 0.724 CB 1.503 30 residues pruned to eliminate duplicates Z: 30 23.364 2.033 0.692 0.538 0.862 0.724 CB 1.411 30 residues pruned to eliminate duplicates Z: 15 21.634 2.097 0.734 0.631 0.857 0.714 CA 1.640 15 residues pruned to eliminate duplicates Z: 9 3.842 1.729 0.076 0.241 0.875 0.375 CB 1.127 7 residues pruned to eliminate duplicates Z: 6 3.729 1.753 0.021 0.365 1.000 0.800 CB 1.077 6 residues pruned to eliminate duplicates Z: 10 4.745 1.720 0.285 0.243 0.889 0.333 CB 1.083 10 residues pruned to eliminate duplicates Z: 8 3.722 1.809 -0.012 0.221 0.857 0.571 CB 1.274 8 residues pruned to eliminate duplicates Z: 10 4.829 1.726 0.240 0.170 0.889 0.333 CB 1.264 10 residues pruned to eliminate duplicates Z: 13 5.788 1.567 0.284 0.170 0.917 0.500 O 1.352 11 residues pruned to eliminate duplicates Z: 9 14.038 1.994 0.529 0.849 1.000 0.875 CB 1.207 9 residues pruned to eliminate duplicates Z: 30 17.524 1.968 0.730 0.454 0.793 0.586 CB 1.263 30 residues pruned to eliminate duplicates Z: 31 20.001 1.924 0.706 0.427 0.867 0.700 CB 1.386 31 residues pruned to eliminate duplicates Z: 32 21.008 1.987 0.711 0.497 0.806 0.710 CB 1.380 32 residues pruned to eliminate duplicates Z: 12 9.051 1.751 0.249 0.566 0.909 0.545 CB 1.287 12 residues pruned to eliminate duplicates Z: 12 14.170 1.830 0.609 0.631 1.000 0.818 CB 1.283 12 residues pruned to eliminate duplicates Z: 18 19.072 1.911 0.439 0.763 0.941 0.706 CB 1.415 18 residues pruned to eliminate duplicates Z: 22 20.575 1.955 0.615 0.660 0.905 0.714 CB 1.354 22 residues pruned to eliminate duplicates Z: 24 22.391 1.960 0.541 0.676 0.913 0.826 CB 1.439 24 residues pruned to eliminate duplicates Z: 14 31.064 2.017 0.776 0.898 1.000 0.692 CB 1.720 14 residues pruned to eliminate duplicates Z: 26 23.096 1.962 0.641 0.613 0.920 0.680 CB 1.401 26 residues pruned to eliminate duplicates Z: 18 21.995 2.029 0.571 0.666 0.941 0.588 CB 1.525 18 residues pruned to eliminate duplicates Z: 25 21.733 1.935 0.670 0.581 0.917 0.667 CB 1.386 25 residues pruned to eliminate duplicates Z: 26 23.088 1.956 0.606 0.609 0.920 0.800 CB 1.441 26 residues pruned to eliminate duplicates Z: 27 24.170 1.935 0.631 0.616 0.962 0.769 CB 1.399 27 residues pruned to eliminate duplicates Z: 20 22.728 2.034 0.707 0.662 0.895 0.737 CB 1.444 20 residues pruned to eliminate duplicates Z: 28 20.308 1.927 0.492 0.562 0.926 0.630 CB 1.383 28 residues pruned to eliminate duplicates Z: 17 26.005 2.101 0.565 0.765 0.938 0.688 CA 1.667 17 residues pruned to eliminate duplicates Z: 35 30.160 2.073 0.625 0.632 0.882 0.765 CB 1.537 35 residues pruned to eliminate duplicates Z: 33 32.200 2.097 0.650 0.619 0.938 0.688 CB 1.568 40 residues pruned to eliminate duplicates Z: 19 32.166 2.125 0.727 0.833 0.944 0.778 CA 1.641 19 residues pruned to eliminate duplicates Z: 16 15.527 2.077 0.578 0.486 0.933 0.533 CB 1.330 16 residues pruned to eliminate duplicates Z: 17 16.090 2.042 0.648 0.453 0.938 0.625 CB 1.338 17 residues pruned to eliminate duplicates Z: 32 25.541 2.039 0.766 0.585 0.806 0.387 CB 1.456 32 residues pruned to eliminate duplicates Z: 29 19.464 1.978 0.875 0.467 0.857 0.571 CB 1.196 29 residues pruned to eliminate duplicates Z: 29 17.094 1.997 0.557 0.476 0.857 0.500 CB 1.241 29 residues pruned to eliminate duplicates Z: 19 14.862 1.984 0.476 0.485 0.944 0.667 CB 1.285 19 residues pruned to eliminate duplicates Z: 39 24.178 2.002 0.749 0.461 0.895 0.579 CB 1.302 39 residues pruned to eliminate duplicates Z: 10 20.898 1.969 0.825 0.885 1.000 0.444 CB 1.399 10 residues pruned to eliminate duplicates Z: 10 15.980 1.970 0.765 0.916 0.889 0.222 CB 1.218 10 residues pruned to eliminate duplicates Z: 9 21.755 2.063 0.788 0.884 1.000 0.375 CB 1.508 9 residues pruned to eliminate duplicates Z: 10 16.790 1.996 0.795 0.887 0.778 0.556 CB 1.448 10 residues pruned to eliminate duplicates Z: 10 16.296 1.990 0.871 0.871 0.778 0.556 CB 1.368 10 residues pruned to eliminate duplicates Z: 9 17.942 2.027 0.878 0.924 1.000 0.625 CB 1.169 9 residues pruned to eliminate duplicates Z: 15 7.062 1.565 0.231 0.463 0.929 0.500 CB 1.096 15 residues pruned to eliminate duplicates Z: 12 6.032 1.619 0.263 0.399 0.909 0.364 CB 1.088 12 residues pruned to eliminate duplicates Z: 16 9.409 1.600 0.438 0.704 1.000 0.667 CB 0.876 16 residues pruned to eliminate duplicates Z: 13 6.196 1.645 0.138 0.603 0.917 0.417 CB 0.945 13 residues pruned to eliminate duplicates Z: 16 6.209 1.522 0.294 0.500 0.800 0.533 CB 1.018 16 residues pruned to eliminate duplicates Z: 8 4.974 1.577 0.317 0.405 0.714 0.429 CB 1.401 8 residues pruned to eliminate duplicates Z: 9 4.580 1.637 0.121 0.550 0.875 0.375 CB 0.960 9 residues pruned to eliminate duplicates Z: 13 8.109 1.605 0.331 0.615 0.833 0.500 CB 1.180 13 residues pruned to eliminate duplicates Z: 20 8.273 1.548 0.178 0.523 0.895 0.368 CB 1.137 20 residues pruned to eliminate duplicates Z: 14 7.644 1.542 0.346 0.453 0.846 0.462 N 1.266 14 residues pruned to eliminate duplicates Z: 6 6.114 1.563 0.852 0.643 0.800 0.400 CB 1.033 6 residues pruned to eliminate duplicates Z: 15 10.366 1.633 0.438 0.671 0.929 0.571 CB 1.086 15 residues pruned to eliminate duplicates Z: 16 7.235 1.660 0.264 0.522 0.800 0.467 CB 1.089 16 residues pruned to eliminate duplicates Z: 16 10.076 1.664 0.207 0.688 1.000 0.800 CB 1.090 16 residues pruned to eliminate duplicates Z: 17 8.565 1.621 0.016 0.681 0.938 0.562 CB 1.173 17 residues pruned to eliminate duplicates Z: 16 9.989 1.595 0.373 0.752 0.933 0.800 CB 1.008 16 residues pruned to eliminate duplicates Z: 21 12.493 1.655 0.476 0.668 0.850 0.600 CB 1.152 21 residues pruned to eliminate duplicates Z: 7 5.257 1.601 0.346 0.630 0.833 0.500 CB 1.058 7 residues pruned to eliminate duplicates Z: 30 9.630 1.769 0.504 0.351 0.655 0.414 CB 1.206 30 residues pruned to eliminate duplicates Z: 34 20.648 2.011 0.825 0.455 0.788 0.636 CB 1.302 34 residues pruned to eliminate duplicates 6 1.908 2.071 0.516 0.256 0.400 0.200 CB 0.899 ? Z: 22 12.221 1.870 0.488 0.431 0.810 0.333 CB 1.272 22 residues pruned to eliminate duplicates Z: 30 15.127 1.920 0.560 0.394 0.793 0.483 CB 1.323 30 residues pruned to eliminate duplicates Z: 18 18.150 1.932 0.594 0.505 0.941 0.588 N 1.511 18 residues pruned to eliminate duplicates Z: 32 21.282 1.953 0.736 0.480 0.871 0.323 CB 1.321 32 residues pruned to eliminate duplicates Z: 27 22.479 1.980 0.702 0.577 0.846 0.538 CB 1.435 27 residues pruned to eliminate duplicates Z: 6 3.689 1.695 0.010 0.384 0.800 0.400 O 1.362 Z: 6 2.342 1.669 0.445 0.333 0.800 0.200 CB 0.652 3 residues pruned to eliminate duplicates Z: 7 2.560 1.645 0.345 0.304 0.833 0.500 CB 0.705 6 residues pruned to eliminate duplicates Z: 6 3.256 1.538 0.261 0.339 0.800 0.600 N 1.119 Z: 7 6.162 1.620 0.257 0.527 1.000 0.667 CA 1.203 6 residues pruned to eliminate duplicates Z: 6 2.618 1.181 0.697 0.470 0.800 0.800 CA 0.753 Z: 9 15.016 1.962 0.374 0.905 1.000 1.000 CB 1.402 11 residues pruned to eliminate duplicates Z: 10 16.042 1.919 0.434 0.878 1.000 0.778 CB 1.410 10 residues pruned to eliminate duplicates Z: 9 10.159 1.974 0.110 0.830 0.875 0.750 CB 1.409 9 residues pruned to eliminate duplicates Z: 10 9.558 1.897 0.097 0.802 1.000 0.778 CB 1.175 8 residues pruned to eliminate duplicates Z: 10 15.439 1.930 0.358 0.866 1.000 0.778 CB 1.438 10 residues pruned to eliminate duplicates Z: 11 12.459 1.922 0.609 0.779 0.900 0.800 CB 1.107 11 residues pruned to eliminate duplicates Z: 10 10.534 1.943 0.782 0.920 0.889 0.444 CB 0.803 10 residues pruned to eliminate duplicates Z: 12 15.706 1.867 0.759 0.829 1.000 0.727 CB 1.085 12 residues pruned to eliminate duplicates Z: 15 24.874 1.908 0.655 0.945 1.000 1.000 CB 1.457 15 residues pruned to eliminate duplicates Z: 15 20.603 1.949 0.432 0.904 0.929 0.929 CB 1.513 15 residues pruned to eliminate duplicates Z: 18 19.132 1.850 0.521 0.756 0.882 0.647 CB 1.488 18 residues pruned to eliminate duplicates Z: 16 23.968 1.909 0.724 0.846 0.933 0.667 CB 1.498 16 residues pruned to eliminate duplicates Z: 14 24.737 1.927 0.585 0.920 1.000 0.923 CB 1.583 14 residues pruned to eliminate duplicates Z: 15 26.868 1.936 0.679 0.928 1.000 0.786 CA 1.548 15 residues pruned to eliminate duplicates Z: 22 18.516 1.758 0.487 0.683 0.905 0.714 CB 1.444 16 residues pruned to eliminate duplicates Z: 14 22.553 1.869 0.692 0.877 0.923 0.692 CB 1.556 20 residues pruned to eliminate duplicates Z: 13 26.498 1.932 0.806 0.911 1.000 0.750 CB 1.553 13 residues pruned to eliminate duplicates Z: 14 22.382 1.903 0.669 0.889 0.923 0.923 CB 1.525 14 residues pruned to eliminate duplicates Z: 16 24.747 1.903 0.710 0.844 0.933 0.467 CB 1.565 16 residues pruned to eliminate duplicates Z: 14 28.960 1.954 0.769 0.921 1.000 0.923 CA 1.635 14 residues pruned to eliminate duplicates Z: 14 25.605 1.945 0.749 0.921 0.923 0.769 CB 1.591 14 residues pruned to eliminate duplicates Z: 10 7.772 1.590 0.732 0.461 0.889 0.333 CB 1.102 10 residues pruned to eliminate duplicates Z: 21 17.559 1.823 0.527 0.740 0.900 0.600 CB 1.263 21 residues pruned to eliminate duplicates Z: 18 14.591 1.761 0.611 0.624 0.941 0.588 CA 1.179 18 residues pruned to eliminate duplicates Z: 37 22.044 1.800 0.429 0.746 0.972 0.722 CB 1.179 36 residues pruned to eliminate duplicates Z: 22 20.685 1.875 0.446 0.911 0.952 0.952 CB 1.239 22 residues pruned to eliminate duplicates Z: 22 18.156 1.738 0.705 0.706 0.905 0.810 CB 1.225 22 residues pruned to eliminate duplicates Z: 15 20.110 1.914 0.658 0.866 1.000 0.786 CB 1.240 15 residues pruned to eliminate duplicates Z: 28 21.175 1.763 0.648 0.735 0.889 0.481 CB 1.278 28 residues pruned to eliminate duplicates Z: 12 11.462 1.757 0.805 0.596 0.727 0.545 CB 1.368 12 residues pruned to eliminate duplicates Z: 32 24.203 1.827 0.635 0.731 0.968 0.452 CB 1.221 31 residues pruned to eliminate duplicates Z: 24 22.254 1.830 0.662 0.884 0.957 0.565 CB 1.153 24 residues pruned to eliminate duplicates Z: 30 19.624 1.765 0.603 0.715 0.828 0.448 CB 1.281 30 residues pruned to eliminate duplicates Z: 33 24.677 1.827 0.586 0.693 0.938 0.500 CB 1.346 33 residues pruned to eliminate duplicates Z: 23 23.746 1.839 0.696 0.906 0.955 0.500 CB 1.209 23 residues pruned to eliminate duplicates Z: 33 18.525 1.800 0.579 0.709 0.906 0.500 CB 1.051 33 residues pruned to eliminate duplicates Z: 31 27.630 1.859 0.717 0.778 1.000 0.600 CB 1.237 31 residues pruned to eliminate duplicates Z: 29 20.511 1.818 0.554 0.710 0.893 0.321 CB 1.269 29 residues pruned to eliminate duplicates Z: 32 18.948 1.814 0.526 0.733 0.871 0.452 CB 1.145 32 residues pruned to eliminate duplicates Z: 38 22.920 1.826 0.604 0.727 0.865 0.459 CB 1.212 38 residues pruned to eliminate duplicates Z: 21 19.098 1.790 0.853 0.885 0.950 0.200 CB 0.979 21 residues pruned to eliminate duplicates Z: 37 19.302 1.802 0.553 0.718 0.944 0.417 CB 0.999 37 residues pruned to eliminate duplicates Z: 38 23.654 1.792 0.679 0.719 0.919 0.405 CB 1.154 38 residues pruned to eliminate duplicates Z: 56 28.393 1.781 0.632 0.693 0.909 0.564 CB 1.215 56 residues pruned to eliminate duplicates Z: 21 20.748 1.881 0.619 0.895 0.950 0.650 CB 1.150 21 residues pruned to eliminate duplicates Z: 38 21.645 1.805 0.506 0.730 0.973 0.486 CB 1.094 38 residues pruned to eliminate duplicates Z: 33 22.782 1.811 0.561 0.690 0.938 0.469 CB 1.277 33 residues pruned to eliminate duplicates Z: 29 20.917 1.826 0.613 0.721 0.929 0.536 CB 1.184 29 residues pruned to eliminate duplicates Z: 34 23.870 1.822 0.640 0.749 0.909 0.545 CB 1.225 34 residues pruned to eliminate duplicates Z: 12 7.394 1.796 0.410 0.505 0.818 0.545 CB 1.071 12 residues pruned to eliminate duplicates Z: 37 24.254 1.789 0.677 0.713 0.917 0.556 CB 1.212 37 residues pruned to eliminate duplicates Z: 13 8.680 1.671 0.693 0.481 0.833 0.500 CB 1.084 13 residues pruned to eliminate duplicates Z: 29 17.760 1.752 0.556 0.621 0.821 0.536 CB 1.336 29 residues pruned to eliminate duplicates Z: 10 6.446 1.552 0.705 0.495 0.778 0.556 CB 1.049 10 residues pruned to eliminate duplicates Z: 55 28.257 1.807 0.630 0.714 0.870 0.519 CB 1.236 55 residues pruned to eliminate duplicates Z: 38 18.324 1.755 0.585 0.635 0.892 0.595 CB 1.070 38 residues pruned to eliminate duplicates Z: 37 35.773 2.035 0.593 0.760 0.972 0.694 CB 1.501 36 residues pruned to eliminate duplicates Z: 25 27.391 1.898 0.496 0.809 1.000 0.667 CB 1.504 25 residues pruned to eliminate duplicates Z: 25 29.468 1.915 0.676 0.859 0.958 0.583 CB 1.439 25 residues pruned to eliminate duplicates Z: 40 30.775 1.968 0.572 0.705 0.923 0.590 CB 1.432 37 residues pruned to eliminate duplicates Z: 24 27.149 1.934 0.479 0.897 0.957 0.565 CB 1.481 28 residues pruned to eliminate duplicates Z: 24 26.386 1.916 0.421 0.880 1.000 0.696 CB 1.464 24 residues pruned to eliminate duplicates Z: 40 29.905 1.949 0.721 0.642 0.897 0.487 CB 1.394 36 residues pruned to eliminate duplicates Z: 25 24.843 1.873 0.490 0.833 0.958 0.583 CB 1.422 25 residues pruned to eliminate duplicates Z: 38 32.263 1.971 0.692 0.735 0.946 0.568 CB 1.361 38 residues pruned to eliminate duplicates Z: 37 29.962 1.967 0.537 0.706 0.972 0.694 CB 1.408 40 residues pruned to eliminate duplicates Z: 21 25.600 2.032 0.576 0.911 0.850 0.600 CB 1.490 21 residues pruned to eliminate duplicates Z: 37 32.942 2.028 0.594 0.753 0.944 0.611 CB 1.434 37 residues pruned to eliminate duplicates Z: 29 26.342 1.959 0.727 0.580 0.964 0.536 CB 1.412 29 residues pruned to eliminate duplicates Z: 41 26.088 1.948 0.674 0.663 0.825 0.525 CB 1.317 41 residues pruned to eliminate duplicates Z: 33 24.011 1.993 0.597 0.692 0.844 0.594 CB 1.326 33 residues pruned to eliminate duplicates Z: 39 31.971 1.980 0.691 0.697 0.921 0.526 CB 1.406 39 residues pruned to eliminate duplicates Z: 37 33.451 2.013 0.721 0.725 0.944 0.417 CB 1.391 37 residues pruned to eliminate duplicates Z: 44 24.013 1.931 0.697 0.638 0.767 0.512 CB 1.279 44 residues pruned to eliminate duplicates Z: 39 30.824 1.962 0.712 0.717 0.868 0.526 CB 1.409 39 residues pruned to eliminate duplicates Z: 40 28.539 1.922 0.682 0.663 0.923 0.538 CB 1.317 40 residues pruned to eliminate duplicates Z: 38 29.650 1.990 0.703 0.704 0.892 0.486 CB 1.340 38 residues pruned to eliminate duplicates Z: 38 34.515 1.989 0.789 0.731 0.946 0.568 CB 1.370 38 residues pruned to eliminate duplicates Z: 40 32.744 2.005 0.719 0.664 0.923 0.538 CB 1.416 40 residues pruned to eliminate duplicates Z: 37 34.534 1.982 0.698 0.734 0.944 0.583 CB 1.468 37 residues pruned to eliminate duplicates Z: 46 33.687 2.019 0.504 0.710 0.933 0.600 CB 1.464 46 residues pruned to eliminate duplicates Z: 6 3.428 1.440 0.681 0.408 0.800 0.800 N 0.872 6 residues pruned to eliminate duplicates Z: 37 32.678 2.027 0.635 0.742 0.917 0.639 CB 1.443 37 residues pruned to eliminate duplicates Z: 36 27.963 1.902 0.706 0.634 0.914 0.571 CB 1.405 36 residues pruned to eliminate duplicates Z: 25 27.272 2.107 0.610 0.703 0.958 0.667 CB 1.424 25 residues pruned to eliminate duplicates Z: 29 30.029 2.032 0.562 0.719 0.964 0.607 CB 1.521 29 residues pruned to eliminate duplicates Z: 38 22.922 1.948 0.615 0.610 0.811 0.459 CB 1.330 38 residues pruned to eliminate duplicates Z: 43 29.368 1.961 0.656 0.632 0.929 0.571 CB 1.327 43 residues pruned to eliminate duplicates Z: 44 26.399 1.948 0.667 0.612 0.930 0.419 CB 1.198 44 residues pruned to eliminate duplicates Z: 40 27.537 2.010 0.610 0.669 0.846 0.538 CB 1.377 40 residues pruned to eliminate duplicates Z: 70 36.352 2.008 0.533 0.638 0.942 0.652 CB 1.325 83 residues pruned to eliminate duplicates Z: 6 2.191 1.357 0.333 0.386 0.800 0.600 CA 0.764 6 residues pruned to eliminate duplicates Z: 27 24.016 2.053 0.559 0.669 0.885 0.731 CB 1.422 27 residues pruned to eliminate duplicates Z: 28 29.311 2.059 0.518 0.701 0.963 0.778 CB 1.561 28 residues pruned to eliminate duplicates Z: 16 23.848 2.069 0.424 0.891 1.000 0.867 CA 1.503 16 residues pruned to eliminate duplicates Z: 27 30.723 2.066 0.664 0.687 0.962 0.769 CB 1.536 27 residues pruned to eliminate duplicates Z: 30 23.408 2.019 0.432 0.603 0.897 0.690 CB 1.521 30 residues pruned to eliminate duplicates Z: 26 29.116 2.096 0.625 0.693 0.960 0.760 CB 1.493 26 residues pruned to eliminate duplicates Z: 27 27.384 2.079 0.611 0.656 0.923 0.577 CB 1.502 27 residues pruned to eliminate duplicates Z: 27 27.232 2.056 0.689 0.671 0.885 0.654 CB 1.485 27 residues pruned to eliminate duplicates Z: 27 29.842 2.071 0.596 0.715 0.962 0.808 CB 1.515 27 residues pruned to eliminate duplicates Z: 28 30.433 2.056 0.623 0.699 0.963 0.741 CB 1.520 28 residues pruned to eliminate duplicates Z: 27 28.841 2.088 0.594 0.692 0.923 0.654 CB 1.544 27 residues pruned to eliminate duplicates Z: 29 26.209 1.979 0.564 0.627 0.929 0.536 CB 1.529 29 residues pruned to eliminate duplicates Z: 27 28.419 2.066 0.603 0.695 0.923 0.731 CB 1.527 27 residues pruned to eliminate duplicates Z: 27 27.662 2.089 0.579 0.679 0.923 0.731 CB 1.511 27 residues pruned to eliminate duplicates Z: 29 28.116 2.052 0.601 0.694 0.893 0.643 CB 1.517 29 residues pruned to eliminate duplicates Z: 26 29.558 2.087 0.606 0.733 0.960 0.760 CB 1.490 26 residues pruned to eliminate duplicates Z: 20 29.791 2.057 0.650 0.799 1.000 0.632 CA 1.550 20 residues pruned to eliminate duplicates Z: 52 31.910 2.037 0.570 0.600 0.902 0.510 CB 1.409 120 residues pruned to eliminate duplicates Z: 27 32.797 2.110 0.727 0.717 0.923 0.692 CB 1.572 Z: 6 9.382 1.689 0.607 0.607 1.000 0.800 CB 1.397 6 residues pruned to eliminate duplicates Z: 32 24.650 1.951 0.570 0.612 0.903 0.548 CB 1.439 32 residues pruned to eliminate duplicates Z: 29 27.607 2.021 0.633 0.677 0.893 0.821 CB 1.505 29 residues pruned to eliminate duplicates Z: 27 31.847 2.090 0.656 0.745 0.962 0.808 CB 1.507 27 residues pruned to eliminate duplicates Z: 6 3.633 1.213 0.676 0.341 1.000 0.400 CA 0.950 Z: 6 3.649 1.879 0.685 0.301 1.000 0.600 CB 0.644 6 residues pruned to eliminate duplicates Z: 12 7.324 1.909 0.693 0.432 0.909 0.545 CB 0.807 18 residues pruned to eliminate duplicates Z: 18 9.540 1.803 0.693 0.347 0.941 0.647 CB 0.951 18 residues pruned to eliminate duplicates Z: 43 39.720 2.162 1.012 0.647 0.929 0.524 CB 1.322 66 residues pruned to eliminate duplicates Z: 6 5.207 1.702 0.960 0.429 0.800 0.800 CB 0.939 Z: 8 4.301 1.256 0.657 0.444 0.857 0.429 N 0.965 8 residues pruned to eliminate duplicates Z: 35 21.551 1.960 0.308 0.577 0.882 0.647 CB 1.518 35 residues pruned to eliminate duplicates Z: 65 32.910 1.984 0.409 0.566 0.938 0.625 CB 1.473 65 residues pruned to eliminate duplicates Z: 17 8.046 1.783 0.290 0.369 0.750 0.375 CB 1.342 17 residues pruned to eliminate duplicates Z: 13 7.204 1.893 0.158 0.352 0.750 0.583 CB 1.485 12 residues pruned to eliminate duplicates Z: 7 5.167 1.765 0.109 0.463 0.833 0.333 CB 1.344 7 residues pruned to eliminate duplicates Z: 28 28.854 2.126 0.546 0.613 0.963 0.630 CB 1.577 28 residues pruned to eliminate duplicates Z: 29 28.580 2.113 0.403 0.637 1.000 0.679 CB 1.603 29 residues pruned to eliminate duplicates Z: 28 25.692 2.123 0.474 0.597 0.963 0.741 CB 1.496 28 residues pruned to eliminate duplicates Z: 31 26.169 2.101 0.603 0.603 0.933 0.500 CB 1.378 31 residues pruned to eliminate duplicates Z: 29 27.030 2.118 0.494 0.608 0.964 0.643 CB 1.510 29 residues pruned to eliminate duplicates Z: 31 26.063 2.083 0.470 0.588 0.967 0.600 CB 1.478 31 residues pruned to eliminate duplicates Z: 29 28.312 2.094 0.590 0.645 0.929 0.607 CB 1.511 29 residues pruned to eliminate duplicates Z: 31 26.317 2.082 0.532 0.588 0.933 0.533 CB 1.484 31 residues pruned to eliminate duplicates Z: 30 26.785 2.081 0.504 0.583 0.966 0.621 CB 1.520 30 residues pruned to eliminate duplicates Z: 30 22.328 2.056 0.522 0.564 0.897 0.655 CB 1.389 30 residues pruned to eliminate duplicates Z: 44 25.590 2.025 0.443 0.531 0.930 0.628 CB 1.393 44 residues pruned to eliminate duplicates Z: 31 21.916 2.053 0.398 0.580 0.900 0.500 CB 1.434 31 residues pruned to eliminate duplicates Z: 30 27.166 2.107 0.495 0.613 0.966 0.690 CB 1.491 30 residues pruned to eliminate duplicates Z: 43 28.243 2.045 0.555 0.528 0.952 0.690 CB 1.399 43 residues pruned to eliminate duplicates Z: 30 26.927 2.101 0.648 0.625 0.897 0.586 CB 1.432 30 residues pruned to eliminate duplicates Z: 31 28.815 2.101 0.660 0.599 0.933 0.467 CB 1.471 31 residues pruned to eliminate duplicates Z: 29 29.517 2.102 0.750 0.646 0.929 0.464 CB 1.425 29 residues pruned to eliminate duplicates Z: 30 27.929 2.112 0.617 0.620 0.931 0.655 CB 1.457 30 residues pruned to eliminate duplicates Z: 29 26.244 2.063 0.824 0.588 0.893 0.607 CB 1.356 29 residues pruned to eliminate duplicates Z: 28 26.802 2.121 0.625 0.649 0.963 0.741 CB 1.353 28 residues pruned to eliminate duplicates Z: 28 27.505 2.133 0.529 0.663 0.926 0.741 CB 1.506 28 residues pruned to eliminate duplicates Z: 28 29.564 2.111 0.721 0.664 0.963 0.741 CB 1.397 28 residues pruned to eliminate duplicates Z: 31 27.042 2.054 0.661 0.617 0.933 0.533 CB 1.388 31 residues pruned to eliminate duplicates Z: 44 29.696 2.039 0.580 0.540 0.884 0.674 CB 1.529 44 residues pruned to eliminate duplicates Z: 7 2.773 1.526 0.136 0.208 0.833 0.333 CB 1.107 7 residues pruned to eliminate duplicates Z: 32 28.392 2.042 0.683 0.637 0.903 0.645 CB 1.446 32 residues pruned to eliminate duplicates Z: 32 26.916 2.046 0.566 0.634 0.968 0.581 CB 1.375 32 residues pruned to eliminate duplicates Z: 48 28.386 1.971 0.536 0.564 0.936 0.617 CB 1.374 47 residues pruned to eliminate duplicates Z: 26 28.059 1.969 0.523 0.819 0.960 0.680 CB 1.477 26 residues pruned to eliminate duplicates Z: 68 42.782 2.058 0.604 0.668 0.910 0.657 CB 1.489 68 residues pruned to eliminate duplicates Z: 59 40.002 2.014 0.616 0.689 0.931 0.569 CB 1.457 80 residues pruned to eliminate duplicates Z: 25 31.879 1.971 0.767 0.840 0.917 0.542 CA 1.522 25 residues pruned to eliminate duplicates Z: 40 31.201 1.980 0.477 0.686 0.923 0.744 CB 1.561 40 residues pruned to eliminate duplicates Z: 70 39.082 2.022 0.521 0.650 0.899 0.565 CB 1.481 70 residues pruned to eliminate duplicates Z: 14 22.097 1.906 0.949 0.809 0.923 0.385 CB 1.365 14 residues pruned to eliminate duplicates Z: 22 36.424 2.075 0.717 0.918 1.000 0.714 CB 1.573 22 residues pruned to eliminate duplicates Z: 71 39.977 2.030 0.504 0.665 0.929 0.600 CB 1.447 71 residues pruned to eliminate duplicates Z: 39 29.467 1.977 0.663 0.623 0.868 0.711 CB 1.491 39 residues pruned to eliminate duplicates Z: 24 34.614 2.053 0.752 0.846 0.957 0.783 CB 1.558 24 residues pruned to eliminate duplicates Z: 69 41.862 2.048 0.610 0.674 0.912 0.632 CB 1.438 69 residues pruned to eliminate duplicates Z: 35 35.739 2.056 0.838 0.763 0.941 0.618 CB 1.365 35 residues pruned to eliminate duplicates Z: 39 28.742 1.981 0.624 0.660 0.921 0.421 CB 1.357 39 residues pruned to eliminate duplicates Z: 20 20.896 2.019 0.581 0.732 0.947 0.737 CB 1.286 20 residues pruned to eliminate duplicates Z: 61 44.202 2.039 0.702 0.682 0.917 0.650 CB 1.518 61 residues pruned to eliminate duplicates Z: 36 31.244 1.999 0.666 0.699 0.886 0.571 CB 1.493 36 residues pruned to eliminate duplicates Z: 54 40.772 2.069 0.604 0.719 0.943 0.566 CB 1.467 50 residues pruned to eliminate duplicates Z: 23 34.986 2.024 0.895 0.918 0.909 0.636 CB 1.509 23 residues pruned to eliminate duplicates Z: 71 44.740 2.036 0.692 0.644 0.943 0.514 CB 1.439 71 residues pruned to eliminate duplicates Z: 62 38.732 2.015 0.707 0.659 0.885 0.508 CB 1.405 62 residues pruned to eliminate duplicates Z: 32 25.249 1.937 0.517 0.650 0.935 0.677 CB 1.435 32 residues pruned to eliminate duplicates Z: 28 31.615 2.013 0.928 0.748 0.889 0.407 CB 1.413 28 residues pruned to eliminate duplicates Z: 103 40.717 1.990 0.535 0.630 0.843 0.549 CB 1.385 103 residues pruned to eliminate duplicates Z: 87 51.018 2.085 0.665 0.685 0.907 0.581 CB 1.474 87 residues pruned to eliminate duplicates Z: 81 43.694 2.041 0.653 0.611 0.913 0.538 CB 1.429 68 residues pruned to eliminate duplicates Z: 6 4.142 1.351 0.823 0.384 1.000 0.200 N 0.851 Z: 36 43.249 2.085 0.814 0.758 1.000 0.457 CB 1.536 42 residues pruned to eliminate duplicates Z: 12 10.226 1.999 0.534 0.421 0.818 0.636 CB 1.334 12 residues pruned to eliminate duplicates Z: 26 22.715 2.053 0.384 0.604 0.960 0.760 CB 1.508 28 residues pruned to eliminate duplicates Z: 17 27.556 2.120 0.401 0.890 1.000 0.875 CB 1.669 17 residues pruned to eliminate duplicates Z: 63 41.468 2.041 0.655 0.634 0.952 0.597 CB 1.444 63 residues pruned to eliminate duplicates Z: 16 33.074 2.125 0.672 0.932 1.000 0.800 CA 1.678 23 residues pruned to eliminate duplicates Z: 16 30.619 2.092 0.681 0.938 1.000 1.000 CB 1.564 16 residues pruned to eliminate duplicates Z: 28 22.526 1.955 0.616 0.474 0.926 0.630 CB 1.522 13 residues pruned to eliminate duplicates Z: 15 29.329 2.165 0.513 0.924 1.000 0.786 CB 1.681 15 residues pruned to eliminate duplicates Z: 34 27.654 2.113 0.535 0.609 0.879 0.697 CB 1.523 34 residues pruned to eliminate duplicates Z: 87 47.742 2.040 0.709 0.662 0.895 0.512 CB 1.419 87 residues pruned to eliminate duplicates Z: 104 44.160 2.000 0.636 0.595 0.893 0.398 CB 1.360 102 residues pruned to eliminate duplicates Z: 14 30.344 2.204 0.818 0.928 1.000 0.538 CB 1.472 14 residues pruned to eliminate duplicates Z: 16 26.437 2.207 0.596 0.797 1.000 0.600 CB 1.494 16 residues pruned to eliminate duplicates Z: 19 19.957 2.066 0.751 0.720 0.778 0.333 CB 1.370 19 residues pruned to eliminate duplicates Z: 55 36.473 2.026 0.632 0.685 0.926 0.370 CB 1.369 55 residues pruned to eliminate duplicates Z: 12 29.583 2.223 0.917 0.919 0.909 0.455 CB 1.622 12 residues pruned to eliminate duplicates Z: 28 21.148 1.962 0.596 0.498 0.926 0.667 CB 1.406 18 residues pruned to eliminate duplicates Z: 16 27.858 2.210 0.783 0.860 0.867 0.533 CB 1.549 16 residues pruned to eliminate duplicates Z: 63 42.533 2.062 0.692 0.649 0.935 0.661 CB 1.441 63 residues pruned to eliminate duplicates Z: 25 25.932 2.072 0.489 0.633 0.958 0.750 CA 1.580 25 residues pruned to eliminate duplicates Z: 11 7.065 1.862 0.466 0.346 0.800 0.400 CB 1.209 11 residues pruned to eliminate duplicates Z: 12 8.026 1.866 0.654 0.380 0.909 0.455 CB 0.980 12 residues pruned to eliminate duplicates Z: 10 11.238 1.936 0.552 0.396 1.000 0.444 CB 1.391 10 residues pruned to eliminate duplicates Z: 10 10.217 1.895 0.826 0.323 0.889 0.667 CB 1.345 10 residues pruned to eliminate duplicates Z: 18 17.113 1.978 0.143 0.740 0.941 0.647 CB 1.573 Z: 18 20.366 1.957 0.450 0.766 0.941 0.647 CB 1.461 18 residues pruned to eliminate duplicates Z: 12 13.672 2.025 0.096 0.919 0.909 0.818 CB 1.440 12 residues pruned to eliminate duplicates Z: 18 23.331 1.956 0.635 0.772 0.941 0.647 CB 1.478 18 residues pruned to eliminate duplicates Z: 17 23.055 1.905 0.636 0.775 0.938 0.375 CB 1.548 18 residues pruned to eliminate duplicates Z: 16 19.178 1.914 0.506 0.800 0.933 0.800 CB 1.415 16 residues pruned to eliminate duplicates Z: 19 23.211 1.908 0.595 0.708 0.944 0.556 CB 1.576 19 residues pruned to eliminate duplicates Z: 15 18.642 1.939 0.404 0.897 0.857 0.500 CB 1.529 15 residues pruned to eliminate duplicates Z: 19 17.673 1.892 0.693 0.657 0.833 0.333 CB 1.349 19 residues pruned to eliminate duplicates Z: 34 23.231 1.908 0.615 0.617 0.879 0.545 CB 1.337 19 residues pruned to eliminate duplicates Z: 16 26.299 1.914 0.853 0.877 0.933 0.733 CB 1.489 16 residues pruned to eliminate duplicates Z: 15 25.629 2.005 0.664 0.914 0.929 0.643 CB 1.563 15 residues pruned to eliminate duplicates Z: 16 29.049 2.011 0.733 0.813 1.000 0.800 CB 1.640 16 residues pruned to eliminate duplicates Z: 20 18.707 1.897 0.703 0.639 0.842 0.526 CB 1.385 20 residues pruned to eliminate duplicates Z: 19 24.301 1.918 0.755 0.752 0.889 0.556 CB 1.529 19 residues pruned to eliminate duplicates Z: 19 24.980 1.914 0.758 0.744 0.944 0.500 CB 1.489 19 residues pruned to eliminate duplicates Z: 17 10.531 1.757 0.403 0.453 0.875 0.438 CB 1.282 17 residues pruned to eliminate duplicates Z: 18 9.012 1.729 0.301 0.455 0.882 0.471 CB 1.153 24 residues pruned to eliminate duplicates Z: 19 12.158 1.727 0.397 0.471 0.944 0.556 CB 1.296 19 residues pruned to eliminate duplicates Z: 18 11.629 1.828 0.429 0.487 0.824 0.706 CB 1.328 20 residues pruned to eliminate duplicates Z: 6 2.041 1.183 0.130 0.304 1.000 0.400 CA 0.849 Z: 6 8.487 1.802 0.664 0.321 1.000 0.600 CB 1.542 6 residues pruned to eliminate duplicates Z: 13 9.211 1.860 0.634 0.322 0.833 0.417 CB 1.277 19 residues pruned to eliminate duplicates Z: 14 11.854 1.713 0.733 0.464 0.923 0.385 CB 1.245 14 residues pruned to eliminate duplicates Z: 6 4.115 1.829 0.576 0.169 0.800 0.400 CA 1.193 6 residues pruned to eliminate duplicates Z: 21 11.577 2.072 0.339 0.405 0.850 0.500 CB 1.212 21 residues pruned to eliminate duplicates Z: 21 14.459 2.109 0.484 0.407 0.800 0.550 CB 1.425 21 residues pruned to eliminate duplicates Z: 20 13.282 2.139 0.328 0.422 0.789 0.421 CB 1.474 20 residues pruned to eliminate duplicates Z: 10 17.060 2.160 0.500 0.699 1.000 0.778 CA 1.464 10 residues pruned to eliminate duplicates Z: 34 23.632 2.084 0.566 0.515 0.848 0.667 CB 1.464 36 residues pruned to eliminate duplicates Z: 7 10.434 2.268 0.102 0.838 0.833 0.833 CA 1.529 7 residues pruned to eliminate duplicates Z: 25 18.271 2.063 0.496 0.390 0.833 0.542 CA 1.630 25 residues pruned to eliminate duplicates Z: 30 16.925 2.053 0.328 0.519 0.828 0.621 CB 1.367 30 residues pruned to eliminate duplicates Z: 29 20.206 2.090 0.414 0.498 0.857 0.536 CB 1.509 29 residues pruned to eliminate duplicates Z: 37 23.118 2.086 0.433 0.508 0.889 0.639 CB 1.439 37 residues pruned to eliminate duplicates Z: 28 22.938 2.128 0.461 0.517 0.926 0.704 CB 1.507 28 residues pruned to eliminate duplicates Z: 29 23.638 2.051 0.614 0.541 0.893 0.571 CB 1.452 29 residues pruned to eliminate duplicates Z: 35 25.292 2.090 0.692 0.483 0.882 0.588 CB 1.415 35 residues pruned to eliminate duplicates Z: 19 15.010 2.001 0.525 0.503 0.889 0.667 CB 1.300 19 residues pruned to eliminate duplicates Z: 16 14.129 2.051 0.479 0.518 0.867 0.733 CB 1.364 16 residues pruned to eliminate duplicates Z: 17 14.734 1.934 0.567 0.510 0.875 0.688 CB 1.375 17 residues pruned to eliminate duplicates Z: 31 13.360 1.922 0.515 0.431 0.733 0.467 CB 1.227 31 residues pruned to eliminate duplicates Z: 35 16.414 2.021 0.540 0.399 0.794 0.588 CB 1.266 35 residues pruned to eliminate duplicates Z: 8 9.714 1.811 0.568 0.739 0.857 0.429 CB 1.218 8 residues pruned to eliminate duplicates Z: 19 14.035 1.916 0.499 0.473 0.889 0.667 CB 1.332 19 residues pruned to eliminate duplicates Z: 42 22.423 2.087 0.435 0.399 0.902 0.585 CB 1.441 40 residues pruned to eliminate duplicates Z: 8 5.949 1.617 0.623 0.486 0.714 0.429 N 1.216 8 residues pruned to eliminate duplicates Z: 40 23.307 2.149 0.563 0.426 0.846 0.385 CB 1.419 48 residues pruned to eliminate duplicates Z: 10 18.825 2.130 0.357 0.652 1.000 0.556 CB 1.885 11 residues pruned to eliminate duplicates Z: 9 17.394 2.066 0.576 0.832 0.875 0.500 N 1.620 9 residues pruned to eliminate duplicates Z: 52 32.213 2.137 0.667 0.478 0.902 0.608 CB 1.435 51 residues pruned to eliminate duplicates Z: 9 20.110 2.038 0.615 0.829 1.000 1.000 CB 1.625 9 residues pruned to eliminate duplicates Z: 56 30.753 2.117 0.665 0.421 0.909 0.636 CB 1.405 56 residues pruned to eliminate duplicates Z: 8 17.692 2.038 0.520 0.769 1.000 0.571 CB 1.700 8 residues pruned to eliminate duplicates Z: 26 20.462 2.178 0.888 0.535 0.800 0.600 CB 1.202 26 residues pruned to eliminate duplicates Z: 26 22.951 2.187 0.728 0.505 0.840 0.560 CB 1.439 26 residues pruned to eliminate duplicates Z: 27 22.581 2.142 0.922 0.471 0.885 0.385 CB 1.252 27 residues pruned to eliminate duplicates Z: 26 19.803 2.179 0.622 0.554 0.840 0.560 CB 1.266 26 residues pruned to eliminate duplicates Z: 26 14.936 2.077 0.587 0.451 0.760 0.320 CB 1.254 26 residues pruned to eliminate duplicates Z: 52 27.897 2.105 0.550 0.457 0.863 0.510 CB 1.450 52 residues pruned to eliminate duplicates Z: 28 23.517 2.156 0.630 0.557 0.889 0.481 CB 1.371 28 residues pruned to eliminate duplicates Z: 28 21.060 2.138 0.742 0.508 0.852 0.593 CB 1.267 28 residues pruned to eliminate duplicates Z: 46 23.076 2.036 0.731 0.428 0.822 0.533 CB 1.279 46 residues pruned to eliminate duplicates Z: 26 24.451 2.158 0.928 0.511 0.880 0.600 CB 1.321 26 residues pruned to eliminate duplicates Z: 17 19.781 2.190 0.710 0.538 0.938 0.625 CB 1.357 17 residues pruned to eliminate duplicates Z: 6 2.322 1.444 0.264 0.377 1.000 0.600 CB 0.649 6 residues pruned to eliminate duplicates Z: 48 29.028 2.087 0.563 0.479 0.915 0.404 CB 1.449 48 residues pruned to eliminate duplicates Z: 13 8.307 1.743 0.454 0.353 0.833 0.500 CA 1.330 13 residues pruned to eliminate duplicates Z: 18 14.464 2.118 0.529 0.463 0.882 0.765 CB 1.275 18 residues pruned to eliminate duplicates Z: 11 11.758 2.086 0.474 0.431 0.800 0.700 N 1.623 11 residues pruned to eliminate duplicates Z: 8 8.285 1.532 0.476 0.649 1.000 0.714 N 1.206 9 residues pruned to eliminate duplicates Z: 6 2.887 1.341 0.479 0.100 1.000 0.400 CA 1.085 7 residues pruned to eliminate duplicates Z: 10 19.144 2.016 0.534 0.681 1.000 0.778 CB 1.747 10 residues pruned to eliminate duplicates Z: 26 15.066 2.016 0.465 0.402 0.760 0.560 CB 1.488 26 residues pruned to eliminate duplicates Z: 12 13.875 1.985 0.576 0.481 0.818 0.273 CB 1.667 12 residues pruned to eliminate duplicates Z: 12 17.649 2.137 0.538 0.599 0.909 0.182 CB 1.621 12 residues pruned to eliminate duplicates Z: 8 21.481 1.953 0.899 0.905 1.000 1.000 N 1.558 8 residues pruned to eliminate duplicates Z: 24 20.137 1.993 0.651 0.504 0.826 0.609 CB 1.538 24 residues pruned to eliminate duplicates Z: 28 17.185 1.951 0.472 0.474 0.815 0.481 CB 1.452 28 residues pruned to eliminate duplicates Z: 23 19.110 2.086 0.592 0.509 0.818 0.364 CB 1.486 23 residues pruned to eliminate duplicates Z: 22 18.383 2.024 0.712 0.436 0.857 0.381 CB 1.443 22 residues pruned to eliminate duplicates Z: 22 20.578 2.111 0.629 0.467 0.857 0.476 CB 1.575 22 residues pruned to eliminate duplicates Z: 23 21.355 2.111 0.695 0.481 0.818 0.545 CB 1.584 23 residues pruned to eliminate duplicates Z: 21 15.946 1.972 0.635 0.402 0.850 0.450 CB 1.442 21 residues pruned to eliminate duplicates Z: 29 18.549 1.935 0.584 0.509 0.857 0.643 CB 1.322 29 residues pruned to eliminate duplicates Z: 11 8.465 1.839 0.688 0.364 0.700 0.700 CB 1.425 11 residues pruned to eliminate duplicates Z: 24 14.466 1.977 0.714 0.480 0.696 0.391 CB 1.305 24 residues pruned to eliminate duplicates Z: 14 9.778 1.881 0.599 0.413 0.692 0.385 CB 1.427 14 residues pruned to eliminate duplicates Z: 17 7.460 1.661 0.380 0.370 0.750 0.438 CB 1.247 17 residues pruned to eliminate duplicates Z: 12 8.844 1.801 0.583 0.300 0.818 0.364 O 1.430 12 residues pruned to eliminate duplicates Z: 27 16.351 1.956 0.412 0.385 0.846 0.423 CB 1.550 27 residues pruned to eliminate duplicates Z: 28 16.343 1.889 0.551 0.481 0.778 0.296 CB 1.407 28 residues pruned to eliminate duplicates Z: 33 20.220 1.803 0.656 0.524 0.844 0.281 CB 1.386 33 residues pruned to eliminate duplicates Z: 10 6.387 1.496 0.263 0.572 0.889 0.444 N 1.182 10 residues pruned to eliminate duplicates Z: 11 7.883 1.526 0.471 0.510 0.800 0.400 N 1.374 11 residues pruned to eliminate duplicates Z: 8 6.285 1.584 0.140 0.592 1.000 0.571 CB 1.205 8 residues pruned to eliminate duplicates Z: 9 8.024 1.660 0.309 0.599 0.875 0.625 N 1.357 9 residues pruned to eliminate duplicates Z: 8 6.312 1.628 0.119 0.587 0.857 0.286 N 1.406 8 residues pruned to eliminate duplicates Z: 10 5.925 1.461 0.131 0.565 1.000 0.667 CB 1.123 10 residues pruned to eliminate duplicates Z: 8 9.379 1.594 0.585 0.719 0.857 0.571 CA 1.343 8 residues pruned to eliminate duplicates Z: 9 7.527 1.577 0.390 0.796 0.750 0.500 N 1.249 9 residues pruned to eliminate duplicates Z: 34 20.443 1.849 0.655 0.553 0.788 0.364 CB 1.403 34 residues pruned to eliminate duplicates Z: 10 11.075 1.845 0.323 0.630 0.889 0.667 CB 1.505 8 residues pruned to eliminate duplicates Z: 13 14.446 1.830 0.144 0.864 1.000 0.750 CB 1.460 13 residues pruned to eliminate duplicates Z: 11 8.860 1.942 0.173 0.495 0.900 0.400 CB 1.373 11 residues pruned to eliminate duplicates Z: 10 8.192 1.936 -0.056 0.579 1.000 0.556 CB 1.384 10 residues pruned to eliminate duplicates Z: 9 11.005 1.928 0.295 0.769 0.875 0.625 CB 1.403 9 residues pruned to eliminate duplicates Z: 10 10.165 1.943 0.155 0.594 1.000 0.778 CB 1.380 10 residues pruned to eliminate duplicates Z: 16 13.153 1.800 0.385 0.747 0.933 0.733 CB 1.169 16 residues pruned to eliminate duplicates Z: 15 13.955 1.835 0.191 0.697 1.000 0.786 CB 1.426 15 residues pruned to eliminate duplicates Z: 14 14.288 1.923 0.287 0.778 1.000 0.615 CB 1.252 14 residues pruned to eliminate duplicates Z: 15 10.844 1.855 0.385 0.761 0.786 0.500 CB 1.139 15 residues pruned to eliminate duplicates Z: 13 16.729 1.908 0.501 0.901 1.000 0.583 CB 1.204 13 residues pruned to eliminate duplicates Z: 14 16.894 1.875 0.500 0.840 1.000 0.615 CB 1.243 14 residues pruned to eliminate duplicates Z: 18 11.953 1.626 0.109 0.929 1.000 0.824 CB 1.125 18 residues pruned to eliminate duplicates Z: 6 3.751 1.390 0.366 0.674 0.800 0.400 N 0.941 5 residues pruned to eliminate duplicates Z: 21 19.479 1.627 0.424 0.916 1.000 0.900 CB 1.328 22 residues pruned to eliminate duplicates Z: 18 13.400 1.626 0.312 0.890 0.941 0.824 CB 1.164 18 residues pruned to eliminate duplicates Z: 17 17.293 1.662 0.455 0.880 1.000 0.750 CB 1.295 17 residues pruned to eliminate duplicates Z: 19 15.563 1.621 0.346 0.922 0.944 0.778 CB 1.252 19 residues pruned to eliminate duplicates Z: 18 15.201 1.664 0.555 0.782 0.941 0.588 CB 1.181 18 residues pruned to eliminate duplicates Z: 11 14.352 1.734 0.698 0.919 1.000 0.900 CB 1.086 11 residues pruned to eliminate duplicates Z: 17 17.169 1.650 0.555 0.892 1.000 0.688 CB 1.202 17 residues pruned to eliminate duplicates Z: 18 15.041 1.684 0.279 0.925 1.000 0.882 CB 1.188 18 residues pruned to eliminate duplicates Z: 17 16.794 1.670 0.487 0.930 1.000 0.875 CB 1.183 17 residues pruned to eliminate duplicates Z: 15 14.936 1.660 0.525 0.882 1.000 0.500 CB 1.141 15 residues pruned to eliminate duplicates Z: 25 15.890 1.588 0.607 0.751 0.958 0.833 CB 1.061 36 residues pruned to eliminate duplicates Z: 13 9.677 1.636 0.567 0.865 0.833 0.417 CB 0.958 13 residues pruned to eliminate duplicates Z: 10 6.468 1.576 0.566 0.472 0.889 0.111 CB 1.011 10 residues pruned to eliminate duplicates Z: 13 9.850 1.542 0.751 0.754 0.833 0.667 CB 1.008 13 residues pruned to eliminate duplicates Z: 12 8.613 1.657 0.846 0.668 0.727 0.545 CB 1.000 12 residues pruned to eliminate duplicates Z: 18 15.362 1.522 0.910 0.764 0.941 0.471 CB 1.078 18 residues pruned to eliminate duplicates Z: 10 14.700 1.711 0.898 0.888 0.889 0.222 CB 1.223 10 residues pruned to eliminate duplicates Z: 19 9.116 1.408 0.576 0.543 0.778 0.222 CB 1.194 19 residues pruned to eliminate duplicates Z: 8 6.603 1.840 0.189 0.525 0.857 0.429 CB 1.299 8 residues pruned to eliminate duplicates Z: 7 7.739 1.724 0.181 0.588 1.000 0.333 CB 1.426 14 residues pruned to eliminate duplicates Z: 6 8.071 1.749 0.174 0.737 1.000 0.600 CA 1.421 Z: 9 4.132 1.669 0.633 0.405 0.750 0.500 CB 0.790 14 residues pruned to eliminate duplicates Z: 13 13.046 1.755 0.848 0.765 0.833 0.583 CB 1.102 13 residues pruned to eliminate duplicates Z: 43 33.606 1.971 0.599 0.728 0.952 0.857 CB 1.406 48 residues pruned to eliminate duplicates Z: 12 14.373 1.818 0.529 0.890 1.000 0.909 CB 1.122 12 residues pruned to eliminate duplicates Z: 35 37.918 2.070 0.603 0.800 0.941 0.853 CB 1.602 35 residues pruned to eliminate duplicates Z: 43 23.913 1.895 0.418 0.660 0.857 0.667 CB 1.381 43 residues pruned to eliminate duplicates Z: 49 30.630 1.944 0.541 0.668 0.917 0.667 CB 1.378 49 residues pruned to eliminate duplicates Z: 36 37.911 2.072 0.669 0.823 0.943 0.829 CB 1.485 36 residues pruned to eliminate duplicates Z: 35 38.395 2.089 0.734 0.828 0.912 0.824 CB 1.502 35 residues pruned to eliminate duplicates Z: 42 35.192 2.003 0.629 0.755 0.951 0.683 CB 1.412 42 residues pruned to eliminate duplicates Z: 38 42.839 2.047 0.733 0.863 0.946 0.811 CB 1.539 37 residues pruned to eliminate duplicates Z: 10 17.165 2.033 0.881 0.782 1.000 0.778 CB 1.167 10 residues pruned to eliminate duplicates Z: 35 40.732 2.082 0.822 0.814 0.941 0.735 CB 1.489 35 residues pruned to eliminate duplicates Z: 43 37.084 2.023 0.650 0.745 0.976 0.810 CB 1.411 43 residues pruned to eliminate duplicates Z: 37 35.961 2.061 0.472 0.822 0.972 0.778 CB 1.537 37 residues pruned to eliminate duplicates Z: 37 34.293 2.019 0.540 0.782 0.972 0.694 CB 1.474 37 residues pruned to eliminate duplicates Z: 37 41.240 2.040 0.674 0.846 1.000 0.806 CB 1.495 37 residues pruned to eliminate duplicates Z: 37 36.603 2.052 0.582 0.817 0.972 0.833 CB 1.469 37 residues pruned to eliminate duplicates Z: 36 42.198 2.070 0.765 0.828 1.000 0.743 CB 1.470 36 residues pruned to eliminate duplicates Z: 46 34.787 1.984 0.580 0.722 0.978 0.711 CB 1.384 46 residues pruned to eliminate duplicates Z: 33 35.222 2.006 0.799 0.807 0.875 0.625 CB 1.509 33 residues pruned to eliminate duplicates Z: 34 38.710 2.098 0.745 0.820 0.970 0.667 CB 1.438 34 residues pruned to eliminate duplicates Z: 39 42.472 2.007 0.779 0.855 0.974 0.658 CB 1.463 39 residues pruned to eliminate duplicates Z: 39 43.769 2.030 0.895 0.835 0.947 0.684 CB 1.460 38 residues pruned to eliminate duplicates Z: 30 34.934 1.975 0.579 0.917 0.966 0.724 CB 1.521 30 residues pruned to eliminate duplicates Z: 44 33.953 2.017 0.752 0.738 0.930 0.535 CB 1.272 44 residues pruned to eliminate duplicates Z: 41 39.648 2.055 0.803 0.772 0.975 0.700 CB 1.365 41 residues pruned to eliminate duplicates Z: 35 40.615 2.086 0.894 0.822 0.941 0.529 CB 1.418 35 residues pruned to eliminate duplicates Z: 22 35.244 2.061 1.014 0.805 0.952 0.619 CB 1.491 22 residues pruned to eliminate duplicates Z: 32 32.757 2.015 0.763 0.797 0.903 0.484 CB 1.414 32 residues pruned to eliminate duplicates Z: 42 38.147 2.044 0.756 0.772 0.976 0.659 CB 1.338 42 residues pruned to eliminate duplicates Z: 36 44.173 2.082 0.893 0.846 0.971 0.829 CB 1.449 38 residues pruned to eliminate duplicates Z: 29 38.633 1.957 0.903 0.926 0.964 0.500 CB 1.426 29 residues pruned to eliminate duplicates Z: 31 29.562 1.946 0.996 0.776 0.833 0.400 CB 1.306 31 residues pruned to eliminate duplicates Z: 37 51.088 2.077 1.058 0.854 0.972 0.611 CB 1.513 53 residues pruned to eliminate duplicates Z: 30 44.518 1.947 1.006 0.934 1.000 0.690 CB 1.477 28 residues pruned to eliminate duplicates Z: 24 34.588 1.988 1.009 0.887 0.870 0.391 CB 1.497 24 residues pruned to eliminate duplicates Z: 39 36.844 1.984 0.850 0.789 0.921 0.447 CB 1.372 39 residues pruned to eliminate duplicates Z: 36 43.640 2.039 0.892 0.821 1.000 0.629 CB 1.448 36 residues pruned to eliminate duplicates Z: 45 33.920 1.975 0.633 0.764 0.932 0.523 CB 1.346 45 residues pruned to eliminate duplicates Z: 43 35.158 1.964 0.698 0.771 0.976 0.476 CB 1.311 43 residues pruned to eliminate duplicates Z: 8 5.696 1.682 0.475 0.481 0.857 0.429 CA 1.032 7 residues pruned to eliminate duplicates Z: 14 12.304 1.679 0.348 0.770 1.000 0.538 CB 1.187 14 residues pruned to eliminate duplicates Z: 15 12.316 1.666 0.486 0.680 1.000 0.500 CB 1.127 15 residues pruned to eliminate duplicates Z: 14 10.663 1.653 0.356 0.800 0.846 0.615 CB 1.201 14 residues pruned to eliminate duplicates Z: 14 12.813 1.698 0.426 0.781 1.000 0.615 CB 1.145 14 residues pruned to eliminate duplicates Z: 16 11.248 1.652 0.386 0.729 0.867 0.800 CB 1.190 16 residues pruned to eliminate duplicates Z: 11 13.386 1.757 0.429 0.824 1.000 0.700 CB 1.273 10 residues pruned to eliminate duplicates Z: 11 13.646 1.777 0.462 0.811 1.000 0.500 CB 1.267 11 residues pruned to eliminate duplicates Z: 11 13.305 1.774 0.630 0.746 0.900 0.500 CB 1.297 11 residues pruned to eliminate duplicates Z: 14 10.441 1.652 0.651 0.692 0.769 0.385 CB 1.158 14 residues pruned to eliminate duplicates Z: 14 9.557 1.642 0.440 0.684 0.923 0.538 CB 1.026 14 residues pruned to eliminate duplicates Z: 13 9.917 1.704 0.339 0.705 0.917 0.667 CB 1.136 13 residues pruned to eliminate duplicates Z: 28 29.511 2.014 0.568 0.717 0.963 0.778 CB 1.534 28 residues pruned to eliminate duplicates Z: 29 21.576 1.944 0.469 0.652 0.929 0.679 CB 1.335 29 residues pruned to eliminate duplicates Z: 27 23.496 2.005 0.456 0.649 0.923 0.654 CB 1.489 27 residues pruned to eliminate duplicates Z: 28 25.820 1.967 0.535 0.669 1.000 0.667 CB 1.408 28 residues pruned to eliminate duplicates Z: 30 22.454 1.935 0.537 0.623 0.931 0.759 CB 1.341 30 residues pruned to eliminate duplicates Z: 28 21.012 1.920 0.489 0.622 0.926 0.741 CA 1.362 28 residues pruned to eliminate duplicates Z: 29 23.351 1.947 0.383 0.683 0.964 0.750 CB 1.436 29 residues pruned to eliminate duplicates Z: 32 22.978 1.937 0.547 0.613 0.935 0.581 CB 1.324 32 residues pruned to eliminate duplicates Z: 26 25.962 2.031 0.565 0.710 0.960 0.920 CB 1.406 26 residues pruned to eliminate duplicates Z: 22 27.140 2.007 0.536 0.734 1.000 0.714 CB 1.557 22 residues pruned to eliminate duplicates Z: 26 27.027 2.002 0.631 0.714 0.960 0.800 CB 1.420 26 residues pruned to eliminate duplicates Z: 30 24.902 1.930 0.630 0.660 0.931 0.828 CB 1.362 30 residues pruned to eliminate duplicates Z: 27 25.655 2.041 0.460 0.688 0.962 0.769 CB 1.478 27 residues pruned to eliminate duplicates Z: 28 26.281 1.994 0.504 0.726 1.000 0.852 CB 1.375 28 residues pruned to eliminate duplicates Z: 43 28.058 1.916 0.662 0.628 0.881 0.571 CB 1.367 55 residues pruned to eliminate duplicates Z: 18 29.338 1.941 0.908 0.887 0.941 0.824 CA 1.472 18 residues pruned to eliminate duplicates Z: 24 23.863 1.921 0.538 0.671 0.957 0.739 CB 1.504 24 residues pruned to eliminate duplicates Z: 27 29.076 2.011 0.653 0.695 0.962 0.692 CB 1.492 27 residues pruned to eliminate duplicates Z: 12 17.260 1.877 0.973 0.789 0.909 0.273 CB 1.199 12 residues pruned to eliminate duplicates Z: 83 40.544 1.937 0.541 0.643 0.915 0.720 CB 1.435 82 residues pruned to eliminate duplicates Z: 12 18.141 1.778 0.775 0.829 1.000 0.273 CB 1.305 12 residues pruned to eliminate duplicates Z: 23 16.046 1.790 0.676 0.601 0.864 0.455 CB 1.199 23 residues pruned to eliminate duplicates Z: 16 14.694 1.811 0.612 0.683 0.933 0.267 CB 1.177 16 residues pruned to eliminate duplicates Z: 24 12.242 1.764 0.537 0.483 0.783 0.261 CB 1.224 24 residues pruned to eliminate duplicates Z: 17 16.528 1.764 0.829 0.582 0.938 0.438 CB 1.263 17 residues pruned to eliminate duplicates Z: 15 17.622 1.853 0.748 0.743 0.857 0.357 CB 1.365 15 residues pruned to eliminate duplicates Z: 19 12.279 1.768 0.626 0.597 0.833 0.556 CB 1.102 19 residues pruned to eliminate duplicates Z: 7 3.430 1.610 0.781 0.245 0.833 0.333 CB 0.787 7 residues pruned to eliminate duplicates Z: 29 21.461 1.852 0.796 0.659 0.929 0.500 CB 1.133 29 residues pruned to eliminate duplicates Z: 24 18.308 1.835 0.722 0.572 0.870 0.478 CB 1.296 24 residues pruned to eliminate duplicates Z: 38 19.333 1.779 0.599 0.565 0.811 0.486 CB 1.294 38 residues pruned to eliminate duplicates Z: 19 15.949 1.894 0.596 0.568 0.889 0.500 CB 1.310 19 residues pruned to eliminate duplicates Z: 29 18.694 1.787 0.609 0.547 0.893 0.464 CB 1.315 29 residues pruned to eliminate duplicates Z: 24 17.752 1.820 0.563 0.603 0.913 0.435 CB 1.292 24 residues pruned to eliminate duplicates Z: 24 13.020 1.767 0.495 0.556 0.826 0.522 CB 1.178 24 residues pruned to eliminate duplicates Z: 11 16.141 1.925 0.802 0.688 0.800 0.400 N 1.547 Z: 12 24.913 1.942 0.883 0.877 1.000 0.727 CB 1.492 23 residues pruned to eliminate duplicates Z: 16 13.511 2.021 0.614 0.586 0.733 0.200 CB 1.343 16 residues pruned to eliminate duplicates Z: 106 60.695 2.271 0.696 0.588 0.914 0.581 CB 1.545 88 residues pruned to eliminate duplicates Z: 12 26.599 2.038 0.836 0.892 0.909 0.364 CB 1.694 12 residues pruned to eliminate duplicates Z: 17 14.256 1.915 0.640 0.501 0.750 0.188 CB 1.511 17 residues pruned to eliminate duplicates Z: 12 18.195 2.079 0.762 0.718 0.909 0.091 CB 1.353 12 residues pruned to eliminate duplicates Z: 54 35.645 2.269 0.628 0.484 0.887 0.491 CB 1.519 54 residues pruned to eliminate duplicates Z: 11 16.361 2.159 0.656 0.627 0.800 0.400 CA 1.605 11 residues pruned to eliminate duplicates Z: 118 65.105 2.268 0.728 0.619 0.889 0.581 CB 1.544 118 residues pruned to eliminate duplicates Z: 52 33.869 2.189 0.682 0.493 0.863 0.451 CB 1.503 52 residues pruned to eliminate duplicates Z: 81 42.859 2.242 0.624 0.455 0.913 0.500 CB 1.510 81 residues pruned to eliminate duplicates Z: 48 29.531 2.229 0.601 0.445 0.872 0.511 CB 1.465 48 residues pruned to eliminate duplicates Z: 119 66.058 2.244 0.728 0.616 0.881 0.661 CB 1.594 59 residues pruned to eliminate duplicates Z: 13 28.670 2.392 0.833 0.706 0.917 0.750 CB 1.709 13 residues pruned to eliminate duplicates Z: 53 35.154 2.236 0.698 0.489 0.865 0.538 CB 1.500 53 residues pruned to eliminate duplicates Z: 61 36.200 2.223 0.603 0.453 0.933 0.500 CB 1.474 61 residues pruned to eliminate duplicates Z: 37 33.503 2.211 0.796 0.596 0.861 0.528 CB 1.490 37 residues pruned to eliminate duplicates Z: 97 51.169 2.280 0.606 0.567 0.885 0.604 CB 1.509 97 residues pruned to eliminate duplicates Z: 63 30.942 2.178 0.576 0.443 0.839 0.516 CB 1.448 63 residues pruned to eliminate duplicates Z: 60 35.894 2.228 0.672 0.455 0.898 0.593 CB 1.462 60 residues pruned to eliminate duplicates Z: 37 30.053 2.253 0.705 0.533 0.833 0.472 CB 1.515 37 residues pruned to eliminate duplicates Z: 52 29.959 2.208 0.646 0.424 0.922 0.490 CB 1.356 52 residues pruned to eliminate duplicates Z: 54 33.055 2.250 0.689 0.466 0.849 0.528 CB 1.456 54 residues pruned to eliminate duplicates Z: 54 36.560 2.198 0.741 0.489 0.887 0.528 CB 1.495 54 residues pruned to eliminate duplicates Z: 101 55.086 2.267 0.604 0.589 0.900 0.660 CB 1.546 101 residues pruned to eliminate duplicates Z: 66 34.521 2.158 0.696 0.447 0.892 0.492 CB 1.385 66 residues pruned to eliminate duplicates Z: 22 12.842 2.139 0.587 0.314 0.762 0.333 CB 1.331 22 residues pruned to eliminate duplicates Z: 118 67.843 2.266 0.691 0.618 0.915 0.667 CB 1.601 118 residues pruned to eliminate duplicates Z: 62 36.396 2.220 0.666 0.456 0.885 0.492 CB 1.488 62 residues pruned to eliminate duplicates Z: 61 37.914 2.204 0.707 0.466 0.917 0.583 CB 1.469 61 residues pruned to eliminate duplicates Z: 63 34.258 2.217 0.656 0.467 0.855 0.435 CB 1.433 63 residues pruned to eliminate duplicates Z: 115 64.514 2.211 0.732 0.602 0.921 0.649 CB 1.555 115 residues pruned to eliminate duplicates Z: 53 34.769 2.213 0.703 0.495 0.846 0.519 CB 1.519 53 residues pruned to eliminate duplicates Z: 58 37.823 2.226 0.690 0.460 0.930 0.544 CB 1.492 58 residues pruned to eliminate duplicates Z: 60 38.460 2.226 0.743 0.467 0.898 0.542 CB 1.486 60 residues pruned to eliminate duplicates Z: 112 59.604 2.216 0.710 0.584 0.883 0.631 CB 1.561 112 residues pruned to eliminate duplicates Z: 61 36.697 2.186 0.710 0.459 0.883 0.433 CB 1.497 61 residues pruned to eliminate duplicates Z: 60 34.622 2.199 0.670 0.463 0.898 0.508 CB 1.419 60 residues pruned to eliminate duplicates Z: 60 37.312 2.167 0.730 0.445 0.932 0.475 CB 1.470 60 residues pruned to eliminate duplicates Z: 54 32.238 2.203 0.627 0.461 0.887 0.509 CB 1.451 54 residues pruned to eliminate duplicates Z: 80 56.875 2.335 0.674 0.594 0.962 0.684 CB 1.555 80 residues pruned to eliminate duplicates Z: 64 34.808 2.181 0.603 0.481 0.873 0.508 CB 1.465 64 residues pruned to eliminate duplicates Z: 63 35.842 2.228 0.658 0.460 0.871 0.435 CB 1.474 63 residues pruned to eliminate duplicates Z: 62 37.585 2.208 0.724 0.459 0.885 0.426 CB 1.489 62 residues pruned to eliminate duplicates Z: 35 19.555 2.123 0.520 0.312 0.912 0.441 CB 1.404 35 residues pruned to eliminate duplicates Z: 53 35.722 2.236 0.697 0.477 0.865 0.577 CB 1.544 53 residues pruned to eliminate duplicates Z: 36 19.134 2.141 0.630 0.306 0.886 0.429 CB 1.298 36 residues pruned to eliminate duplicates Z: 21 8.603 1.800 0.665 0.264 0.900 0.500 CB 0.933 21 residues pruned to eliminate duplicates Z: 18 11.640 1.985 0.681 0.333 0.882 0.471 CB 1.151 18 residues pruned to eliminate duplicates Z: 61 37.462 2.191 0.740 0.462 0.883 0.517 CB 1.493 61 residues pruned to eliminate duplicates Z: 61 37.745 2.231 0.696 0.474 0.883 0.500 CB 1.497 61 residues pruned to eliminate duplicates Z: 63 37.154 2.147 0.818 0.434 0.871 0.387 CB 1.487 63 residues pruned to eliminate duplicates Z: 63 41.826 2.239 0.709 0.487 0.935 0.500 CB 1.504 63 residues pruned to eliminate duplicates Z: 58 31.555 2.151 0.614 0.424 0.860 0.439 CB 1.515 58 residues pruned to eliminate duplicates Z: 117 59.209 2.191 0.644 0.616 0.905 0.612 CB 1.511 117 residues pruned to eliminate duplicates Z: 84 56.553 2.257 0.728 0.617 0.916 0.663 CB 1.556 84 residues pruned to eliminate duplicates Z: 61 55.958 2.245 0.722 0.756 0.933 0.750 CB 1.594 61 residues pruned to eliminate duplicates Z: 59 60.580 2.312 0.808 0.778 0.897 0.741 CB 1.661 59 residues pruned to eliminate duplicates Z: 97 54.759 2.258 0.673 0.560 0.896 0.594 CB 1.558 97 residues pruned to eliminate duplicates Z: 47 61.372 2.303 0.884 0.784 0.957 0.848 CA 1.698 47 residues pruned to eliminate duplicates Z: 96 53.316 2.209 0.637 0.552 0.926 0.568 CB 1.553 96 residues pruned to eliminate duplicates Z: 48 51.276 2.271 0.811 0.768 0.894 0.766 CA 1.605 48 residues pruned to eliminate duplicates Z: 91 59.535 2.253 0.822 0.587 0.889 0.611 CB 1.582 91 residues pruned to eliminate duplicates Z: 51 53.285 2.255 0.843 0.729 0.900 0.680 CB 1.639 51 residues pruned to eliminate duplicates Z: 46 52.628 2.328 0.684 0.806 0.911 0.711 CB 1.682 46 residues pruned to eliminate duplicates Z: 117 70.528 2.252 0.745 0.621 0.931 0.621 CB 1.597 117 residues pruned to eliminate duplicates Z: 59 65.403 2.315 0.876 0.772 0.948 0.741 CB 1.639 59 residues pruned to eliminate duplicates Z: 84 61.333 2.282 0.702 0.649 0.940 0.699 CB 1.605 69 residues pruned to eliminate duplicates Z: 12 28.502 2.246 1.203 0.831 0.818 0.545 CA 1.594 Z: 37 60.621 2.431 0.940 0.792 1.000 0.722 CB 1.658 49 residues pruned to eliminate duplicates Z: 48 55.293 2.294 0.781 0.751 0.957 0.745 CB 1.648 48 residues pruned to eliminate duplicates Z: 61 59.540 2.271 0.912 0.755 0.933 0.617 CB 1.512 61 residues pruned to eliminate duplicates Z: 61 58.214 2.259 0.695 0.753 0.967 0.667 CB 1.620 61 residues pruned to eliminate duplicates Z: 56 64.784 2.264 0.965 0.759 0.964 0.655 CB 1.619 56 residues pruned to eliminate duplicates Z: 49 56.943 2.263 0.922 0.750 0.938 0.750 CB 1.612 49 residues pruned to eliminate duplicates Z: 83 64.951 2.269 0.855 0.644 0.951 0.646 CB 1.565 83 residues pruned to eliminate duplicates Z: 58 58.764 2.238 0.905 0.725 0.912 0.632 CB 1.633 58 residues pruned to eliminate duplicates Z: 50 55.172 2.244 0.967 0.711 0.918 0.612 CB 1.606 50 residues pruned to eliminate duplicates Z: 48 60.569 2.282 0.973 0.762 0.936 0.638 CB 1.661 48 residues pruned to eliminate duplicates Z: 61 66.966 2.272 0.993 0.757 0.917 0.733 CB 1.657 61 residues pruned to eliminate duplicates Z: 58 66.404 2.298 1.044 0.785 0.947 0.667 CB 1.538 58 residues pruned to eliminate duplicates Z: 58 55.522 2.203 0.836 0.740 0.947 0.632 CB 1.547 58 residues pruned to eliminate duplicates Z: 59 70.420 2.293 0.943 0.775 0.983 0.655 CB 1.656 59 residues pruned to eliminate duplicates Z: 47 62.332 2.294 0.988 0.767 0.957 0.804 CA 1.663 47 residues pruned to eliminate duplicates Z: 58 65.935 2.335 0.953 0.795 0.930 0.754 CB 1.591 58 residues pruned to eliminate duplicates Z: 62 65.296 2.278 0.918 0.750 0.951 0.689 CB 1.610 62 residues pruned to eliminate duplicates Z: 46 54.353 2.258 0.871 0.786 0.911 0.778 CB 1.636 46 residues pruned to eliminate duplicates Z: 72 49.562 2.264 0.873 0.541 0.930 0.549 CB 1.433 38 residues pruned to eliminate duplicates Z: 31 48.618 2.279 0.716 0.945 0.967 0.700 CA 1.625 24 residues pruned to eliminate duplicates Z: 31 57.819 2.296 0.899 0.940 1.000 0.733 CB 1.681 31 residues pruned to eliminate duplicates Z: 30 65.535 2.372 0.992 0.953 1.000 0.828 CB 1.772 30 residues pruned to eliminate duplicates Z: 30 65.022 2.320 1.141 0.953 1.000 0.690 CB 1.673 30 residues pruned to eliminate duplicates Z: 119 68.798 2.254 0.851 0.616 0.915 0.534 CB 1.486 119 residues pruned to eliminate duplicates Z: 48 65.573 2.298 1.135 0.763 0.957 0.574 CB 1.612 48 residues pruned to eliminate duplicates Z: 59 55.146 2.251 0.923 0.710 0.897 0.483 CB 1.542 59 residues pruned to eliminate duplicates Z: 116 64.905 2.226 0.832 0.597 0.904 0.383 CB 1.496 116 residues pruned to eliminate duplicates Z: 86 52.066 2.221 0.623 0.593 0.918 0.612 CB 1.562 86 residues pruned to eliminate duplicates Z: 58 75.451 2.343 1.059 0.805 0.982 0.632 CB 1.616 44 residues pruned to eliminate duplicates Z: 14 35.090 2.227 0.941 0.903 0.923 0.692 CB 1.739 14 residues pruned to eliminate duplicates Z: 24 39.647 2.176 0.997 0.730 0.870 0.478 CA 1.778 24 residues pruned to eliminate duplicates Z: 59 65.849 2.275 1.086 0.790 0.948 0.534 CB 1.490 59 residues pruned to eliminate duplicates Z: 60 62.219 2.252 0.981 0.763 0.932 0.441 CB 1.542 60 residues pruned to eliminate duplicates Z: 91 59.869 2.239 0.805 0.641 0.922 0.511 CB 1.485 91 residues pruned to eliminate duplicates Z: 62 67.785 2.303 1.045 0.790 0.951 0.754 CB 1.502 62 residues pruned to eliminate duplicates Z: 92 62.301 2.269 0.890 0.617 0.912 0.560 CB 1.496 92 residues pruned to eliminate duplicates Z: 57 53.747 2.216 1.016 0.710 0.929 0.589 CB 1.431 57 residues pruned to eliminate duplicates Z: 16 20.029 2.045 0.814 0.646 0.800 0.400 CB 1.520 16 residues pruned to eliminate duplicates Z: 65 65.947 2.264 0.976 0.749 0.953 0.484 CB 1.549 65 residues pruned to eliminate duplicates Z: 116 67.857 2.259 0.856 0.607 0.904 0.478 CB 1.508 116 residues pruned to eliminate duplicates Z: 16 18.685 2.076 0.739 0.647 0.867 0.533 CB 1.345 16 residues pruned to eliminate duplicates Z: 61 60.863 2.251 1.032 0.746 0.917 0.500 CB 1.504 61 residues pruned to eliminate duplicates Z: 115 64.531 2.242 0.894 0.610 0.904 0.447 CB 1.419 115 residues pruned to eliminate duplicates Z: 59 59.372 2.257 0.924 0.782 0.966 0.534 CB 1.451 59 residues pruned to eliminate duplicates Z: 14 22.330 2.012 0.818 0.697 1.000 0.769 CB 1.414 14 residues pruned to eliminate duplicates 6 1.986 1.657 0.555 0.304 0.600 0.000 CB 0.714 ? Z: 19 13.671 1.878 0.400 0.529 0.889 0.667 CB 1.339 19 residues pruned to eliminate duplicates Z: 28 18.474 1.816 0.483 0.562 0.963 0.556 CB 1.291 28 residues pruned to eliminate duplicates Z: 26 22.630 1.887 0.634 0.594 0.920 0.640 CB 1.459 22 residues pruned to eliminate duplicates Z: 18 24.074 1.958 0.607 0.743 1.000 0.529 CB 1.492 18 residues pruned to eliminate duplicates Z: 34 19.759 1.835 0.569 0.514 0.879 0.485 CB 1.341 26 residues pruned to eliminate duplicates Z: 14 16.961 1.854 0.402 0.811 0.923 0.846 CB 1.495 14 residues pruned to eliminate duplicates Z: 21 21.990 1.953 0.452 0.688 0.950 0.550 CB 1.536 21 residues pruned to eliminate duplicates Z: 19 19.054 1.989 0.494 0.528 0.944 0.556 CB 1.556 19 residues pruned to eliminate duplicates Z: 22 22.468 1.927 0.594 0.670 0.905 0.429 CB 1.508 22 residues pruned to eliminate duplicates Z: 25 23.263 1.929 0.573 0.631 0.917 0.500 CB 1.510 27 residues pruned to eliminate duplicates Z: 16 28.380 1.881 0.858 0.891 1.000 0.933 CB 1.508 20 residues pruned to eliminate duplicates Z: 16 22.223 1.868 0.640 0.856 0.933 0.467 N 1.480 16 residues pruned to eliminate duplicates Z: 24 20.752 1.853 0.566 0.646 0.957 0.478 CB 1.360 24 residues pruned to eliminate duplicates Z: 26 18.188 1.887 0.600 0.547 0.840 0.560 CB 1.371 26 residues pruned to eliminate duplicates Z: 23 19.684 1.883 0.691 0.635 0.818 0.591 CB 1.419 23 residues pruned to eliminate duplicates Z: 26 20.234 1.920 0.566 0.606 0.840 0.480 CB 1.448 26 residues pruned to eliminate duplicates Z: 21 23.966 1.931 0.596 0.716 0.900 0.550 CB 1.590 21 residues pruned to eliminate duplicates Z: 23 23.183 1.958 0.618 0.657 0.909 0.409 CB 1.483 19 residues pruned to eliminate duplicates Z: 19 22.428 1.819 0.662 0.770 0.944 0.389 CA 1.457 19 residues pruned to eliminate duplicates Z: 25 20.592 1.923 0.703 0.574 0.875 0.500 CB 1.366 23 residues pruned to eliminate duplicates Z: 6 2.199 1.072 0.913 0.430 1.000 0.800 C 0.516 6 residues pruned to eliminate duplicates Z: 93 50.190 2.115 0.705 0.579 0.902 0.663 CB 1.490 93 residues pruned to eliminate duplicates Z: 21 18.645 2.106 0.467 0.596 0.850 0.400 CB 1.449 22 residues pruned to eliminate duplicates Z: 15 16.345 1.774 0.467 0.700 1.000 0.714 CB 1.398 15 residues pruned to eliminate duplicates Z: 31 15.472 1.983 0.299 0.568 0.833 0.433 CB 1.232 34 residues pruned to eliminate duplicates Z: 11 21.307 2.093 0.584 0.779 1.000 0.500 CA 1.589 11 residues pruned to eliminate duplicates Z: 91 57.225 2.173 0.780 0.589 0.911 0.600 CB 1.573 91 residues pruned to eliminate duplicates Z: 12 15.006 1.955 0.306 0.791 0.909 0.727 CB 1.510 12 residues pruned to eliminate duplicates Z: 89 50.237 2.131 0.742 0.546 0.909 0.636 CB 1.517 95 residues pruned to eliminate duplicates Z: 20 18.771 2.139 0.317 0.630 0.947 0.474 CB 1.428 20 residues pruned to eliminate duplicates Z: 22 21.647 2.129 0.401 0.592 0.952 0.429 CB 1.523 22 residues pruned to eliminate duplicates Z: 56 23.555 2.069 0.478 0.437 0.855 0.455 CB 1.297 56 residues pruned to eliminate duplicates Z: 21 17.165 2.131 0.278 0.635 0.900 0.650 CB 1.380 21 residues pruned to eliminate duplicates Z: 87 54.804 2.189 0.816 0.583 0.884 0.581 CB 1.554 96 residues pruned to eliminate duplicates Z: 6 7.280 1.917 0.570 0.355 1.000 1.000 CB 1.265 6 residues pruned to eliminate duplicates Z: 48 25.187 2.126 0.530 0.416 0.894 0.574 CB 1.380 48 residues pruned to eliminate duplicates Z: 143 71.390 2.186 0.717 0.639 0.887 0.683 CB 1.578 194 residues pruned to eliminate duplicates Z: 8 10.094 1.975 0.954 0.484 0.714 0.571 CB 1.405 8 residues pruned to eliminate duplicates Z: 68 48.111 2.154 0.850 0.561 0.910 0.657 CB 1.527 68 residues pruned to eliminate duplicates Z: 72 51.791 2.161 0.857 0.587 0.901 0.648 CB 1.563 72 residues pruned to eliminate duplicates Z: 31 21.930 2.169 0.791 0.290 0.867 0.467 CB 1.505 31 residues pruned to eliminate duplicates Z: 30 18.703 2.135 0.658 0.340 0.828 0.483 CB 1.412 30 residues pruned to eliminate duplicates Z: 28 15.823 2.167 0.660 0.234 0.889 0.370 CB 1.298 28 residues pruned to eliminate duplicates Z: 32 21.119 2.110 0.620 0.322 0.903 0.581 CB 1.494 32 residues pruned to eliminate duplicates Z: 65 54.774 2.233 0.824 0.609 0.938 0.641 CB 1.618 65 residues pruned to eliminate duplicates Z: 87 54.424 2.178 0.789 0.578 0.907 0.663 CB 1.541 87 residues pruned to eliminate duplicates Z: 46 27.487 2.135 0.585 0.425 0.889 0.533 CB 1.472 47 residues pruned to eliminate duplicates Z: 9 11.343 2.199 0.469 0.427 0.750 0.250 CA 1.786 9 residues pruned to eliminate duplicates Z: 28 22.009 2.164 0.714 0.327 0.926 0.519 CB 1.491 28 residues pruned to eliminate duplicates Z: 72 48.953 2.120 0.672 0.614 0.944 0.662 CA 1.559 72 residues pruned to eliminate duplicates Z: 69 49.771 2.133 0.816 0.558 0.971 0.632 CB 1.518 69 residues pruned to eliminate duplicates Z: 100 54.150 2.128 0.663 0.594 0.919 0.636 CB 1.529 94 residues pruned to eliminate duplicates Z: 6 3.286 1.801 -0.128 0.442 0.800 0.600 CB 1.242 6 residues pruned to eliminate duplicates Z: 63 51.044 2.198 0.866 0.566 0.919 0.645 CB 1.613 63 residues pruned to eliminate duplicates Z: 30 20.862 2.069 0.696 0.316 0.931 0.483 CB 1.453 30 residues pruned to eliminate duplicates Z: 72 51.673 2.150 0.736 0.600 0.958 0.676 CA 1.560 72 residues pruned to eliminate duplicates Z: 50 52.276 2.161 0.860 0.735 0.959 0.755 CB 1.568 50 residues pruned to eliminate duplicates Z: 46 42.687 2.108 1.002 0.633 0.867 0.600 CB 1.535 46 residues pruned to eliminate duplicates Z: 45 54.175 2.201 0.960 0.722 0.977 0.750 CA 1.586 45 residues pruned to eliminate duplicates Z: 47 49.576 2.182 0.937 0.699 0.913 0.739 CA 1.580 47 residues pruned to eliminate duplicates Z: 70 57.335 2.176 0.907 0.622 0.928 0.681 CA 1.599 70 residues pruned to eliminate duplicates Z: 46 56.754 2.232 1.072 0.716 0.911 0.644 CA 1.651 46 residues pruned to eliminate duplicates Z: 95 53.833 2.123 0.722 0.596 0.904 0.606 CB 1.533 95 residues pruned to eliminate duplicates Z: 47 47.633 2.142 0.972 0.652 0.913 0.717 CA 1.581 47 residues pruned to eliminate duplicates Z: 44 48.559 2.142 0.919 0.793 0.907 0.791 CA 1.536 44 residues pruned to eliminate duplicates Z: 46 51.448 2.131 0.986 0.783 0.933 0.756 CA 1.514 46 residues pruned to eliminate duplicates Z: 49 55.483 2.143 1.015 0.746 0.958 0.688 CA 1.553 49 residues pruned to eliminate duplicates Z: 50 55.327 2.143 1.152 0.753 0.898 0.653 CA 1.523 50 residues pruned to eliminate duplicates Z: 45 64.827 2.216 1.198 0.729 0.977 0.636 CB 1.671 45 residues pruned to eliminate duplicates Z: 40 50.500 2.220 1.065 0.746 0.897 0.667 CB 1.577 40 residues pruned to eliminate duplicates Z: 65 56.604 2.212 1.010 0.598 0.906 0.562 CA 1.599 65 residues pruned to eliminate duplicates Z: 46 47.906 2.100 0.982 0.729 0.911 0.711 CA 1.533 46 residues pruned to eliminate duplicates Z: 50 56.355 2.154 1.099 0.759 0.939 0.796 CA 1.508 50 residues pruned to eliminate duplicates Z: 45 56.800 2.140 1.054 0.794 0.955 0.591 CB 1.577 45 residues pruned to eliminate duplicates Z: 38 57.776 2.212 1.097 0.797 0.973 0.703 CA 1.622 38 residues pruned to eliminate duplicates Z: 45 54.897 2.128 1.098 0.780 0.932 0.568 CB 1.554 45 residues pruned to eliminate duplicates Z: 44 58.292 2.233 1.187 0.751 0.907 0.651 CB 1.604 44 residues pruned to eliminate duplicates Z: 41 50.423 2.146 1.035 0.792 0.875 0.600 CA 1.615 41 residues pruned to eliminate duplicates Z: 43 63.808 2.183 1.198 0.809 0.976 0.714 CB 1.606 43 residues pruned to eliminate duplicates Z: 44 38.870 2.079 0.980 0.704 0.837 0.535 CB 1.429 44 residues pruned to eliminate duplicates Z: 42 51.816 2.154 1.254 0.720 0.902 0.634 CB 1.514 42 residues pruned to eliminate duplicates Z: 43 51.532 2.230 1.091 0.733 0.857 0.643 CB 1.613 43 residues pruned to eliminate duplicates Z: 44 57.746 2.194 1.252 0.745 0.907 0.488 CB 1.579 44 residues pruned to eliminate duplicates Z: 50 62.966 2.137 1.199 0.773 0.939 0.510 CB 1.602 50 residues pruned to eliminate duplicates Z: 46 60.345 2.132 1.147 0.775 0.956 0.489 CB 1.613 46 residues pruned to eliminate duplicates Z: 47 58.338 2.169 1.057 0.769 0.935 0.478 CB 1.625 47 residues pruned to eliminate duplicates Z: 51 59.627 2.127 1.108 0.758 0.940 0.560 CB 1.590 51 residues pruned to eliminate duplicates Z: 48 55.214 2.110 1.084 0.765 0.894 0.489 CB 1.620 48 residues pruned to eliminate duplicates Z: 46 60.668 2.152 1.161 0.787 0.956 0.578 CB 1.581 46 residues pruned to eliminate duplicates Z: 46 50.025 2.162 1.126 0.704 0.889 0.444 CB 1.516 46 residues pruned to eliminate duplicates Z: 39 55.754 2.173 1.234 0.797 0.947 0.342 CB 1.517 39 residues pruned to eliminate duplicates Z: 51 55.220 2.123 1.229 0.720 0.900 0.440 CB 1.502 51 residues pruned to eliminate duplicates Z: 45 56.587 2.161 1.086 0.791 0.932 0.591 CB 1.574 45 residues pruned to eliminate duplicates Z: 19 31.109 1.895 1.153 0.826 0.944 0.778 CA 1.435 19 residues pruned to eliminate duplicates Z: 17 31.982 1.914 1.132 0.883 0.938 0.688 CB 1.511 17 residues pruned to eliminate duplicates Z: 23 26.688 1.891 0.887 0.805 0.818 0.455 CB 1.493 23 residues pruned to eliminate duplicates Z: 10 13.655 1.842 0.729 0.882 0.889 0.778 CA 1.163 10 residues pruned to eliminate duplicates Z: 17 19.503 1.880 0.784 0.845 0.750 0.438 CB 1.441 17 residues pruned to eliminate duplicates Z: 45 59.994 2.109 1.336 0.791 0.909 0.545 CB 1.564 45 residues pruned to eliminate duplicates Z: 10 8.783 1.478 0.862 0.720 0.778 0.667 CB 1.121 10 residues pruned to eliminate duplicates Z: 10 9.359 1.703 0.725 0.586 0.778 0.333 CA 1.257 10 residues pruned to eliminate duplicates Z: 9 11.093 1.591 0.857 0.665 0.875 0.250 N 1.302 9 residues pruned to eliminate duplicates Z: 70 54.477 2.077 1.012 0.651 0.913 0.609 CB 1.494 70 residues pruned to eliminate duplicates Z: 69 51.059 2.112 0.842 0.668 0.882 0.632 CA 1.545 69 residues pruned to eliminate duplicates Z: 59 57.424 2.175 0.915 0.711 0.931 0.724 CA 1.606 59 residues pruned to eliminate duplicates Z: 12 10.445 1.619 0.902 0.555 0.727 0.273 CB 1.333 12 residues pruned to eliminate duplicates Z: 57 53.417 2.206 1.030 0.700 0.875 0.696 CA 1.519 57 residues pruned to eliminate duplicates Z: 104 69.839 2.263 0.822 0.624 0.913 0.602 CB 1.627 104 residues pruned to eliminate duplicates Z: 49 59.626 2.296 0.942 0.743 0.979 0.812 CA 1.586 49 residues pruned to eliminate duplicates Z: 91 65.953 2.245 0.949 0.566 0.911 0.633 CB 1.636 91 residues pruned to eliminate duplicates Z: 80 56.026 2.205 0.714 0.595 0.949 0.747 CB 1.605 80 residues pruned to eliminate duplicates Z: 102 70.066 2.253 0.860 0.612 0.931 0.653 CB 1.607 102 residues pruned to eliminate duplicates Z: 50 64.368 2.279 1.072 0.760 0.959 0.714 CA 1.612 50 residues pruned to eliminate duplicates Z: 50 58.886 2.289 0.965 0.754 0.959 0.735 CA 1.556 50 residues pruned to eliminate duplicates Z: 75 59.751 2.264 0.908 0.580 0.946 0.581 CA 1.575 75 residues pruned to eliminate duplicates Z: 101 69.703 2.272 0.881 0.614 0.900 0.730 CB 1.627 101 residues pruned to eliminate duplicates Z: 85 57.058 2.168 0.792 0.611 0.940 0.726 CB 1.533 54 residues pruned to eliminate duplicates Z: 13 32.529 2.385 0.764 0.917 1.000 1.000 CA 1.574 13 residues pruned to eliminate duplicates Z: 42 58.471 2.298 1.149 0.715 0.976 0.707 CA 1.560 42 residues pruned to eliminate duplicates Z: 103 72.848 2.258 0.875 0.603 0.951 0.725 CB 1.624 103 residues pruned to eliminate duplicates Z: 53 59.953 2.256 0.977 0.738 0.904 0.731 CA 1.667 53 residues pruned to eliminate duplicates Z: 50 60.215 2.296 0.970 0.761 0.939 0.735 CA 1.606 50 residues pruned to eliminate duplicates Z: 87 56.508 2.186 0.803 0.558 0.907 0.616 CB 1.611 87 residues pruned to eliminate duplicates Z: 40 59.748 2.355 1.052 0.800 0.974 0.821 CA 1.563 40 residues pruned to eliminate duplicates Z: 22 43.780 2.374 1.176 0.642 0.952 0.476 CB 1.700 22 residues pruned to eliminate duplicates Z: 44 63.689 2.275 1.154 0.781 0.977 0.744 CA 1.583 44 residues pruned to eliminate duplicates Z: 62 54.413 2.146 0.941 0.736 0.902 0.738 CB 1.501 62 residues pruned to eliminate duplicates Z: 50 59.103 2.247 1.033 0.713 0.939 0.714 CA 1.623 50 residues pruned to eliminate duplicates Z: 88 65.775 2.285 0.890 0.581 0.931 0.575 CB 1.623 88 residues pruned to eliminate duplicates Z: 44 56.379 2.287 0.942 0.768 1.000 0.767 CA 1.526 44 residues pruned to eliminate duplicates Z: 40 50.330 2.253 0.908 0.737 1.000 0.744 CA 1.517 40 residues pruned to eliminate duplicates Z: 84 59.942 2.208 0.859 0.595 0.964 0.651 CB 1.519 84 residues pruned to eliminate duplicates Z: 95 64.682 2.247 0.825 0.608 0.926 0.617 CB 1.586 95 residues pruned to eliminate duplicates Z: 93 62.403 2.284 0.766 0.597 0.880 0.598 CA 1.670 93 residues pruned to eliminate duplicates Z: 99 64.055 2.257 0.820 0.554 0.929 0.592 CB 1.609 99 residues pruned to eliminate duplicates Z: 43 67.329 2.263 1.268 0.795 0.976 0.881 CA 1.601 43 residues pruned to eliminate duplicates Z: 61 55.202 2.115 0.849 0.747 0.933 0.700 CB 1.566 61 residues pruned to eliminate duplicates Z: 71 66.125 2.274 1.038 0.635 0.943 0.729 CA 1.595 71 residues pruned to eliminate duplicates Z: 31 47.447 2.218 0.955 0.865 0.933 0.800 CA 1.568 31 residues pruned to eliminate duplicates Z: 93 72.084 2.277 0.891 0.596 0.967 0.652 CB 1.646 93 residues pruned to eliminate duplicates Z: 93 74.628 2.274 1.003 0.619 0.935 0.609 CB 1.634 93 residues pruned to eliminate duplicates Z: 59 63.633 2.182 1.039 0.768 0.966 0.776 CB 1.534 59 residues pruned to eliminate duplicates Z: 102 73.526 2.262 0.929 0.601 0.941 0.584 CB 1.619 63 residues pruned to eliminate duplicates Z: 30 54.529 2.199 1.090 0.896 0.966 0.759 CB 1.635 30 residues pruned to eliminate duplicates Z: 27 49.859 2.190 1.217 0.896 0.923 0.538 CB 1.563 27 residues pruned to eliminate duplicates Z: 115 73.944 2.209 0.909 0.622 0.921 0.684 CB 1.589 101 residues pruned to eliminate duplicates Z: 30 57.197 2.218 1.033 0.940 1.000 0.690 CA 1.635 30 residues pruned to eliminate duplicates Z: 95 66.351 2.258 0.835 0.594 0.926 0.521 CB 1.632 95 residues pruned to eliminate duplicates Z: 81 58.202 2.170 0.906 0.572 0.938 0.663 CB 1.565 81 residues pruned to eliminate duplicates Z: 46 71.981 2.269 1.347 0.785 0.978 0.467 CB 1.603 59 residues pruned to eliminate duplicates Z: 30 54.537 2.161 1.143 0.921 0.931 0.483 CB 1.653 30 residues pruned to eliminate duplicates Z: 30 57.134 2.186 1.209 0.906 0.966 0.517 CB 1.619 30 residues pruned to eliminate duplicates Z: 44 72.604 2.311 1.210 0.794 0.977 0.581 CB 1.715 44 residues pruned to eliminate duplicates Z: 83 67.464 2.201 1.006 0.647 0.951 0.500 CB 1.547 71 residues pruned to eliminate duplicates Z: 29 52.483 2.180 1.138 0.923 0.929 0.464 CB 1.610 29 residues pruned to eliminate duplicates Z: 55 44.930 2.065 1.062 0.737 0.852 0.370 CB 1.363 55 residues pruned to eliminate duplicates Z: 59 59.794 2.136 1.231 0.746 0.931 0.448 CB 1.420 59 residues pruned to eliminate duplicates Z: 59 58.753 2.150 1.075 0.779 0.914 0.603 CB 1.479 58 residues pruned to eliminate duplicates Z: 11 12.225 1.769 0.595 0.831 0.800 0.500 CB 1.286 11 residues pruned to eliminate duplicates Z: 9 8.697 1.830 0.448 0.677 1.000 0.500 CB 0.986 9 residues pruned to eliminate duplicates Z: 56 59.549 2.192 1.200 0.763 0.891 0.364 CB 1.480 56 residues pruned to eliminate duplicates Z: 13 14.359 1.884 0.330 0.828 1.000 0.833 CB 1.246 14 residues pruned to eliminate duplicates Z: 12 15.592 1.933 0.475 0.913 1.000 0.818 CB 1.167 12 residues pruned to eliminate duplicates Z: 11 14.280 1.931 0.620 0.882 0.900 0.700 CB 1.160 11 residues pruned to eliminate duplicates Z: 11 16.198 1.926 0.583 0.891 1.000 0.700 CB 1.208 11 residues pruned to eliminate duplicates Z: 17 11.720 1.783 0.355 0.690 0.938 0.562 CB 1.088 17 residues pruned to eliminate duplicates Z: 109 64.978 2.199 0.874 0.627 0.926 0.444 CB 1.454 109 residues pruned to eliminate duplicates Z: 12 12.371 1.871 0.461 0.791 0.909 0.545 CB 1.162 12 residues pruned to eliminate duplicates Z: 13 9.842 1.739 0.259 0.769 1.000 0.417 CB 1.022 13 residues pruned to eliminate duplicates Z: 13 6.334 1.516 0.644 0.396 0.750 0.417 CA 1.092 5 residues pruned to eliminate duplicates Z: 11 13.618 1.856 0.748 0.762 0.900 0.700 CA 1.169 7 residues pruned to eliminate duplicates Z: 10 16.518 1.924 0.538 0.895 1.000 0.778 CA 1.334 10 residues pruned to eliminate duplicates Z: 104 67.471 2.246 0.753 0.617 0.942 0.670 CA 1.605 104 residues pruned to eliminate duplicates Z: 98 55.644 2.148 0.675 0.658 0.918 0.691 CB 1.479 98 residues pruned to eliminate duplicates Z: 57 30.468 2.072 0.578 0.509 0.893 0.536 CB 1.382 14 residues pruned to eliminate duplicates Z: 12 20.207 1.909 0.836 0.815 1.000 0.818 CA 1.322 12 residues pruned to eliminate duplicates Z: 98 64.913 2.244 0.735 0.615 0.948 0.701 CB 1.601 98 residues pruned to eliminate duplicates Z: 98 72.081 2.278 0.871 0.604 0.959 0.670 CB 1.622 98 residues pruned to eliminate duplicates Z: 105 68.971 2.225 0.813 0.624 0.933 0.683 CA 1.599 105 residues pruned to eliminate duplicates Z: 29 29.470 2.184 0.751 0.611 0.857 0.393 CB 1.529 29 residues pruned to eliminate duplicates Z: 27 22.816 2.050 0.662 0.547 0.846 0.500 CB 1.483 27 residues pruned to eliminate duplicates Z: 96 61.020 2.227 0.830 0.547 0.916 0.516 CB 1.603 53 residues pruned to eliminate duplicates Z: 7 6.079 1.492 0.489 0.603 1.000 0.333 O 1.013 7 residues pruned to eliminate duplicates Z: 95 62.991 2.236 0.731 0.579 0.957 0.606 CB 1.625 90 residues pruned to eliminate duplicates Z: 15 19.710 2.026 0.349 0.739 1.000 0.786 CB 1.556 15 residues pruned to eliminate duplicates Z: 96 71.494 2.263 0.888 0.583 0.958 0.695 CB 1.655 97 residues pruned to eliminate duplicates Z: 13 23.957 2.102 0.503 0.836 1.000 0.750 CA 1.638 13 residues pruned to eliminate duplicates Z: 72 36.437 2.176 0.659 0.398 0.887 0.493 CB 1.504 101 residues pruned to eliminate duplicates Z: 89 66.456 2.249 0.886 0.604 0.909 0.670 CB 1.664 89 residues pruned to eliminate duplicates Z: 92 73.052 2.287 0.935 0.603 0.945 0.604 CB 1.661 92 residues pruned to eliminate duplicates Z: 49 32.729 2.204 0.649 0.397 0.896 0.583 CB 1.617 49 residues pruned to eliminate duplicates Z: 94 65.150 2.265 0.826 0.604 0.892 0.656 CA 1.658 94 residues pruned to eliminate duplicates Z: 24 30.683 2.225 0.648 0.570 1.000 0.478 CB 1.631 24 residues pruned to eliminate duplicates Z: 25 29.783 2.125 0.817 0.533 0.958 0.542 CB 1.592 25 residues pruned to eliminate duplicates Z: 93 68.270 2.258 0.832 0.597 0.967 0.772 CB 1.622 93 residues pruned to eliminate duplicates Z: 34 33.174 2.128 0.669 0.575 0.970 0.667 CB 1.561 34 residues pruned to eliminate duplicates Z: 19 13.123 2.196 0.620 0.386 0.778 0.444 CB 1.262 19 residues pruned to eliminate duplicates Z: 98 62.740 2.247 0.798 0.584 0.938 0.670 CB 1.550 98 residues pruned to eliminate duplicates Z: 101 71.739 2.263 0.834 0.621 0.950 0.710 CB 1.623 100 residues pruned to eliminate duplicates Z: 8 4.521 1.525 0.621 0.329 0.714 0.429 CB 1.168 8 residues pruned to eliminate duplicates Z: 93 72.488 2.280 0.846 0.614 0.967 0.652 CB 1.666 93 residues pruned to eliminate duplicates Z: 7 3.789 1.752 0.446 0.246 0.833 0.500 CB 0.983 7 residues pruned to eliminate duplicates Z: 94 62.595 2.246 0.763 0.582 0.935 0.656 CA 1.619 94 residues pruned to eliminate duplicates Z: 103 75.467 2.254 0.919 0.603 0.961 0.686 CB 1.630 103 residues pruned to eliminate duplicates Z: 71 65.445 2.282 0.898 0.640 0.943 0.729 CB 1.681 71 residues pruned to eliminate duplicates Z: 41 26.232 2.203 0.578 0.406 0.875 0.525 CB 1.504 41 residues pruned to eliminate duplicates Z: 101 67.323 2.238 0.793 0.584 0.940 0.650 CA 1.647 101 residues pruned to eliminate duplicates Z: 91 71.893 2.290 0.879 0.604 0.956 0.711 CB 1.670 91 residues pruned to eliminate duplicates Z: 63 62.757 2.351 0.940 0.593 0.968 0.774 CA 1.652 63 residues pruned to eliminate duplicates Z: 94 64.643 2.274 0.752 0.609 0.935 0.656 CA 1.621 94 residues pruned to eliminate duplicates Z: 116 65.169 2.184 0.682 0.612 0.957 0.661 CB 1.555 116 residues pruned to eliminate duplicates Z: 53 36.784 2.241 0.631 0.429 0.962 0.577 CB 1.563 53 residues pruned to eliminate duplicates Z: 70 58.293 2.308 0.874 0.599 0.913 0.710 CA 1.617 70 residues pruned to eliminate duplicates Z: 100 63.639 2.207 0.834 0.567 0.919 0.596 CB 1.612 100 residues pruned to eliminate duplicates Z: 92 69.624 2.296 0.875 0.591 0.945 0.747 CA 1.645 92 residues pruned to eliminate duplicates Z: 50 32.007 2.207 0.673 0.372 0.898 0.490 CB 1.581 50 residues pruned to eliminate duplicates Z: 96 66.034 2.273 0.808 0.572 0.926 0.653 CB 1.660 96 residues pruned to eliminate duplicates Z: 72 63.763 2.324 0.978 0.571 0.944 0.718 CA 1.628 72 residues pruned to eliminate duplicates Z: 10 10.134 2.043 0.286 0.512 0.889 0.556 CB 1.429 10 residues pruned to eliminate duplicates Z: 9 9.743 2.119 0.152 0.497 0.875 0.750 CB 1.616 9 residues pruned to eliminate duplicates Z: 10 10.001 1.978 0.190 0.452 1.000 0.667 CB 1.488 10 residues pruned to eliminate duplicates Z: 11 8.491 1.856 0.263 0.466 0.900 0.600 CB 1.318 11 residues pruned to eliminate duplicates Z: 10 9.706 2.022 0.292 0.507 0.889 0.556 CB 1.383 10 residues pruned to eliminate duplicates Z: 10 9.859 2.014 0.359 0.533 0.889 0.444 CB 1.308 10 residues pruned to eliminate duplicates Z: 8 12.957 2.115 0.301 0.609 1.000 0.571 CB 1.605 8 residues pruned to eliminate duplicates Z: 11 6.984 1.919 0.160 0.431 0.900 0.700 CB 1.184 11 residues pruned to eliminate duplicates Z: 6 5.149 2.053 -0.093 0.401 1.000 0.800 CB 1.373 Z: 7 3.979 1.254 0.624 0.334 1.000 0.333 C 0.957 Z: 13 13.846 1.980 0.295 0.711 1.000 0.833 CA 1.287 Z: 12 23.704 2.102 0.823 0.722 0.909 0.818 CB 1.678 12 residues pruned to eliminate duplicates Z: 8 26.325 2.028 1.275 0.887 1.000 0.714 CB 1.555 8 residues pruned to eliminate duplicates Z: 9 25.828 2.013 1.446 0.835 1.000 0.250 CB 1.390 13 residues pruned to eliminate duplicates Z: 8 20.309 2.195 1.252 0.857 0.857 0.571 CB 1.334 9 residues pruned to eliminate duplicates Z: 9 22.593 2.053 1.088 0.853 1.000 0.125 CB 1.377 9 residues pruned to eliminate duplicates Z: 8 22.964 1.934 1.544 0.866 1.000 0.143 CB 1.292 7 residues pruned to eliminate duplicates Z: 9 19.540 2.023 1.254 0.830 0.875 0.625 CB 1.302 9 residues pruned to eliminate duplicates Z: 9 19.192 2.264 1.424 0.764 0.750 0.250 CB 1.305 9 residues pruned to eliminate duplicates Z: 70 51.727 2.227 0.813 0.658 0.913 0.623 CB 1.459 86 residues pruned to eliminate duplicates Z: 30 27.601 2.218 0.836 0.546 0.897 0.379 CB 1.342 Z: 6 6.966 1.972 0.516 0.436 0.800 0.800 CB 1.391 6 residues pruned to eliminate duplicates Z: 30 25.328 2.123 0.697 0.545 0.931 0.552 CB 1.342 30 residues pruned to eliminate duplicates Z: 16 9.715 1.886 0.527 0.299 0.867 0.533 CB 1.258 16 residues pruned to eliminate duplicates Z: 16 14.578 1.999 0.675 0.353 0.933 0.800 CB 1.413 16 residues pruned to eliminate duplicates Z: 16 17.029 2.146 0.616 0.507 0.933 0.867 CB 1.349 16 residues pruned to eliminate duplicates Z: 29 24.378 2.214 0.787 0.524 0.893 0.500 CB 1.274 29 residues pruned to eliminate duplicates Z: 17 17.871 2.074 0.609 0.527 0.938 0.750 CB 1.391 17 residues pruned to eliminate duplicates Z: 21 16.374 2.034 0.865 0.436 0.800 0.400 CB 1.289 21 residues pruned to eliminate duplicates Z: 10 6.388 1.806 0.238 0.580 0.889 0.333 CB 0.992 10 residues pruned to eliminate duplicates Z: 25 21.546 2.193 0.668 0.565 0.875 0.667 CB 1.291 25 residues pruned to eliminate duplicates Z: 15 15.747 2.149 0.538 0.518 0.929 0.571 CB 1.347 15 residues pruned to eliminate duplicates Z: 35 24.788 2.091 0.789 0.515 0.882 0.529 CB 1.269 35 residues pruned to eliminate duplicates Z: 11 6.985 1.602 0.431 0.605 0.900 0.600 CA 0.969 11 residues pruned to eliminate duplicates Z: 10 7.119 1.714 0.659 0.480 0.667 0.444 CB 1.277 10 residues pruned to eliminate duplicates Z: 11 10.195 1.862 0.609 0.453 0.800 0.400 N 1.412 11 residues pruned to eliminate duplicates Z: 9 10.018 1.866 0.317 0.630 0.875 0.375 CB 1.458 9 residues pruned to eliminate duplicates Z: 9 6.747 1.806 0.347 0.543 0.750 0.375 N 1.254 9 residues pruned to eliminate duplicates Z: 20 10.391 1.965 0.334 0.442 0.737 0.474 CB 1.311 20 residues pruned to eliminate duplicates Z: 23 12.123 1.902 0.280 0.411 0.955 0.500 CB 1.220 29 residues pruned to eliminate duplicates 6 1.878 1.223 0.682 0.272 0.800 0.400 CA 0.661 ? Z: 6 4.918 1.572 0.473 0.382 1.000 0.600 CB 1.078 6 residues pruned to eliminate duplicates Z: 31 13.169 1.876 0.375 0.490 0.967 0.633 CB 0.974 31 residues pruned to eliminate duplicates Z: 15 7.668 1.919 0.214 0.414 0.929 0.500 CB 1.037 15 residues pruned to eliminate duplicates Z: 52 24.161 1.932 0.542 0.554 0.863 0.471 CB 1.249 52 residues pruned to eliminate duplicates Z: 44 18.904 1.954 0.412 0.489 0.953 0.628 CB 1.108 44 residues pruned to eliminate duplicates Z: 25 12.042 1.972 0.372 0.503 0.833 0.542 CB 1.087 25 residues pruned to eliminate duplicates Z: 13 10.539 1.875 0.536 0.499 0.750 0.667 CB 1.410 13 residues pruned to eliminate duplicates Z: 42 14.146 1.914 0.492 0.486 0.829 0.561 CB 0.946 42 residues pruned to eliminate duplicates Z: 7 12.043 1.923 0.627 0.706 1.000 0.833 CB 1.303 7 residues pruned to eliminate duplicates Z: 60 30.835 2.005 0.681 0.542 0.966 0.492 CB 1.183 60 residues pruned to eliminate duplicates Z: 41 16.333 1.896 0.396 0.461 0.900 0.625 CB 1.128 41 residues pruned to eliminate duplicates Z: 27 13.769 1.908 0.588 0.434 0.769 0.385 CB 1.240 27 residues pruned to eliminate duplicates Z: 47 26.247 2.009 0.595 0.522 0.935 0.565 CB 1.264 47 residues pruned to eliminate duplicates Z: 25 16.125 1.953 0.595 0.470 0.875 0.583 CB 1.244 25 residues pruned to eliminate duplicates Z: 24 14.034 1.968 0.541 0.432 0.870 0.522 CB 1.190 24 residues pruned to eliminate duplicates Z: 55 32.224 1.980 0.678 0.525 0.981 0.500 CB 1.312 54 residues pruned to eliminate duplicates Z: 6 3.610 1.565 0.029 0.460 1.000 0.600 CB 1.044 6 residues pruned to eliminate duplicates Z: 48 22.712 1.975 0.586 0.479 0.894 0.532 CB 1.208 48 residues pruned to eliminate duplicates Z: 44 26.059 2.029 0.642 0.536 0.907 0.628 CB 1.269 44 residues pruned to eliminate duplicates Z: 48 25.485 1.959 0.604 0.492 0.915 0.574 CB 1.304 48 residues pruned to eliminate duplicates Z: 56 24.360 1.996 0.532 0.501 0.873 0.600 CB 1.231 56 residues pruned to eliminate duplicates Z: 25 15.600 1.987 0.550 0.446 0.875 0.542 CB 1.249 25 residues pruned to eliminate duplicates Z: 46 21.758 1.952 0.528 0.470 0.911 0.578 CB 1.231 46 residues pruned to eliminate duplicates Z: 72 28.116 2.002 0.526 0.498 0.859 0.606 CB 1.273 72 residues pruned to eliminate duplicates Z: 52 29.586 2.002 0.628 0.502 0.941 0.549 CB 1.348 52 residues pruned to eliminate duplicates Z: 51 32.920 2.038 0.706 0.550 0.940 0.640 CB 1.355 51 residues pruned to eliminate duplicates Z: 38 27.996 2.029 0.657 0.526 0.973 0.541 CB 1.371 38 residues pruned to eliminate duplicates Z: 63 31.042 2.007 0.654 0.517 0.919 0.548 CB 1.270 63 residues pruned to eliminate duplicates Z: 66 27.891 1.983 0.632 0.489 0.877 0.523 CB 1.233 66 residues pruned to eliminate duplicates Z: 50 19.699 1.934 0.529 0.468 0.878 0.571 CB 1.120 50 residues pruned to eliminate duplicates Z: 30 28.111 2.033 0.662 0.583 0.966 0.655 CB 1.478 30 residues pruned to eliminate duplicates Z: 19 27.742 2.043 0.759 0.792 1.000 0.722 CB 1.408 19 residues pruned to eliminate duplicates Z: 45 26.227 1.985 0.617 0.529 0.909 0.523 CB 1.317 45 residues pruned to eliminate duplicates Z: 44 25.100 2.010 0.570 0.493 0.930 0.698 CB 1.313 44 residues pruned to eliminate duplicates Z: 33 22.489 1.899 0.644 0.527 0.906 0.594 CB 1.368 33 residues pruned to eliminate duplicates Z: 33 21.697 1.951 0.694 0.509 0.875 0.469 CB 1.315 33 residues pruned to eliminate duplicates Z: 46 28.705 2.030 0.674 0.521 0.933 0.533 CB 1.321 46 residues pruned to eliminate duplicates Z: 50 28.045 2.007 0.648 0.529 0.939 0.592 CB 1.254 50 residues pruned to eliminate duplicates Z: 29 27.173 1.981 0.882 0.586 0.929 0.536 CB 1.366 29 residues pruned to eliminate duplicates Z: 46 22.268 1.958 0.608 0.525 0.911 0.467 CB 1.129 46 residues pruned to eliminate duplicates Z: 30 27.304 1.993 0.818 0.587 0.931 0.552 CB 1.383 30 residues pruned to eliminate duplicates Z: 19 21.177 2.033 0.885 0.617 0.944 0.444 CB 1.235 19 residues pruned to eliminate duplicates Z: 44 22.318 1.961 0.612 0.521 0.907 0.488 CB 1.162 44 residues pruned to eliminate duplicates Z: 51 25.212 1.986 0.684 0.528 0.820 0.600 CB 1.264 51 residues pruned to eliminate duplicates Z: 47 25.763 1.983 0.624 0.537 0.913 0.587 CB 1.246 47 residues pruned to eliminate duplicates Z: 51 22.914 2.011 0.469 0.512 0.840 0.500 CB 1.291 51 residues pruned to eliminate duplicates Z: 52 26.815 1.963 0.724 0.562 0.882 0.608 CB 1.184 52 residues pruned to eliminate duplicates Z: 29 23.541 2.035 0.809 0.602 0.857 0.607 CB 1.280 29 residues pruned to eliminate duplicates Z: 46 26.455 2.004 0.727 0.541 0.889 0.489 CB 1.232 46 residues pruned to eliminate duplicates Z: 12 12.946 1.959 0.592 0.476 0.909 0.545 CB 1.410 12 residues pruned to eliminate duplicates Z: 33 27.338 1.942 0.703 0.619 0.875 0.656 CB 1.493 33 residues pruned to eliminate duplicates Z: 47 27.862 1.974 0.578 0.543 0.957 0.609 CB 1.322 47 residues pruned to eliminate duplicates Z: 44 28.103 2.019 0.672 0.546 0.977 0.605 CB 1.242 44 residues pruned to eliminate duplicates Z: 31 25.858 1.978 0.725 0.590 0.867 0.433 CB 1.466 31 residues pruned to eliminate duplicates Z: 14 10.481 1.881 0.495 0.382 0.846 0.462 CB 1.386 14 residues pruned to eliminate duplicates Z: 64 28.929 1.996 0.591 0.530 0.889 0.635 CB 1.254 64 residues pruned to eliminate duplicates Z: 11 5.729 1.607 0.066 0.495 0.900 0.700 CB 1.182 6 residues pruned to eliminate duplicates 6 1.896 1.479 0.294 0.276 0.600 0.200 CB 0.952 ? Z: 10 4.633 1.477 0.205 0.803 0.778 0.778 CB 0.856 10 residues pruned to eliminate duplicates Z: 35 15.623 1.827 0.527 0.429 0.824 0.382 CB 1.254 35 residues pruned to eliminate duplicates Z: 8 6.750 1.542 0.471 0.626 1.000 0.571 CB 0.999 8 residues pruned to eliminate duplicates Z: 8 5.126 1.486 0.483 0.763 0.857 0.714 CB 0.812 8 residues pruned to eliminate duplicates Z: 9 5.760 1.470 0.362 0.577 0.875 0.250 CB 1.080 8 residues pruned to eliminate duplicates Z: 9 6.670 1.485 0.490 0.859 1.000 0.625 CB 0.784 10 residues pruned to eliminate duplicates Z: 7 7.560 1.592 0.734 0.848 1.000 0.500 CB 0.829 7 residues pruned to eliminate duplicates Z: 7 6.710 1.558 0.864 0.853 1.000 0.833 CB 0.697 7 residues pruned to eliminate duplicates 1107 residues left after pruning, divided into chains as follows: A: 6 B: 10 C: 26 D: 11 E: 7 F: 6 G: 37 H: 34 I: 10 J: 53 K: 27 L: 112 M: 32 N: 6 O: 57 P: 34 Q: 15 R: 35 S: 14 T: 86 U: 113 V: 30 W: 101 X: 83 Y: 32 Z: 106 Z: 9 Z: 8 Z: 7 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 33.05 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 3 used as input for final density modification = 0.300, Contrast = 0.495, Connect. = 0.734 for dens.mod. cycle 1 = 0.300, Contrast = 0.564, Connect. = 0.753 for dens.mod. cycle 2 = 0.300, Contrast = 0.664, Connect. = 0.783 for dens.mod. cycle 3 = 0.300, Contrast = 0.669, Connect. = 0.783 for dens.mod. cycle 4 = 0.300, Contrast = 0.676, Connect. = 0.783 for dens.mod. cycle 5 = 0.300, Contrast = 0.679, Connect. = 0.784 for dens.mod. cycle 6 = 0.300, Contrast = 0.683, Connect. = 0.785 for dens.mod. cycle 7 = 0.300, Contrast = 0.685, Connect. = 0.786 for dens.mod. cycle 8 = 0.300, Contrast = 0.687, Connect. = 0.787 for dens.mod. cycle 9 = 0.300, Contrast = 0.687, Connect. = 0.787 for dens.mod. cycle 10 TimeTaking 335.47