null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + 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: ./2anu-2.3-parrot-hancs/2anu-2.3-parrot-hancs.phi -a -n -t20 Cell and symmetry only from ./2anu-2.3-parrot-hancs/2anu-2.3-parrot-hancs.ins Phases from ./2anu-2.3-parrot-hancs/2anu-2.3-parrot-hancs.phi Native data from ./2anu-2.3-parrot-hancs/2anu-2.3-parrot-hancs.hkl Listing output to ./2anu-2.3-parrot-hancs/2anu-2.3-parrot-hancs.lst Phases output to ./2anu-2.3-parrot-hancs/2anu-2.3-parrot-hancs.phs Poly-Ala trace output to ./2anu-2.3-parrot-hancs/2anu-2.3-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: H 3 Allowed origin shift code: 8 78583 Reflections read from file ./2anu-2.3-parrot-hancs/2anu-2.3-parrot-hancs.phi 78583 Reflections read from file ./2anu-2.3-parrot-hancs/2anu-2.3-parrot-hancs.hkl 78583 Unique data, highest resolution = 2.300 Angstroms Anisotropic scaling: intensities multiplied by -0.000021h^2 -0.000021k^2 +0.000005l^2 +0.000000kl +0.000000hl -0.000021hk 44 Reflections with d > 2.500 and 0 in range 2.500 > d > 2.300 added Density sharpening factor set to 0.30 Fourier grid = 256 x 256 x 167 0.000 <= z <= 0.333 92 Point spherical net set up with radius 2.42A 24 Extra Fourier layers will be generated <|E^2-1|> = 0.698 = 0.300, Contrast = 0.541, Connect. = 0.747 for dens.mod. cycle 1 = 0.300, Contrast = 0.615, Connect. = 0.752 for dens.mod. cycle 2 = 0.300, Contrast = 0.745, Connect. = 0.776 for dens.mod. cycle 3 = 0.300, Contrast = 0.782, Connect. = 0.787 for dens.mod. cycle 4 = 0.300, Contrast = 0.800, Connect. = 0.793 for dens.mod. cycle 5 = 0.300, Contrast = 0.808, Connect. = 0.797 for dens.mod. cycle 6 = 0.300, Contrast = 0.812, Connect. = 0.800 for dens.mod. cycle 7 = 0.300, Contrast = 0.814, Connect. = 0.801 for dens.mod. cycle 8 = 0.300, Contrast = 0.815, Connect. = 0.802 for dens.mod. cycle 9 = 0.300, Contrast = 0.815, Connect. = 0.803 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 5222 peaks > 0.5 sigma used to seed fragment search Space for about 2008 unique residues taking solvent into account 1386 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 7 7.102 1.812 0.625 0.346 0.833 0.333 CB 1.397 B: 14 22.762 2.020 0.847 0.857 1.000 0.846 CA 1.247 C: 43 37.073 2.071 0.816 0.553 0.952 0.476 CB 1.518 14 residues pruned to eliminate duplicates D: 12 24.172 2.142 0.853 0.848 1.000 0.818 CA 1.362 12 residues pruned to eliminate duplicates E: 14 20.012 2.001 0.719 0.853 0.923 0.846 CA 1.292 14 residues pruned to eliminate duplicates F: 13 33.382 2.100 1.064 0.872 1.000 0.750 CA 1.621 13 residues pruned to eliminate duplicates G: 14 31.644 2.072 1.176 0.841 1.000 0.846 CA 1.452 H: 14 24.112 1.898 1.090 0.857 1.000 0.846 CA 1.243 14 residues pruned to eliminate duplicates I: 12 20.134 2.071 0.605 0.907 1.000 1.000 CA 1.298 J: 13 23.111 1.997 0.968 0.828 1.000 0.750 CA 1.278 12 residues pruned to eliminate duplicates K: 15 30.756 1.937 1.302 0.808 1.000 0.786 CB 1.410 15 residues pruned to eliminate duplicates L: 12 24.928 2.002 1.105 0.862 1.000 0.727 CA 1.309 M: 14 27.432 2.045 1.104 0.789 0.923 0.846 CA 1.486 14 residues pruned to eliminate duplicates N: 13 26.643 2.128 0.832 0.879 1.000 0.833 CA 1.431 13 residues pruned to eliminate duplicates O: 6 3.933 1.709 0.589 0.286 0.600 0.400 N 1.374 P: 40 42.936 2.091 1.171 0.556 0.923 0.538 CB 1.553 14 residues pruned to eliminate duplicates Q: 13 29.910 2.096 1.099 0.833 1.000 0.833 CA 1.472 13 residues pruned to eliminate duplicates R: 11 17.326 2.086 1.070 0.871 0.900 0.800 CB 1.028 S: 24 37.373 2.022 1.039 0.867 1.000 0.783 CA 1.382 T: 12 19.868 1.994 0.752 0.861 1.000 0.818 CA 1.260 12 residues pruned to eliminate duplicates U: 64 31.815 1.897 0.664 0.565 0.921 0.698 CB 1.295 V: 14 30.961 2.040 1.363 0.841 0.923 0.538 CB 1.440 14 residues pruned to eliminate duplicates W: 23 36.049 2.038 0.974 0.892 0.909 0.682 CA 1.510 23 residues pruned to eliminate duplicates X: 15 28.811 1.944 1.202 0.815 1.000 0.857 CA 1.368 15 residues pruned to eliminate duplicates Y: 13 32.850 2.063 1.290 0.880 1.000 0.583 CA 1.455 13 residues pruned to eliminate duplicates Z: 24 27.799 2.005 0.476 0.865 1.000 0.957 CA 1.435 Z: 12 25.115 2.006 0.893 0.876 1.000 0.818 CA 1.449 Z: 44 38.386 2.040 1.164 0.462 0.884 0.465 CB 1.560 Z: 29 26.758 1.988 0.661 0.695 0.893 0.679 CB 1.435 26 residues pruned to eliminate duplicates Z: 23 30.837 2.021 0.846 0.838 0.909 0.409 CB 1.450 23 residues pruned to eliminate duplicates Z: 12 16.795 2.049 0.380 0.845 1.000 0.727 CA 1.331 12 residues pruned to eliminate duplicates Z: 13 24.861 2.079 0.782 0.884 0.917 0.833 CB 1.527 13 residues pruned to eliminate duplicates Z: 14 28.812 2.044 1.135 0.790 1.000 0.538 CB 1.419 14 residues pruned to eliminate duplicates Z: 10 15.334 2.055 0.789 0.925 1.000 1.000 CB 0.976 Z: 14 27.274 1.956 1.019 0.892 1.000 0.923 CA 1.376 14 residues pruned to eliminate duplicates Z: 43 39.150 2.071 1.050 0.489 0.929 0.619 CA 1.550 13 residues pruned to eliminate duplicates Z: 41 25.434 1.931 0.901 0.512 0.925 0.575 CB 1.171 Z: 12 22.206 1.945 0.937 0.899 1.000 0.909 CA 1.271 13 residues pruned to eliminate duplicates Z: 13 22.319 1.873 1.125 0.857 0.917 0.750 CA 1.301 11 residues pruned to eliminate duplicates Z: 10 15.436 1.952 0.886 0.895 1.000 0.889 CB 1.002 Z: 14 21.832 2.010 1.026 0.503 0.923 0.385 CB 1.607 14 residues pruned to eliminate duplicates Z: 13 15.962 1.943 0.555 0.841 0.917 0.833 CA 1.241 13 residues pruned to eliminate duplicates Z: 21 24.808 1.988 0.485 0.861 0.950 0.900 CA 1.453 21 residues pruned to eliminate duplicates Z: 25 26.053 1.919 0.679 0.821 0.917 0.792 CA 1.364 25 residues pruned to eliminate duplicates Z: 13 24.336 1.912 1.011 0.877 1.000 0.917 CB 1.328 13 residues pruned to eliminate duplicates Z: 12 28.846 2.061 1.220 0.868 1.000 0.636 CA 1.390 12 residues pruned to eliminate duplicates Z: 24 33.935 2.028 0.777 0.875 1.000 0.870 CA 1.428 24 residues pruned to eliminate duplicates Z: 11 18.777 2.009 0.959 0.921 1.000 0.900 CB 1.062 11 residues pruned to eliminate duplicates Z: 36 23.087 1.878 0.823 0.522 0.914 0.429 CB 1.220 36 residues pruned to eliminate duplicates Z: 22 35.237 2.032 1.008 0.882 0.905 0.571 CB 1.507 22 residues pruned to eliminate duplicates Z: 12 19.433 2.006 0.946 0.885 1.000 0.727 CB 1.084 12 residues pruned to eliminate duplicates Z: 7 9.104 1.649 1.348 0.368 1.000 0.500 CB 1.106 Z: 13 21.743 1.988 0.953 0.848 1.000 0.917 CA 1.200 13 residues pruned to eliminate duplicates Z: 41 32.102 1.982 0.846 0.647 0.950 0.650 CB 1.273 Z: 13 27.287 2.038 1.263 0.822 1.000 0.667 CA 1.292 13 residues pruned to eliminate duplicates Z: 24 26.673 2.034 0.425 0.887 1.000 0.957 CA 1.384 24 residues pruned to eliminate duplicates Z: 38 25.940 1.926 0.979 0.527 0.946 0.595 CB 1.151 36 residues pruned to eliminate duplicates Z: 23 25.409 1.979 0.453 0.842 1.000 0.727 CB 1.404 Z: 15 15.521 1.807 0.716 0.843 0.929 0.929 CA 1.073 Z: 23 34.446 2.030 0.884 0.889 0.955 0.727 CA 1.449 23 residues pruned to eliminate duplicates Z: 24 37.465 1.994 0.992 0.894 1.000 0.739 CA 1.411 24 residues pruned to eliminate duplicates Z: 6 2.673 1.767 0.710 0.626 0.400 0.400 CB 0.878 Z: 22 28.300 1.995 0.548 0.869 1.000 0.810 CA 1.461 23 residues pruned to eliminate duplicates Z: 12 26.063 2.096 0.968 0.878 1.000 0.909 CA 1.382 12 residues pruned to eliminate duplicates Z: 36 18.169 1.845 0.518 0.433 0.886 0.629 CB 1.327 Z: 24 35.242 1.974 1.097 0.863 0.957 0.522 CB 1.362 24 residues pruned to eliminate duplicates Z: 14 24.645 2.021 0.927 0.819 1.000 0.846 CA 1.330 14 residues pruned to eliminate duplicates Z: 49 29.076 1.967 0.634 0.544 0.917 0.688 CB 1.363 Z: 24 37.131 1.947 1.037 0.886 1.000 0.609 CA 1.408 24 residues pruned to eliminate duplicates Z: 14 27.245 2.032 1.106 0.837 1.000 0.615 CA 1.321 14 residues pruned to eliminate duplicates Z: 15 26.424 1.924 1.115 0.868 1.000 0.857 CA 1.269 15 residues pruned to eliminate duplicates Z: 23 32.718 1.946 0.839 0.848 1.000 0.773 CA 1.446 23 residues pruned to eliminate duplicates Z: 46 31.325 1.960 0.694 0.564 0.933 0.622 CB 1.416 49 residues pruned to eliminate duplicates Z: 43 32.563 1.965 0.963 0.477 0.905 0.571 CA 1.473 12 residues pruned to eliminate duplicates Z: 12 13.301 2.018 0.425 0.893 0.909 0.545 CB 1.101 11 residues pruned to eliminate duplicates Z: 22 32.835 2.050 0.839 0.878 1.000 0.667 CB 1.379 22 residues pruned to eliminate duplicates Z: 12 25.790 2.018 1.037 0.934 1.000 0.909 CA 1.320 12 residues pruned to eliminate duplicates Z: 12 23.954 1.882 1.337 0.872 1.000 0.818 CB 1.197 Z: 20 28.762 2.049 0.603 0.908 1.000 0.737 CA 1.427 20 residues pruned to eliminate duplicates Z: 24 38.460 1.997 0.996 0.884 1.000 0.783 CB 1.453 25 residues pruned to eliminate duplicates Z: 14 20.082 1.857 0.813 0.859 0.923 0.769 CA 1.318 11 residues pruned to eliminate duplicates Z: 7 11.940 1.829 0.904 0.816 0.833 0.333 CA 1.276 7 residues pruned to eliminate duplicates Z: 6 14.941 1.890 1.038 0.844 0.800 0.600 CA 1.613 6 residues pruned to eliminate duplicates Z: 8 9.495 1.772 0.958 0.645 0.857 0.429 CB 1.054 8 residues pruned to eliminate duplicates Z: 23 35.637 1.996 0.834 0.898 1.000 0.773 CB 1.485 23 residues pruned to eliminate duplicates Z: 18 17.965 1.913 1.033 0.378 0.882 0.529 CB 1.447 18 residues pruned to eliminate duplicates Z: 24 24.522 1.925 0.580 0.890 0.957 0.783 CA 1.264 24 residues pruned to eliminate duplicates Z: 24 37.855 2.031 0.894 0.854 1.000 0.826 CA 1.516 27 residues pruned to eliminate duplicates Z: 11 14.930 1.928 0.924 0.926 1.000 0.800 CB 0.893 Z: 13 28.826 2.037 1.199 0.907 1.000 0.917 CA 1.321 13 residues pruned to eliminate duplicates Z: 12 26.246 1.914 1.334 0.892 1.000 0.818 CB 1.272 12 residues pruned to eliminate duplicates Z: 11 14.406 1.916 0.969 0.901 0.900 0.800 CB 0.958 11 residues pruned to eliminate duplicates Z: 23 40.771 2.059 1.105 0.878 0.955 0.682 CB 1.525 23 residues pruned to eliminate duplicates Z: 14 13.198 1.737 0.321 0.853 1.000 0.846 CA 1.179 Z: 31 29.891 2.032 0.617 0.692 0.933 0.733 CB 1.492 31 residues pruned to eliminate duplicates Z: 13 21.927 1.921 1.013 0.880 1.000 0.833 CA 1.186 13 residues pruned to eliminate duplicates Z: 18 13.334 1.710 0.889 0.394 0.882 0.588 CB 1.269 Z: 23 35.033 2.040 1.054 0.871 0.909 0.591 CB 1.430 23 residues pruned to eliminate duplicates Z: 13 20.112 1.838 0.991 0.769 0.917 0.667 CA 1.364 13 residues pruned to eliminate duplicates Z: 13 19.066 1.833 0.861 0.900 0.917 0.750 CB 1.257 Z: 23 20.353 1.863 0.342 0.868 1.000 0.818 CA 1.269 23 residues pruned to eliminate duplicates Z: 23 35.807 2.041 0.859 0.874 1.000 0.727 CA 1.465 23 residues pruned to eliminate duplicates Z: 24 35.540 1.968 0.974 0.857 1.000 0.652 CB 1.405 24 residues pruned to eliminate duplicates Z: 7 12.666 1.788 1.025 0.780 0.833 0.833 CA 1.339 7 residues pruned to eliminate duplicates Z: 14 16.434 1.732 0.819 0.859 1.000 0.769 CA 1.064 14 residues pruned to eliminate duplicates Z: 6 7.292 1.809 0.939 0.535 0.800 0.600 CB 1.122 Z: 13 27.536 1.995 1.156 0.886 0.917 0.917 CB 1.455 15 residues pruned to eliminate duplicates Z: 23 23.846 1.944 0.621 0.846 0.909 0.591 CB 1.319 23 residues pruned to eliminate duplicates Z: 24 29.365 1.894 0.868 0.824 0.957 0.783 CB 1.367 Z: 49 29.340 1.886 0.767 0.565 0.917 0.688 CB 1.301 13 residues pruned to eliminate duplicates Z: 45 29.878 1.892 0.626 0.695 0.909 0.773 CB 1.347 45 residues pruned to eliminate duplicates Z: 7 7.542 1.854 1.033 0.466 0.667 0.500 N 1.268 6 residues pruned to eliminate duplicates Z: 14 21.415 1.854 0.778 0.877 1.000 0.769 CB 1.309 14 residues pruned to eliminate duplicates Z: 20 14.960 1.914 0.692 0.362 0.947 0.526 CB 1.298 Z: 21 28.488 1.925 0.657 0.887 1.000 0.750 CB 1.439 21 residues pruned to eliminate duplicates Z: 12 18.724 2.003 0.478 0.872 1.000 0.909 CA 1.390 12 residues pruned to eliminate duplicates Z: 24 30.216 1.867 0.714 0.885 1.000 0.783 CB 1.421 24 residues pruned to eliminate duplicates Z: 32 39.499 2.086 0.894 0.737 1.000 0.774 CB 1.451 23 residues pruned to eliminate duplicates Z: 13 24.897 2.057 0.817 0.820 1.000 0.917 CA 1.457 13 residues pruned to eliminate duplicates Z: 12 29.637 2.036 1.246 0.861 1.000 0.727 CB 1.436 12 residues pruned to eliminate duplicates Z: 29 16.771 1.879 0.487 0.384 0.929 0.643 CB 1.382 Z: 23 28.908 2.023 0.577 0.877 0.955 0.818 CB 1.470 23 residues pruned to eliminate duplicates Z: 24 33.741 2.048 0.830 0.841 0.913 0.739 CA 1.533 24 residues pruned to eliminate duplicates Z: 23 26.718 1.984 0.714 0.842 0.955 0.591 CB 1.307 23 residues pruned to eliminate duplicates Z: 12 18.458 1.971 1.129 0.852 1.000 0.818 CB 0.981 12 residues pruned to eliminate duplicates Z: 46 24.657 1.827 0.550 0.579 0.956 0.600 CB 1.258 28 residues pruned to eliminate duplicates Z: 13 32.133 1.899 1.570 0.866 1.000 0.750 CB 1.391 13 residues pruned to eliminate duplicates Z: 13 21.468 2.005 0.830 0.799 0.917 0.917 CA 1.419 13 residues pruned to eliminate duplicates Z: 12 21.390 1.897 1.036 0.894 1.000 1.000 CB 1.198 12 residues pruned to eliminate duplicates Z: 13 12.291 1.523 0.962 0.827 0.833 0.583 CA 1.074 Z: 24 38.435 2.032 0.986 0.841 1.000 0.783 CA 1.482 24 residues pruned to eliminate duplicates Z: 23 28.993 2.014 0.573 0.874 1.000 0.818 CA 1.421 23 residues pruned to eliminate duplicates Z: 55 32.388 1.945 0.915 0.491 0.833 0.574 CB 1.433 55 residues pruned to eliminate duplicates Z: 24 27.134 1.992 0.572 0.891 1.000 0.957 CA 1.299 24 residues pruned to eliminate duplicates Z: 46 25.833 1.911 0.744 0.503 0.889 0.711 CB 1.296 46 residues pruned to eliminate duplicates Z: 40 25.103 1.961 0.652 0.477 0.897 0.615 CA 1.415 13 residues pruned to eliminate duplicates Z: 14 22.040 1.899 1.075 0.833 1.000 0.769 CA 1.164 14 residues pruned to eliminate duplicates Z: 12 19.565 1.965 0.625 0.846 0.909 0.818 CB 1.511 12 residues pruned to eliminate duplicates Z: 23 39.127 2.046 0.946 0.895 1.000 0.818 CB 1.502 23 residues pruned to eliminate duplicates Z: 13 15.659 1.942 0.320 0.823 1.000 0.917 CB 1.333 13 residues pruned to eliminate duplicates Z: 40 36.482 2.024 1.102 0.513 0.872 0.487 CB 1.555 40 residues pruned to eliminate duplicates Z: 49 27.099 1.914 0.661 0.544 0.938 0.646 CB 1.258 49 residues pruned to eliminate duplicates Z: 50 30.987 1.953 0.780 0.529 0.898 0.653 CB 1.378 46 residues pruned to eliminate duplicates Z: 23 38.804 2.017 1.044 0.883 1.000 0.773 CA 1.451 23 residues pruned to eliminate duplicates Z: 23 39.158 2.031 1.071 0.876 1.000 0.955 CB 1.443 23 residues pruned to eliminate duplicates Z: 46 32.445 1.976 0.874 0.515 0.933 0.622 CB 1.378 46 residues pruned to eliminate duplicates Z: 6 10.881 1.874 0.577 0.740 1.000 0.600 CB 1.328 6 residues pruned to eliminate duplicates Z: 80 33.003 1.849 0.616 0.633 0.937 0.734 CB 1.171 36 residues pruned to eliminate duplicates Z: 12 28.009 2.149 0.950 0.868 1.000 1.000 CA 1.473 12 residues pruned to eliminate duplicates Z: 11 18.689 2.100 0.890 0.914 1.000 0.800 CB 1.052 11 residues pruned to eliminate duplicates Z: 24 40.099 2.032 0.966 0.871 1.000 0.652 CA 1.527 24 residues pruned to eliminate duplicates Z: 12 8.726 1.738 0.862 0.474 0.818 0.636 CB 1.020 Z: 24 31.535 2.009 0.697 0.849 0.957 0.870 CA 1.495 24 residues pruned to eliminate duplicates Z: 36 20.342 1.858 0.652 0.470 0.914 0.629 CB 1.263 36 residues pruned to eliminate duplicates Z: 12 22.705 2.052 0.692 0.878 1.000 0.909 CA 1.431 12 residues pruned to eliminate duplicates Z: 23 30.360 2.024 0.616 0.878 1.000 0.727 CA 1.436 23 residues pruned to eliminate duplicates Z: 22 28.019 1.999 0.725 0.872 0.952 0.619 CB 1.357 22 residues pruned to eliminate duplicates Z: 15 23.330 1.818 1.189 0.866 1.000 0.857 CB 1.147 15 residues pruned to eliminate duplicates Z: 24 37.126 2.004 0.952 0.881 1.000 0.522 CA 1.432 24 residues pruned to eliminate duplicates Z: 7 8.470 1.865 0.540 0.543 1.000 0.500 CB 1.154 7 residues pruned to eliminate duplicates Z: 14 24.746 1.852 0.892 0.872 1.000 0.462 CA 1.428 14 residues pruned to eliminate duplicates Z: 22 21.243 2.039 0.834 0.409 0.952 0.429 CB 1.432 22 residues pruned to eliminate duplicates Z: 24 35.568 2.041 0.815 0.841 1.000 0.696 CA 1.493 24 residues pruned to eliminate duplicates Z: 35 31.543 1.982 0.741 0.658 1.000 0.618 CB 1.353 35 residues pruned to eliminate duplicates Z: 24 34.847 2.010 0.852 0.888 1.000 0.913 CB 1.407 24 residues pruned to eliminate duplicates Z: 12 21.098 1.942 0.934 0.889 0.909 0.909 CB 1.341 12 residues pruned to eliminate duplicates Z: 25 37.593 1.966 0.976 0.871 1.000 0.708 CB 1.440 25 residues pruned to eliminate duplicates Z: 22 26.036 1.998 0.515 0.887 0.952 0.810 CA 1.421 22 residues pruned to eliminate duplicates Z: 44 35.768 2.049 1.128 0.439 0.860 0.535 CB 1.548 44 residues pruned to eliminate duplicates Z: 15 24.288 1.903 1.033 0.762 1.000 0.857 CA 1.329 15 residues pruned to eliminate duplicates Z: 13 18.683 1.847 0.803 0.848 0.917 0.750 CB 1.311 13 residues pruned to eliminate duplicates Z: 48 27.270 1.838 0.635 0.579 0.915 0.681 CA 1.341 18 residues pruned to eliminate duplicates Z: 8 11.104 1.952 0.561 0.724 0.857 0.714 CB 1.313 6 residues pruned to eliminate duplicates Z: 36 33.765 1.995 0.754 0.700 1.000 0.686 CB 1.360 36 residues pruned to eliminate duplicates Z: 42 39.353 2.108 0.970 0.536 0.927 0.561 CB 1.542 43 residues pruned to eliminate duplicates Z: 22 28.830 1.992 0.776 0.869 1.000 0.762 CB 1.299 22 residues pruned to eliminate duplicates Z: 12 22.676 2.154 0.692 0.922 1.000 0.909 CA 1.320 12 residues pruned to eliminate duplicates Z: 47 26.771 1.931 0.589 0.542 0.891 0.609 CB 1.385 47 residues pruned to eliminate duplicates Z: 32 12.529 1.773 0.719 0.355 0.871 0.484 CB 0.991 Z: 41 32.148 1.956 0.820 0.500 0.925 0.525 CB 1.545 41 residues pruned to eliminate duplicates Z: 28 24.759 1.869 1.091 0.614 0.926 0.593 CB 1.183 28 residues pruned to eliminate duplicates Z: 24 38.158 2.016 1.017 0.869 1.000 0.609 CB 1.430 24 residues pruned to eliminate duplicates Z: 9 12.209 1.806 0.563 0.891 0.875 0.750 CA 1.257 9 residues pruned to eliminate duplicates Z: 6 3.332 1.581 0.116 0.530 1.000 0.600 CB 0.820 Z: 11 17.589 1.968 0.680 0.905 1.000 0.900 CB 1.197 10 residues pruned to eliminate duplicates Z: 33 36.158 2.030 0.807 0.721 1.000 0.750 CA 1.427 33 residues pruned to eliminate duplicates Z: 24 30.321 1.935 0.572 0.884 1.000 0.826 CB 1.502 24 residues pruned to eliminate duplicates Z: 24 26.558 1.880 0.860 0.813 0.913 0.609 CB 1.321 24 residues pruned to eliminate duplicates Z: 24 27.187 1.951 0.488 0.846 1.000 0.870 CA 1.451 24 residues pruned to eliminate duplicates Z: 23 40.181 2.077 1.016 0.854 1.000 0.727 CB 1.511 23 residues pruned to eliminate duplicates Z: 15 22.573 1.907 1.007 0.805 0.929 0.714 CA 1.300 15 residues pruned to eliminate duplicates Z: 35 15.808 1.841 0.616 0.348 0.912 0.353 CB 1.179 27 residues pruned to eliminate duplicates Z: 12 21.208 1.875 0.871 0.850 1.000 0.545 CB 1.350 12 residues pruned to eliminate duplicates Z: 10 8.836 1.802 0.156 0.584 1.000 0.667 CB 1.305 10 residues pruned to eliminate duplicates Z: 22 27.180 2.008 0.545 0.896 1.000 0.952 CA 1.369 22 residues pruned to eliminate duplicates Z: 43 29.784 1.973 0.710 0.571 0.881 0.714 CA 1.443 49 residues pruned to eliminate duplicates Z: 14 14.231 1.731 0.654 0.774 0.846 0.615 CB 1.278 14 residues pruned to eliminate duplicates Z: 46 33.236 1.968 0.699 0.602 0.956 0.711 CB 1.407 46 residues pruned to eliminate duplicates Z: 28 31.848 2.011 1.095 0.549 0.926 0.481 CB 1.498 28 residues pruned to eliminate duplicates Z: 7 16.337 1.783 1.260 0.711 1.000 0.667 CB 1.367 8 residues pruned to eliminate duplicates Z: 11 18.527 1.933 0.909 0.928 1.000 1.000 CB 1.111 11 residues pruned to eliminate duplicates Z: 43 30.976 1.964 0.774 0.592 0.905 0.619 CB 1.389 41 residues pruned to eliminate duplicates Z: 13 8.144 1.896 0.641 0.240 0.833 0.417 CB 1.225 11 residues pruned to eliminate duplicates Z: 12 17.270 1.968 0.815 0.834 0.909 0.545 CB 1.202 12 residues pruned to eliminate duplicates Z: 43 20.016 1.862 0.789 0.576 0.810 0.524 CB 1.064 14 residues pruned to eliminate duplicates Z: 10 2.723 1.656 0.763 0.330 0.556 0.333 CB 0.674 Z: 24 33.562 1.987 0.863 0.856 1.000 0.565 CB 1.395 24 residues pruned to eliminate duplicates Z: 11 8.008 1.713 0.701 0.371 0.700 0.500 CA 1.425 11 residues pruned to eliminate duplicates Z: 13 24.903 1.971 0.974 0.846 1.000 0.833 CA 1.372 13 residues pruned to eliminate duplicates Z: 12 17.317 1.855 1.072 0.923 0.909 0.909 CB 1.050 11 residues pruned to eliminate duplicates Z: 24 30.560 2.003 0.754 0.869 1.000 0.783 CA 1.325 24 residues pruned to eliminate duplicates Z: 23 31.804 1.956 1.068 0.845 0.909 0.545 CB 1.371 23 residues pruned to eliminate duplicates Z: 12 20.439 1.863 0.773 0.886 0.909 0.636 CB 1.480 12 residues pruned to eliminate duplicates Z: 22 27.622 2.026 0.589 0.885 0.905 0.857 CA 1.495 22 residues pruned to eliminate duplicates Z: 13 22.406 1.899 1.050 0.846 1.000 0.833 CA 1.234 13 residues pruned to eliminate duplicates Z: 25 29.358 1.912 0.922 0.858 0.958 0.583 CB 1.252 25 residues pruned to eliminate duplicates Z: 13 17.870 1.947 0.681 0.834 0.917 0.750 CB 1.289 13 residues pruned to eliminate duplicates Z: 16 11.283 1.638 0.541 0.702 0.800 0.600 CB 1.200 Z: 43 28.350 1.942 0.716 0.587 0.905 0.738 CB 1.335 43 residues pruned to eliminate duplicates Z: 23 27.394 1.925 0.962 0.852 0.955 0.682 CB 1.198 24 residues pruned to eliminate duplicates Z: 24 29.500 1.968 0.626 0.884 1.000 0.870 CA 1.388 24 residues pruned to eliminate duplicates Z: 17 12.782 1.742 0.745 0.575 0.938 0.625 CB 1.043 17 residues pruned to eliminate duplicates Z: 11 11.148 1.862 1.338 0.508 0.800 0.700 CB 1.004 Z: 15 19.724 1.839 0.633 0.853 0.929 0.643 CA 1.398 15 residues pruned to eliminate duplicates Z: 25 29.177 1.862 0.800 0.837 1.000 0.500 CB 1.329 25 residues pruned to eliminate duplicates Z: 24 40.137 2.040 0.984 0.867 1.000 0.826 CB 1.513 24 residues pruned to eliminate duplicates Z: 14 24.982 1.950 0.909 0.825 1.000 0.923 CA 1.406 14 residues pruned to eliminate duplicates Z: 39 43.114 2.101 1.033 0.523 0.974 0.500 CB 1.643 39 residues pruned to eliminate duplicates Z: 14 19.996 1.821 1.117 0.750 1.000 0.692 CA 1.151 14 residues pruned to eliminate duplicates Z: 14 23.398 1.991 0.654 0.851 1.000 0.923 CA 1.458 14 residues pruned to eliminate duplicates Z: 11 19.538 1.722 0.893 0.930 1.000 0.800 CB 1.325 11 residues pruned to eliminate duplicates Z: 23 27.057 1.980 0.763 0.847 0.909 0.636 CB 1.349 23 residues pruned to eliminate duplicates Z: 17 14.167 1.693 0.667 0.558 0.875 0.312 N 1.355 12 residues pruned to eliminate duplicates Z: 6 2.256 1.207 0.406 0.300 1.000 0.800 O 0.743 Z: 12 10.371 1.656 0.638 0.761 0.818 0.727 CA 1.117 12 residues pruned to eliminate duplicates Z: 10 8.344 1.654 0.767 0.391 1.000 0.556 CA 1.068 Z: 23 28.450 2.020 0.590 0.861 0.955 0.773 CB 1.453 23 residues pruned to eliminate duplicates Z: 22 24.618 1.986 0.434 0.874 1.000 0.857 CA 1.373 22 residues pruned to eliminate duplicates Z: 24 30.084 1.979 0.686 0.854 1.000 0.696 CA 1.389 24 residues pruned to eliminate duplicates Z: 9 3.664 1.547 0.448 0.180 0.875 0.500 N 0.971 Z: 81 50.030 2.007 1.041 0.502 0.900 0.588 CB 1.514 85 residues pruned to eliminate duplicates Z: 45 27.846 1.877 0.668 0.586 0.932 0.727 CB 1.325 45 residues pruned to eliminate duplicates Z: 12 20.118 2.022 0.938 0.536 0.909 0.545 CA 1.644 13 residues pruned to eliminate duplicates Z: 26 12.753 1.811 0.798 0.343 0.760 0.360 CB 1.223 26 residues pruned to eliminate duplicates Z: 12 25.042 1.967 0.941 0.832 1.000 0.818 CB 1.484 12 residues pruned to eliminate duplicates Z: 6 8.624 1.944 0.658 0.449 1.000 0.600 CA 1.260 Z: 15 14.836 1.861 0.824 0.461 0.929 0.714 CB 1.308 13 residues pruned to eliminate duplicates Z: 21 12.319 1.773 0.474 0.615 0.950 0.750 CB 0.996 21 residues pruned to eliminate duplicates Z: 7 9.610 1.847 0.699 0.660 0.833 0.667 CA 1.294 7 residues pruned to eliminate duplicates Z: 9 9.718 1.511 0.690 0.751 0.875 0.375 CA 1.229 9 residues pruned to eliminate duplicates Z: 13 25.047 2.063 0.924 0.845 1.000 0.833 CA 1.355 13 residues pruned to eliminate duplicates Z: 23 37.946 2.047 0.930 0.869 1.000 0.727 CA 1.496 23 residues pruned to eliminate duplicates Z: 44 18.988 1.846 0.636 0.394 0.860 0.488 CB 1.246 Z: 38 34.462 2.021 0.927 0.511 0.919 0.568 CB 1.566 38 residues pruned to eliminate duplicates Z: 24 35.351 1.969 0.900 0.858 1.000 0.870 CB 1.451 24 residues pruned to eliminate duplicates Z: 12 11.631 1.925 0.853 0.435 0.727 0.545 CB 1.445 12 residues pruned to eliminate duplicates Z: 24 13.558 1.821 0.794 0.364 0.826 0.348 CB 1.213 24 residues pruned to eliminate duplicates Z: 83 45.268 1.965 0.825 0.630 0.963 0.671 CB 1.280 85 residues pruned to eliminate duplicates Z: 12 14.387 1.595 0.538 0.894 1.000 0.909 CB 1.269 Z: 38 19.876 1.835 0.684 0.448 0.892 0.595 CB 1.251 38 residues pruned to eliminate duplicates Z: 40 33.638 1.960 0.791 0.709 0.974 0.564 CB 1.303 31 residues pruned to eliminate duplicates Z: 24 27.689 1.900 0.530 0.847 1.000 0.783 CB 1.474 24 residues pruned to eliminate duplicates Z: 13 13.052 1.571 0.503 0.811 0.917 0.667 CA 1.328 13 residues pruned to eliminate duplicates Z: 13 20.422 1.933 0.598 0.884 1.000 0.833 CB 1.379 13 residues pruned to eliminate duplicates Z: 8 4.899 1.567 0.846 0.379 0.857 0.429 CB 0.850 Z: 35 27.760 1.963 0.859 0.633 0.912 0.559 CB 1.263 35 residues pruned to eliminate duplicates Z: 11 16.943 1.936 0.956 0.899 0.900 0.700 CB 1.124 11 residues pruned to eliminate duplicates Z: 48 34.132 1.968 0.747 0.601 0.936 0.702 CB 1.405 52 residues pruned to eliminate duplicates Z: 42 21.928 1.855 0.568 0.553 0.878 0.659 CB 1.274 42 residues pruned to eliminate duplicates Z: 8 7.779 1.655 0.293 0.884 1.000 0.571 CB 0.992 4 residues pruned to eliminate duplicates Z: 24 37.672 2.064 0.937 0.853 0.957 0.652 CB 1.517 24 residues pruned to eliminate duplicates Z: 47 25.432 1.861 0.536 0.554 0.913 0.630 CA 1.363 47 residues pruned to eliminate duplicates Z: 12 22.189 1.952 1.328 0.925 0.909 0.818 CB 1.136 12 residues pruned to eliminate duplicates Z: 7 3.057 1.674 0.071 0.399 1.000 0.500 CB 0.774 Z: 67 38.043 1.916 0.906 0.611 0.894 0.697 CB 1.290 69 residues pruned to eliminate duplicates Z: 7 6.117 1.540 0.795 0.440 0.833 0.833 CA 1.154 Z: 14 11.995 1.718 0.303 0.792 0.923 0.769 CA 1.246 14 residues pruned to eliminate duplicates Z: 22 31.218 1.992 0.729 0.871 1.000 0.762 CB 1.442 22 residues pruned to eliminate duplicates Z: 24 27.083 1.966 0.668 0.825 0.957 0.913 CA 1.359 24 residues pruned to eliminate duplicates Z: 13 8.646 1.663 0.526 0.559 0.833 0.583 CB 1.114 13 residues pruned to eliminate duplicates Z: 28 19.546 1.949 0.886 0.597 0.926 0.556 CB 1.008 27 residues pruned to eliminate duplicates Z: 14 10.116 1.672 0.434 0.595 0.846 0.538 CB 1.263 14 residues pruned to eliminate duplicates Z: 41 29.185 2.008 0.794 0.467 0.900 0.525 CB 1.472 41 residues pruned to eliminate duplicates Z: 15 18.437 1.765 0.570 0.850 1.000 0.857 CA 1.317 15 residues pruned to eliminate duplicates Z: 22 29.235 2.027 0.926 0.859 0.857 0.714 CB 1.403 22 residues pruned to eliminate duplicates Z: 6 4.191 1.672 0.134 0.816 0.800 0.800 CB 0.939 6 residues pruned to eliminate duplicates Z: 10 10.533 1.611 0.823 0.796 0.889 0.778 CA 1.038 10 residues pruned to eliminate duplicates Z: 13 14.372 1.840 0.312 0.795 1.000 0.667 CA 1.328 13 residues pruned to eliminate duplicates Z: 24 25.745 1.941 0.599 0.815 0.957 0.826 CA 1.374 24 residues pruned to eliminate duplicates Z: 8 7.691 1.655 0.589 0.727 0.714 0.429 CA 1.261 8 residues pruned to eliminate duplicates Z: 19 18.202 2.022 0.979 0.359 0.889 0.444 CB 1.405 19 residues pruned to eliminate duplicates Z: 10 20.919 1.958 1.022 0.887 1.000 0.667 CB 1.269 10 residues pruned to eliminate duplicates Z: 24 32.277 1.998 0.862 0.860 1.000 0.783 CB 1.331 24 residues pruned to eliminate duplicates Z: 20 25.803 1.939 0.650 0.876 1.000 0.895 CB 1.345 20 residues pruned to eliminate duplicates Z: 24 32.791 2.018 0.684 0.878 1.000 0.826 CA 1.460 24 residues pruned to eliminate duplicates Z: 18 13.749 1.908 0.658 0.414 0.824 0.471 CA 1.401 21 residues pruned to eliminate duplicates Z: 23 22.110 1.955 0.390 0.879 1.000 0.909 CA 1.258 23 residues pruned to eliminate duplicates Z: 6 5.260 1.487 0.718 0.671 0.800 0.600 O 0.983 Z: 20 12.376 1.802 0.662 0.372 0.895 0.632 CA 1.214 3 residues pruned to eliminate duplicates Z: 29 32.306 2.020 1.032 0.528 0.893 0.536 CA 1.621 29 residues pruned to eliminate duplicates Z: 9 9.018 1.779 0.762 0.491 0.875 0.500 N 1.174 Z: 19 11.359 1.754 0.228 0.576 0.944 0.611 CB 1.224 19 residues pruned to eliminate duplicates Z: 24 29.179 1.880 0.760 0.849 1.000 0.739 CB 1.363 24 residues pruned to eliminate duplicates Z: 6 9.216 1.726 1.030 0.559 0.800 0.600 CB 1.388 Z: 51 30.951 1.938 0.638 0.578 0.940 0.680 CB 1.361 51 residues pruned to eliminate duplicates Z: 43 29.618 1.945 0.851 0.498 0.881 0.476 CB 1.443 30 residues pruned to eliminate duplicates Z: 12 8.576 1.790 0.814 0.312 0.727 0.455 CA 1.348 Z: 8 12.646 1.954 0.463 0.639 1.000 1.000 CB 1.468 9 residues pruned to eliminate duplicates Z: 45 34.981 1.997 0.833 0.589 0.909 0.659 CB 1.455 45 residues pruned to eliminate duplicates Z: 41 23.975 1.811 0.773 0.561 0.975 0.650 CB 1.142 41 residues pruned to eliminate duplicates Z: 18 31.587 2.003 0.847 0.912 1.000 0.706 CB 1.466 18 residues pruned to eliminate duplicates Z: 10 18.265 1.970 0.956 0.923 1.000 0.889 CB 1.110 10 residues pruned to eliminate duplicates Z: 6 8.094 1.539 0.865 0.744 0.800 0.600 N 1.268 6 residues pruned to eliminate duplicates Z: 10 8.247 1.616 0.809 0.503 0.778 0.444 CB 1.205 Z: 15 13.365 1.823 0.846 0.462 0.857 0.643 CA 1.287 15 residues pruned to eliminate duplicates Z: 23 37.078 2.022 0.844 0.882 1.000 0.727 CA 1.534 23 residues pruned to eliminate duplicates Z: 6 6.379 1.687 0.514 0.700 0.800 0.400 CB 1.164 6 residues pruned to eliminate duplicates Z: 14 16.723 1.752 0.632 0.852 0.923 0.769 CA 1.299 14 residues pruned to eliminate duplicates Z: 6 9.436 1.778 0.890 0.696 1.000 1.000 CB 1.050 Z: 24 23.897 1.895 0.424 0.822 0.957 0.826 CA 1.460 24 residues pruned to eliminate duplicates Z: 12 14.861 1.708 0.503 0.872 1.000 0.727 CA 1.273 11 residues pruned to eliminate duplicates Z: 31 31.875 2.010 0.946 0.707 0.967 0.600 CB 1.276 31 residues pruned to eliminate duplicates Z: 8 6.232 1.681 0.443 0.651 0.857 0.714 CB 0.984 8 residues pruned to eliminate duplicates Z: 123 40.178 1.916 0.533 0.546 0.943 0.607 CB 1.256 123 residues pruned to eliminate duplicates Z: 42 31.892 2.055 0.899 0.528 0.878 0.415 CB 1.415 42 residues pruned to eliminate duplicates Z: 24 30.403 2.040 0.768 0.855 0.913 0.870 CA 1.421 24 residues pruned to eliminate duplicates Z: 14 14.374 1.689 0.577 0.904 1.000 1.000 CA 1.066 14 residues pruned to eliminate duplicates Z: 13 24.548 1.965 0.895 0.852 0.917 0.667 CB 1.536 13 residues pruned to eliminate duplicates Z: 6 6.817 1.500 0.661 0.871 1.000 0.800 CA 0.893 6 residues pruned to eliminate duplicates Z: 38 20.489 1.865 0.551 0.448 0.919 0.595 CB 1.336 34 residues pruned to eliminate duplicates Z: 6 5.995 1.727 0.071 0.723 1.000 0.800 CB 1.185 Z: 24 25.321 1.872 0.455 0.877 1.000 0.957 CA 1.408 24 residues pruned to eliminate duplicates Z: 6 4.348 1.527 0.750 0.520 0.800 0.600 CB 0.891 Z: 8 5.789 1.689 0.570 0.465 1.000 0.857 CB 0.856 16 residues pruned to eliminate duplicates Z: 24 41.783 2.040 1.126 0.872 1.000 0.696 CA 1.464 24 residues pruned to eliminate duplicates Z: 23 34.849 2.060 0.868 0.867 0.955 0.682 CB 1.480 23 residues pruned to eliminate duplicates Z: 24 35.903 2.030 0.890 0.874 1.000 0.696 CA 1.420 24 residues pruned to eliminate duplicates Z: 24 27.633 1.920 0.771 0.803 0.957 0.783 CB 1.360 24 residues pruned to eliminate duplicates Z: 20 24.007 1.991 0.460 0.924 1.000 0.895 CA 1.330 20 residues pruned to eliminate duplicates Z: 48 30.044 1.942 0.847 0.612 0.915 0.638 CB 1.200 39 residues pruned to eliminate duplicates Z: 10 11.934 1.701 0.458 0.835 0.889 0.667 CB 1.352 10 residues pruned to eliminate duplicates Z: 26 20.707 1.907 0.972 0.548 0.920 0.600 CB 1.142 11 residues pruned to eliminate duplicates Z: 17 12.222 1.809 0.465 0.530 0.875 0.812 CB 1.278 17 residues pruned to eliminate duplicates Z: 22 28.707 2.007 0.662 0.885 0.952 0.714 CB 1.424 22 residues pruned to eliminate duplicates Z: 40 23.443 1.990 0.772 0.398 0.897 0.359 CB 1.320 40 residues pruned to eliminate duplicates Z: 36 25.423 1.969 0.758 0.590 0.914 0.486 CB 1.245 36 residues pruned to eliminate duplicates Z: 24 27.944 1.898 0.844 0.846 1.000 0.696 CB 1.237 24 residues pruned to eliminate duplicates Z: 47 26.547 1.856 0.615 0.540 0.935 0.630 CB 1.344 47 residues pruned to eliminate duplicates Z: 54 24.219 1.822 0.896 0.457 0.830 0.472 CB 1.212 46 residues pruned to eliminate duplicates Z: 44 23.700 1.810 0.665 0.577 0.907 0.744 CB 1.228 44 residues pruned to eliminate duplicates Z: 7 13.593 1.706 0.969 0.797 1.000 0.833 CB 1.274 7 residues pruned to eliminate duplicates Z: 48 24.434 1.818 0.727 0.634 0.915 0.596 CB 1.095 27 residues pruned to eliminate duplicates Z: 24 24.502 1.952 0.530 0.886 1.000 0.957 CA 1.234 24 residues pruned to eliminate duplicates Z: 13 12.104 1.814 0.694 0.475 0.833 0.583 CA 1.400 13 residues pruned to eliminate duplicates Z: 31 15.585 1.769 0.320 0.684 0.867 0.733 CB 1.187 31 residues pruned to eliminate duplicates Z: 22 22.325 1.935 0.427 0.882 1.000 0.857 CA 1.277 22 residues pruned to eliminate duplicates Z: 24 35.662 1.963 0.993 0.849 1.000 0.652 CA 1.409 24 residues pruned to eliminate duplicates Z: 6 3.627 1.721 0.998 0.738 1.000 0.800 CB 0.381 Z: 15 14.514 1.725 0.574 0.610 1.000 0.714 CB 1.286 15 residues pruned to eliminate duplicates Z: 6 4.922 1.542 0.388 0.756 0.800 0.600 N 1.023 6 residues pruned to eliminate duplicates Z: 7 5.440 1.888 0.279 0.534 1.000 0.500 CB 0.889 7 residues pruned to eliminate duplicates Z: 13 24.869 1.950 1.088 0.847 1.000 0.667 CA 1.309 13 residues pruned to eliminate duplicates Z: 15 15.079 1.664 0.537 0.887 1.000 0.643 CB 1.136 15 residues pruned to eliminate duplicates Z: 8 16.142 1.780 0.925 0.723 1.000 0.571 CB 1.456 8 residues pruned to eliminate duplicates Z: 10 10.418 1.660 0.516 0.878 0.889 0.889 CA 1.127 12 residues pruned to eliminate duplicates Z: 15 12.508 1.652 0.620 0.766 0.857 0.571 CA 1.151 15 residues pruned to eliminate duplicates Z: 15 12.143 1.726 0.350 0.647 1.000 0.571 CA 1.213 15 residues pruned to eliminate duplicates Z: 9 12.157 1.694 0.672 0.826 1.000 0.750 CB 1.145 9 residues pruned to eliminate duplicates Z: 11 11.085 1.682 0.244 0.881 1.000 0.800 CA 1.213 11 residues pruned to eliminate duplicates Z: 13 22.697 1.977 1.053 0.888 1.000 0.833 CB 1.163 13 residues pruned to eliminate duplicates Z: 12 10.767 1.689 0.126 0.889 1.000 0.818 CA 1.229 12 residues pruned to eliminate duplicates Z: 24 24.277 1.878 0.478 0.854 1.000 0.826 CA 1.346 24 residues pruned to eliminate duplicates Z: 39 41.334 2.054 1.067 0.498 0.974 0.553 CB 1.625 40 residues pruned to eliminate duplicates Z: 12 17.412 1.830 0.487 0.902 1.000 0.909 CA 1.376 12 residues pruned to eliminate duplicates Z: 7 3.007 1.669 0.266 0.552 0.667 0.333 CB 0.828 Z: 10 4.706 1.621 0.744 0.316 0.667 0.444 CB 1.021 Z: 11 16.786 1.690 0.641 0.900 1.000 0.800 N 1.368 11 residues pruned to eliminate duplicates Z: 17 26.934 2.016 0.641 0.857 1.000 0.812 CA 1.500 17 residues pruned to eliminate duplicates Z: 40 33.353 2.027 1.027 0.527 0.897 0.513 CB 1.411 40 residues pruned to eliminate duplicates Z: 14 21.002 1.864 1.110 0.796 1.000 0.538 CA 1.143 14 residues pruned to eliminate duplicates Z: 41 38.639 2.120 0.893 0.548 0.950 0.575 CB 1.528 41 residues pruned to eliminate duplicates Z: 10 17.206 1.882 1.009 0.606 1.000 0.778 CB 1.372 10 residues pruned to eliminate duplicates Z: 35 23.425 1.890 0.846 0.357 0.941 0.529 CB 1.427 38 residues pruned to eliminate duplicates Z: 13 12.928 1.726 0.928 0.489 0.833 0.583 CB 1.361 Z: 12 11.602 1.605 0.486 0.777 1.000 0.818 CA 1.149 12 residues pruned to eliminate duplicates Z: 7 8.815 1.755 0.742 0.757 0.667 0.667 CA 1.405 7 residues pruned to eliminate duplicates Z: 14 11.055 1.680 0.472 0.597 0.923 0.692 CB 1.224 15 residues pruned to eliminate duplicates Z: 6 8.830 1.698 0.895 0.607 1.000 0.600 N 1.109 7 residues pruned to eliminate duplicates Z: 11 7.851 1.651 0.764 0.401 0.700 0.500 N 1.351 Z: 14 21.825 1.939 0.977 0.832 1.000 0.846 CA 1.185 14 residues pruned to eliminate duplicates Z: 23 12.298 1.721 0.636 0.459 0.864 0.455 CB 1.124 23 residues pruned to eliminate duplicates Z: 24 30.795 2.049 0.693 0.868 0.957 0.826 CA 1.415 24 residues pruned to eliminate duplicates Z: 7 5.261 1.579 0.709 0.537 0.833 0.500 CA 0.921 7 residues pruned to eliminate duplicates Z: 40 14.904 1.720 0.592 0.413 0.846 0.513 CB 1.128 Z: 22 23.696 1.884 0.458 0.897 0.952 0.857 CB 1.415 22 residues pruned to eliminate duplicates Z: 9 9.052 1.792 0.503 0.626 0.875 0.625 CA 1.206 Z: 17 12.357 1.743 0.731 0.571 0.875 0.375 CB 1.093 17 residues pruned to eliminate duplicates Z: 8 3.165 1.500 0.223 0.446 0.857 0.857 CB 0.804 Z: 12 10.567 1.610 0.388 0.672 0.909 0.455 CB 1.339 6 residues pruned to eliminate duplicates Z: 6 2.384 1.232 0.259 0.445 0.800 0.400 N 0.910 Z: 15 17.275 1.849 0.861 0.585 1.000 0.571 CB 1.237 Z: 64 33.776 1.895 0.751 0.496 0.937 0.492 CB 1.374 64 residues pruned to eliminate duplicates Z: 50 32.486 1.953 0.817 0.562 0.918 0.612 CB 1.341 50 residues pruned to eliminate duplicates Z: 12 14.901 1.882 0.575 0.888 0.909 0.727 CB 1.201 12 residues pruned to eliminate duplicates Z: 14 17.889 1.758 0.615 0.864 1.000 0.923 CA 1.281 14 residues pruned to eliminate duplicates Z: 82 38.012 1.863 0.651 0.644 0.938 0.642 CB 1.280 94 residues pruned to eliminate duplicates Z: 8 11.636 1.702 0.578 0.837 1.000 0.571 CB 1.225 8 residues pruned to eliminate duplicates Z: 23 26.028 1.974 0.455 0.901 1.000 0.818 CA 1.380 23 residues pruned to eliminate duplicates Z: 13 16.252 1.751 0.583 0.933 1.000 0.917 CA 1.181 13 residues pruned to eliminate duplicates Z: 35 20.632 1.859 0.633 0.445 0.912 0.559 CB 1.353 28 residues pruned to eliminate duplicates Z: 8 6.584 1.727 0.860 0.681 0.571 0.429 CB 1.148 8 residues pruned to eliminate duplicates Z: 10 6.333 1.790 0.758 0.286 0.667 0.333 CB 1.280 10 residues pruned to eliminate duplicates Z: 20 26.396 1.890 0.495 0.931 1.000 0.947 CB 1.498 20 residues pruned to eliminate duplicates Z: 38 22.334 1.831 0.706 0.471 0.919 0.541 CB 1.317 39 residues pruned to eliminate duplicates Z: 28 14.341 1.858 0.509 0.412 0.815 0.630 CA 1.326 28 residues pruned to eliminate duplicates Z: 6 4.518 1.700 0.681 0.302 0.800 0.800 CA 1.102 Z: 13 22.796 1.917 0.791 0.882 1.000 0.750 CA 1.386 13 residues pruned to eliminate duplicates Z: 23 14.636 1.849 0.879 0.294 0.864 0.409 CB 1.308 23 residues pruned to eliminate duplicates Z: 8 6.204 1.912 1.025 0.392 0.857 0.571 CB 0.792 3 residues pruned to eliminate duplicates Z: 44 18.332 1.773 0.573 0.412 0.907 0.581 CB 1.211 44 residues pruned to eliminate duplicates Z: 14 17.421 1.762 0.796 0.862 0.923 0.846 CB 1.215 14 residues pruned to eliminate duplicates Z: 47 26.224 1.839 0.469 0.590 0.957 0.652 CB 1.372 47 residues pruned to eliminate duplicates Z: 83 37.142 1.880 0.646 0.601 0.927 0.585 CB 1.300 83 residues pruned to eliminate duplicates Z: 7 2.896 1.688 0.319 0.248 0.667 0.500 CA 1.065 Z: 13 18.525 1.846 0.963 0.853 0.917 0.750 CB 1.190 13 residues pruned to eliminate duplicates Z: 11 11.408 1.670 0.967 0.421 0.900 0.400 CA 1.325 11 residues pruned to eliminate duplicates Z: 20 13.707 1.837 0.541 0.414 0.895 0.579 CB 1.359 20 residues pruned to eliminate duplicates Z: 22 26.420 2.019 0.451 0.876 1.000 0.905 CA 1.431 22 residues pruned to eliminate duplicates Z: 12 15.396 1.895 0.751 0.910 1.000 0.909 CB 0.993 11 residues pruned to eliminate duplicates Z: 6 10.244 1.813 0.501 0.671 1.000 0.800 CB 1.437 6 residues pruned to eliminate duplicates Z: 14 13.778 1.538 0.506 0.882 1.000 0.769 CB 1.194 14 residues pruned to eliminate duplicates Z: 9 6.527 1.671 0.467 0.510 0.875 0.375 CA 1.065 9 residues pruned to eliminate duplicates Z: 23 25.092 1.924 0.575 0.835 0.955 0.864 CB 1.385 23 residues pruned to eliminate duplicates Z: 11 25.121 2.086 1.012 0.910 0.900 0.900 CA 1.491 11 residues pruned to eliminate duplicates Z: 7 3.943 1.595 0.177 0.248 0.833 0.333 O 1.375 Z: 42 28.964 1.860 0.742 0.585 0.951 0.683 CB 1.352 42 residues pruned to eliminate duplicates Z: 52 27.860 1.861 0.811 0.538 0.902 0.608 CB 1.236 52 residues pruned to eliminate duplicates Z: 37 18.677 1.844 0.581 0.459 0.861 0.611 CB 1.293 37 residues pruned to eliminate duplicates Z: 7 6.352 1.594 0.339 0.896 1.000 0.833 CB 0.870 7 residues pruned to eliminate duplicates Z: 12 11.525 1.713 0.429 0.851 1.000 0.727 CA 1.051 12 residues pruned to eliminate duplicates Z: 12 17.818 1.775 0.625 0.851 1.000 0.818 CB 1.379 12 residues pruned to eliminate duplicates Z: 42 23.948 1.827 0.532 0.614 0.902 0.634 CB 1.329 42 residues pruned to eliminate duplicates Z: 7 6.512 1.750 0.519 0.442 0.833 0.667 CA 1.274 6 residues pruned to eliminate duplicates Z: 40 15.663 1.715 0.535 0.420 0.872 0.564 CB 1.188 40 residues pruned to eliminate duplicates Z: 44 29.538 1.975 0.936 0.439 0.837 0.488 CB 1.499 45 residues pruned to eliminate duplicates Z: 8 4.215 1.634 0.485 0.364 0.714 0.571 CB 1.063 Z: 24 18.842 1.784 0.381 0.906 1.000 0.957 CA 1.134 24 residues pruned to eliminate duplicates Z: 41 38.732 2.032 1.153 0.499 0.875 0.625 CB 1.601 41 residues pruned to eliminate duplicates Z: 51 34.334 1.955 0.761 0.574 0.960 0.680 CB 1.368 51 residues pruned to eliminate duplicates Z: 16 12.042 1.744 0.512 0.732 0.867 0.667 CB 1.105 16 residues pruned to eliminate duplicates Z: 37 16.260 1.776 0.609 0.399 0.861 0.556 CB 1.225 37 residues pruned to eliminate duplicates Z: 31 21.277 1.910 0.878 0.578 0.933 0.767 CB 1.076 35 residues pruned to eliminate duplicates Z: 26 17.558 1.871 0.536 0.418 0.920 0.600 CA 1.446 26 residues pruned to eliminate duplicates Z: 8 2.056 1.645 0.152 0.310 0.857 0.571 CB 0.591 8 residues pruned to eliminate duplicates Z: 32 21.275 1.919 0.413 0.650 0.935 0.742 CA 1.310 34 residues pruned to eliminate duplicates Z: 9 7.038 1.420 0.609 0.503 0.875 0.625 CB 1.240 Z: 9 8.712 1.518 0.628 0.747 0.875 0.375 CB 1.142 9 residues pruned to eliminate duplicates Z: 9 2.778 1.367 0.287 0.232 0.750 0.375 N 1.017 Z: 23 28.480 1.925 0.833 0.873 0.955 0.591 CB 1.313 23 residues pruned to eliminate duplicates Z: 44 34.078 1.998 0.763 0.582 0.930 0.651 CA 1.465 44 residues pruned to eliminate duplicates Z: 24 38.521 2.042 1.039 0.857 0.957 0.652 CA 1.486 24 residues pruned to eliminate duplicates Z: 42 31.745 1.934 0.866 0.629 0.951 0.659 CB 1.279 42 residues pruned to eliminate duplicates Z: 13 19.284 1.762 0.822 0.899 1.000 0.833 CB 1.240 13 residues pruned to eliminate duplicates Z: 12 18.934 1.896 0.973 0.860 0.909 0.636 CA 1.234 12 residues pruned to eliminate duplicates Z: 7 7.701 1.712 0.441 0.772 1.000 1.000 CB 1.002 Z: 6 5.790 1.833 0.128 0.744 0.800 0.800 CA 1.259 6 residues pruned to eliminate duplicates Z: 9 5.272 1.609 0.619 0.306 0.875 0.375 N 1.015 Z: 6 4.756 1.518 0.692 0.482 0.800 0.600 CB 1.054 Z: 42 19.802 1.733 0.607 0.523 0.878 0.707 CB 1.235 43 residues pruned to eliminate duplicates Z: 39 13.015 1.705 0.537 0.366 0.868 0.579 CB 1.071 40 residues pruned to eliminate duplicates Z: 23 27.838 1.937 0.786 0.843 0.909 0.682 CB 1.406 23 residues pruned to eliminate duplicates Z: 41 25.901 1.868 0.626 0.573 0.925 0.650 CB 1.359 41 residues pruned to eliminate duplicates Z: 9 4.037 1.559 0.374 0.212 1.000 0.375 CB 0.935 Z: 13 14.060 1.858 1.031 0.424 0.917 0.667 CA 1.270 13 residues pruned to eliminate duplicates Z: 8 4.917 1.461 0.416 0.779 0.857 0.714 CA 0.819 8 residues pruned to eliminate duplicates Z: 45 25.077 1.789 0.651 0.603 0.955 0.773 CB 1.215 45 residues pruned to eliminate duplicates Z: 13 10.187 1.684 1.222 0.492 0.833 0.583 CB 0.951 Z: 11 15.595 1.881 0.593 0.931 1.000 0.800 CB 1.150 11 residues pruned to eliminate duplicates Z: 24 28.312 1.927 0.578 0.884 1.000 0.826 CB 1.403 24 residues pruned to eliminate duplicates Z: 13 18.761 1.888 0.624 0.824 1.000 0.833 CB 1.334 13 residues pruned to eliminate duplicates Z: 10 14.825 1.681 0.847 0.906 0.889 0.889 CA 1.273 10 residues pruned to eliminate duplicates Z: 12 19.599 1.858 0.605 0.934 1.000 0.909 CA 1.382 12 residues pruned to eliminate duplicates Z: 41 32.019 1.974 1.157 0.444 0.925 0.475 CB 1.362 41 residues pruned to eliminate duplicates Z: 44 30.857 1.907 0.725 0.614 0.953 0.721 CA 1.348 44 residues pruned to eliminate duplicates Z: 24 27.811 1.846 0.608 0.868 1.000 0.739 CB 1.427 24 residues pruned to eliminate duplicates Z: 13 7.733 1.630 0.794 0.348 0.833 0.500 CB 1.080 19 residues pruned to eliminate duplicates Z: 38 18.285 1.765 0.655 0.412 0.838 0.514 CB 1.347 40 residues pruned to eliminate duplicates Z: 24 33.090 2.015 0.775 0.864 0.957 0.783 CA 1.479 24 residues pruned to eliminate duplicates Z: 42 38.407 2.083 0.979 0.539 0.902 0.585 CB 1.552 42 residues pruned to eliminate duplicates Z: 23 33.613 2.011 0.985 0.860 0.955 0.682 CB 1.383 23 residues pruned to eliminate duplicates Z: 42 26.394 1.890 0.668 0.516 0.927 0.732 CA 1.389 42 residues pruned to eliminate duplicates Z: 28 15.691 1.777 0.667 0.504 0.889 0.444 CB 1.142 28 residues pruned to eliminate duplicates Z: 12 20.299 1.877 0.637 0.933 1.000 0.909 CA 1.390 12 residues pruned to eliminate duplicates Z: 12 16.825 1.866 0.810 0.909 1.000 0.909 CB 1.066 12 residues pruned to eliminate duplicates Z: 49 32.310 1.981 0.792 0.547 0.917 0.583 CB 1.369 49 residues pruned to eliminate duplicates Z: 13 15.530 1.804 0.669 0.866 0.917 0.833 CB 1.189 13 residues pruned to eliminate duplicates Z: 23 26.408 1.935 0.696 0.845 0.955 0.636 CB 1.336 23 residues pruned to eliminate duplicates Z: 42 35.847 2.071 0.997 0.513 0.878 0.463 CB 1.522 42 residues pruned to eliminate duplicates Z: 12 13.047 1.889 0.722 0.457 0.909 0.636 CB 1.389 12 residues pruned to eliminate duplicates Z: 7 2.980 1.471 0.621 0.469 0.833 0.667 CB 0.632 Z: 10 3.153 1.463 0.735 0.247 0.667 0.444 CB 0.831 Z: 9 9.249 1.686 0.419 0.572 1.000 0.500 CB 1.275 9 residues pruned to eliminate duplicates Z: 22 13.795 1.798 0.555 0.393 0.905 0.571 CA 1.333 22 residues pruned to eliminate duplicates Z: 20 14.897 1.775 0.776 0.651 0.895 0.684 CB 1.053 20 residues pruned to eliminate duplicates Z: 9 11.878 1.731 0.419 0.743 1.000 0.750 CB 1.375 9 residues pruned to eliminate duplicates Z: 13 20.242 1.793 0.774 0.873 1.000 0.917 CA 1.339 13 residues pruned to eliminate duplicates Z: 12 9.674 1.787 0.675 0.419 0.727 0.545 CB 1.459 12 residues pruned to eliminate duplicates Z: 43 24.661 1.903 0.800 0.466 0.833 0.667 CB 1.380 43 residues pruned to eliminate duplicates Z: 9 5.751 1.639 0.496 0.409 0.875 0.625 CB 1.043 Z: 22 14.001 1.883 0.717 0.311 0.905 0.381 CB 1.289 22 residues pruned to eliminate duplicates Z: 7 3.567 1.659 0.152 0.415 0.833 0.500 CB 0.999 Z: 10 5.454 1.710 0.097 0.489 0.889 0.222 CB 1.102 Z: 14 15.782 1.771 0.510 0.882 1.000 0.846 CA 1.185 14 residues pruned to eliminate duplicates Z: 33 24.606 1.883 0.592 0.719 0.906 0.750 CB 1.314 33 residues pruned to eliminate duplicates Z: 29 22.448 1.877 0.471 0.706 0.929 0.714 CB 1.372 29 residues pruned to eliminate duplicates Z: 7 3.822 1.606 0.610 0.517 0.833 0.667 CB 0.712 Z: 8 12.795 1.961 0.473 0.733 1.000 1.000 CA 1.358 8 residues pruned to eliminate duplicates Z: 24 20.589 1.873 0.461 0.793 0.870 0.739 CB 1.395 24 residues pruned to eliminate duplicates Z: 8 8.589 1.701 0.653 0.619 0.857 0.571 CA 1.203 8 residues pruned to eliminate duplicates Z: 9 7.866 1.797 0.150 0.687 1.000 0.625 CA 1.135 9 residues pruned to eliminate duplicates Z: 15 7.798 1.818 0.328 0.555 0.643 0.429 CB 1.272 15 residues pruned to eliminate duplicates Z: 10 2.963 1.641 0.123 0.295 0.889 0.444 CB 0.758 Z: 29 18.632 1.871 0.836 0.447 0.857 0.679 CB 1.262 29 residues pruned to eliminate duplicates Z: 7 3.839 1.470 0.196 0.507 0.833 0.667 CB 1.062 7 residues pruned to eliminate duplicates Z: 39 21.524 1.850 0.527 0.630 0.921 0.737 CB 1.188 39 residues pruned to eliminate duplicates Z: 13 20.268 1.942 1.011 0.839 1.000 0.917 CA 1.119 13 residues pruned to eliminate duplicates Z: 7 9.154 1.739 0.755 0.666 1.000 1.000 CB 1.051 6 residues pruned to eliminate duplicates Z: 8 5.069 1.416 0.773 0.409 0.714 0.571 O 1.175 Z: 15 13.596 1.787 0.567 0.647 0.857 0.714 CA 1.320 15 residues pruned to eliminate duplicates Z: 42 31.397 1.979 1.082 0.427 0.805 0.512 CB 1.596 42 residues pruned to eliminate duplicates Z: 8 6.716 1.824 0.779 0.249 0.857 0.714 CB 1.219 8 residues pruned to eliminate duplicates Z: 12 16.438 1.895 0.698 0.908 1.000 0.818 CB 1.094 12 residues pruned to eliminate duplicates Z: 8 7.267 1.511 0.333 0.772 1.000 0.571 CB 1.072 8 residues pruned to eliminate duplicates Z: 38 29.706 1.930 0.796 0.628 0.946 0.703 CB 1.320 38 residues pruned to eliminate duplicates Z: 10 15.442 1.776 0.468 0.913 1.000 0.778 CB 1.398 10 residues pruned to eliminate duplicates Z: 15 15.520 1.824 0.656 0.670 0.857 0.571 CB 1.369 14 residues pruned to eliminate duplicates Z: 14 21.401 1.944 0.716 0.847 0.923 0.692 CB 1.430 14 residues pruned to eliminate duplicates Z: 13 23.688 1.937 0.955 0.864 1.000 0.833 CB 1.324 13 residues pruned to eliminate duplicates Z: 23 13.543 1.745 0.652 0.448 0.864 0.455 CB 1.223 24 residues pruned to eliminate duplicates Z: 13 8.774 1.588 0.435 0.622 0.917 0.667 CB 1.082 13 residues pruned to eliminate duplicates Z: 23 22.532 1.940 0.422 0.881 1.000 0.909 CA 1.261 23 residues pruned to eliminate duplicates Z: 12 20.807 1.936 0.927 0.918 0.909 0.636 CB 1.304 12 residues pruned to eliminate duplicates Z: 46 28.250 1.885 0.703 0.546 0.933 0.711 CB 1.344 46 residues pruned to eliminate duplicates Z: 47 27.273 1.878 0.603 0.564 0.935 0.674 CB 1.343 47 residues pruned to eliminate duplicates Z: 35 17.917 1.847 0.865 0.537 0.824 0.618 CB 1.044 35 residues pruned to eliminate duplicates Z: 17 17.844 1.938 0.860 0.675 0.938 0.625 CB 1.124 17 residues pruned to eliminate duplicates Z: 33 30.187 1.951 1.074 0.470 0.938 0.500 CB 1.450 33 residues pruned to eliminate duplicates Z: 41 25.907 1.940 0.770 0.446 0.925 0.550 CB 1.363 47 residues pruned to eliminate duplicates Z: 12 13.232 1.648 0.341 0.839 1.000 0.727 CA 1.348 12 residues pruned to eliminate duplicates Z: 78 40.361 1.908 0.712 0.638 0.935 0.701 CB 1.324 81 residues pruned to eliminate duplicates Z: 24 35.269 1.964 0.959 0.893 1.000 0.739 CA 1.371 24 residues pruned to eliminate duplicates Z: 14 16.879 1.697 0.520 0.902 1.000 0.769 CA 1.295 14 residues pruned to eliminate duplicates Z: 15 8.290 1.735 0.699 0.265 0.857 0.357 CA 1.146 15 residues pruned to eliminate duplicates Z: 6 2.801 1.622 -0.011 0.600 0.800 0.600 CB 0.888 6 residues pruned to eliminate duplicates Z: 41 30.537 1.973 0.807 0.543 0.950 0.700 CB 1.366 41 residues pruned to eliminate duplicates Z: 8 2.270 1.574 -0.037 0.324 1.000 0.857 CB 0.687 8 residues pruned to eliminate duplicates Z: 12 11.818 1.638 0.445 0.863 0.909 0.727 CB 1.215 12 residues pruned to eliminate duplicates Z: 12 12.461 1.797 0.762 0.437 1.000 0.545 CB 1.267 13 residues pruned to eliminate duplicates Z: 7 3.495 1.455 1.037 0.378 0.667 0.500 CB 0.823 Z: 40 42.378 2.103 0.992 0.570 0.974 0.564 CB 1.553 42 residues pruned to eliminate duplicates Z: 13 5.591 1.756 0.889 0.275 0.750 0.250 CB 0.838 8 residues pruned to eliminate duplicates Z: 14 20.157 1.923 0.791 0.857 0.923 0.846 CA 1.297 14 residues pruned to eliminate duplicates Z: 13 13.991 1.756 0.465 0.929 1.000 0.917 CB 1.099 13 residues pruned to eliminate duplicates Z: 12 7.896 1.683 0.670 0.699 0.727 0.364 CB 0.971 12 residues pruned to eliminate duplicates Z: 41 36.884 2.088 0.980 0.553 0.875 0.475 CB 1.532 41 residues pruned to eliminate duplicates Z: 25 18.893 1.919 0.847 0.336 0.833 0.375 N 1.562 25 residues pruned to eliminate duplicates Z: 21 28.227 2.030 0.549 0.904 1.000 0.950 CA 1.429 21 residues pruned to eliminate duplicates Z: 23 14.202 1.824 0.720 0.384 0.864 0.455 CB 1.264 23 residues pruned to eliminate duplicates Z: 15 8.790 1.560 0.356 0.505 0.857 0.643 CB 1.290 15 residues pruned to eliminate duplicates Z: 15 8.113 1.724 0.588 0.418 0.929 0.571 CB 0.929 15 residues pruned to eliminate duplicates Z: 13 18.507 1.948 0.796 0.766 0.917 0.750 CA 1.315 13 residues pruned to eliminate duplicates Z: 12 15.741 1.971 0.701 0.878 0.909 0.636 CB 1.130 12 residues pruned to eliminate duplicates Z: 6 3.095 1.428 0.325 0.473 0.800 0.400 N 0.941 Z: 20 14.190 1.861 0.719 0.414 0.842 0.632 CB 1.322 20 residues pruned to eliminate duplicates Z: 12 11.087 1.545 0.357 0.881 1.000 0.909 CB 1.155 12 residues pruned to eliminate duplicates Z: 12 20.207 1.978 0.727 0.901 0.909 0.727 CA 1.401 12 residues pruned to eliminate duplicates Z: 72 36.934 1.945 0.797 0.556 0.915 0.662 CB 1.296 108 residues pruned to eliminate duplicates Z: 38 32.665 1.993 0.911 0.664 0.946 0.703 CB 1.281 38 residues pruned to eliminate duplicates Z: 6 9.961 1.619 0.548 0.856 1.000 1.000 CA 1.311 6 residues pruned to eliminate duplicates Z: 23 26.496 1.984 0.505 0.842 1.000 0.864 CA 1.409 23 residues pruned to eliminate duplicates Z: 24 12.400 1.732 0.897 0.351 0.783 0.391 CB 1.181 24 residues pruned to eliminate duplicates Z: 27 16.567 1.777 0.706 0.477 0.846 0.500 CB 1.297 27 residues pruned to eliminate duplicates Z: 54 26.634 1.855 0.618 0.506 0.906 0.604 CB 1.337 54 residues pruned to eliminate duplicates Z: 9 8.483 1.886 0.517 0.601 0.750 0.500 CA 1.270 9 residues pruned to eliminate duplicates Z: 14 16.924 1.768 0.741 0.872 1.000 0.846 CA 1.112 14 residues pruned to eliminate duplicates Z: 31 21.286 1.840 0.921 0.551 0.900 0.467 CB 1.162 32 residues pruned to eliminate duplicates Z: 10 11.570 1.715 0.710 0.508 1.000 0.778 CA 1.304 10 residues pruned to eliminate duplicates Z: 10 6.019 1.766 0.268 0.530 0.778 0.556 CB 1.118 10 residues pruned to eliminate duplicates 6 1.926 1.651 -0.404 0.430 1.000 0.400 CB 0.942 ? Z: 13 9.722 1.785 0.580 0.441 0.917 0.583 CB 1.154 Z: 6 7.300 1.704 0.397 0.842 1.000 1.000 CB 1.021 6 residues pruned to eliminate duplicates Z: 12 17.472 1.855 0.879 0.886 1.000 0.909 CB 1.090 12 residues pruned to eliminate duplicates Z: 7 10.960 1.765 0.988 0.742 0.833 0.667 CB 1.232 7 residues pruned to eliminate duplicates Z: 8 6.479 1.639 0.791 0.319 0.714 0.286 N 1.427 Z: 11 15.973 1.728 0.615 0.895 1.000 1.000 CA 1.298 11 residues pruned to eliminate duplicates Z: 14 19.410 1.783 0.743 0.879 1.000 0.846 CA 1.256 14 residues pruned to eliminate duplicates Z: 14 12.366 1.761 0.619 0.635 0.846 0.385 CB 1.252 15 residues pruned to eliminate duplicates Z: 7 3.917 1.528 0.464 0.355 0.833 0.667 CB 1.003 Z: 25 21.673 1.954 0.802 0.459 0.917 0.333 CB 1.429 25 residues pruned to eliminate duplicates Z: 24 24.706 1.882 0.763 0.791 0.957 0.609 CB 1.257 24 residues pruned to eliminate duplicates Z: 41 35.029 2.030 1.026 0.556 0.925 0.575 CB 1.379 40 residues pruned to eliminate duplicates Z: 13 9.930 1.810 0.515 0.424 0.917 0.417 CB 1.235 13 residues pruned to eliminate duplicates Z: 6 3.045 1.384 0.723 0.285 0.800 0.400 CB 0.909 Z: 65 33.129 1.904 0.741 0.533 0.953 0.641 CB 1.270 65 residues pruned to eliminate duplicates Z: 13 15.317 1.725 0.758 0.849 0.833 0.583 CB 1.297 13 residues pruned to eliminate duplicates Z: 15 6.872 1.660 0.838 0.303 0.714 0.357 CB 1.049 Z: 11 6.724 1.683 0.691 0.219 0.900 0.500 CB 1.155 Z: 12 13.448 1.576 0.540 0.825 1.000 0.727 CA 1.261 12 residues pruned to eliminate duplicates Z: 14 15.868 1.707 0.692 0.930 1.000 0.846 CA 1.066 14 residues pruned to eliminate duplicates Z: 11 4.943 1.792 0.658 0.191 0.900 0.300 CB 0.846 11 residues pruned to eliminate duplicates Z: 18 19.126 1.968 0.978 0.494 0.824 0.529 CB 1.455 18 residues pruned to eliminate duplicates Z: 10 9.918 1.681 0.519 0.737 1.000 1.000 CA 1.047 10 residues pruned to eliminate duplicates Z: 14 17.719 1.728 0.732 0.894 0.923 0.846 CA 1.275 14 residues pruned to eliminate duplicates Z: 13 12.018 1.577 0.407 0.804 1.000 0.667 CB 1.200 13 residues pruned to eliminate duplicates Z: 15 10.609 1.841 0.504 0.471 0.857 0.643 CB 1.230 15 residues pruned to eliminate duplicates Z: 26 17.026 1.812 0.631 0.455 0.840 0.560 CA 1.436 26 residues pruned to eliminate duplicates Z: 42 28.774 1.954 0.750 0.563 0.902 0.659 CB 1.371 42 residues pruned to eliminate duplicates Z: 8 6.291 1.726 0.506 0.566 0.857 0.429 CB 1.001 10 residues pruned to eliminate duplicates Z: 20 23.272 2.007 0.389 0.940 1.000 1.000 CA 1.330 20 residues pruned to eliminate duplicates Z: 19 12.273 1.855 0.701 0.379 0.889 0.611 CB 1.173 20 residues pruned to eliminate duplicates Z: 43 36.684 2.021 1.002 0.488 0.929 0.500 CB 1.525 43 residues pruned to eliminate duplicates Z: 46 29.712 1.926 0.777 0.568 0.933 0.711 CB 1.298 46 residues pruned to eliminate duplicates Z: 7 7.652 1.670 0.385 0.856 1.000 0.667 CB 0.996 7 residues pruned to eliminate duplicates Z: 13 12.011 1.718 0.501 0.613 1.000 0.583 CB 1.208 13 residues pruned to eliminate duplicates Z: 29 17.223 1.896 0.635 0.382 0.893 0.500 CB 1.333 29 residues pruned to eliminate duplicates Z: 14 13.005 1.683 0.605 0.821 0.923 0.846 CA 1.095 14 residues pruned to eliminate duplicates Z: 21 13.674 1.758 0.687 0.444 0.850 0.700 CB 1.285 20 residues pruned to eliminate duplicates Z: 12 9.630 1.783 0.306 0.546 0.909 0.364 CB 1.311 12 residues pruned to eliminate duplicates Z: 17 18.411 1.880 1.083 0.400 0.875 0.500 CB 1.491 19 residues pruned to eliminate duplicates Z: 13 19.119 1.902 0.813 0.910 1.000 0.833 CA 1.136 13 residues pruned to eliminate duplicates Z: 11 15.821 1.902 0.610 0.924 1.000 0.900 CB 1.148 11 residues pruned to eliminate duplicates Z: 38 25.245 1.861 0.713 0.598 0.919 0.676 CB 1.290 38 residues pruned to eliminate duplicates Z: 15 14.641 1.519 0.594 0.831 1.000 0.643 CA 1.214 14 residues pruned to eliminate duplicates Z: 56 28.502 1.846 0.641 0.574 0.909 0.636 CB 1.300 56 residues pruned to eliminate duplicates Z: 7 4.416 1.704 0.828 0.582 1.000 0.833 CB 0.535 Z: 19 10.617 1.762 0.580 0.360 0.889 0.611 CB 1.176 24 residues pruned to eliminate duplicates Z: 7 4.503 1.612 0.505 0.297 0.833 0.500 CB 1.140 Z: 15 11.170 1.824 0.508 0.485 0.857 0.643 CB 1.286 15 residues pruned to eliminate duplicates Z: 12 16.278 1.606 0.746 0.908 1.000 0.909 CA 1.243 12 residues pruned to eliminate duplicates Z: 6 4.696 1.594 0.334 0.481 0.800 0.600 N 1.259 6 residues pruned to eliminate duplicates Z: 13 15.887 1.837 0.511 0.835 0.917 0.750 CB 1.349 13 residues pruned to eliminate duplicates Z: 14 9.573 1.727 0.694 0.467 0.923 0.385 CA 1.016 14 residues pruned to eliminate duplicates Z: 9 9.659 1.515 0.651 0.761 1.000 0.750 CB 1.082 Z: 47 28.213 1.861 0.693 0.566 0.935 0.609 CB 1.325 47 residues pruned to eliminate duplicates Z: 23 34.498 2.062 0.845 0.859 0.955 0.727 CA 1.490 23 residues pruned to eliminate duplicates Z: 45 23.099 1.775 0.647 0.562 0.932 0.705 CB 1.203 45 residues pruned to eliminate duplicates Z: 27 22.187 1.954 0.896 0.630 0.885 0.577 CB 1.175 27 residues pruned to eliminate duplicates Z: 13 12.316 1.680 0.332 0.864 1.000 0.750 CB 1.165 13 residues pruned to eliminate duplicates Z: 38 18.089 1.823 0.502 0.415 0.865 0.514 CB 1.371 38 residues pruned to eliminate duplicates Z: 42 28.085 1.909 0.789 0.550 0.951 0.732 CA 1.287 42 residues pruned to eliminate duplicates Z: 14 18.587 1.740 0.811 0.843 1.000 0.692 CB 1.219 14 residues pruned to eliminate duplicates Z: 21 14.832 1.720 0.710 0.588 0.900 0.500 CB 1.151 18 residues pruned to eliminate duplicates Z: 21 17.486 1.996 0.866 0.418 0.850 0.350 CB 1.346 21 residues pruned to eliminate duplicates Z: 56 30.613 1.969 0.674 0.558 0.891 0.655 CB 1.328 56 residues pruned to eliminate duplicates Z: 12 7.497 1.571 0.202 0.688 0.909 0.636 CA 1.108 12 residues pruned to eliminate duplicates Z: 11 12.612 1.925 0.522 0.738 0.800 0.500 CB 1.374 11 residues pruned to eliminate duplicates Z: 6 7.497 1.624 0.724 0.820 1.000 0.600 CB 0.908 6 residues pruned to eliminate duplicates Z: 31 19.615 1.933 0.612 0.426 0.867 0.667 CB 1.432 31 residues pruned to eliminate duplicates Z: 43 31.600 1.974 0.824 0.489 0.952 0.476 CB 1.438 43 residues pruned to eliminate duplicates Z: 17 8.916 1.838 0.355 0.374 0.750 0.438 CB 1.366 15 residues pruned to eliminate duplicates Z: 24 21.174 1.869 0.442 0.849 0.957 0.826 CA 1.270 24 residues pruned to eliminate duplicates Z: 13 18.984 1.797 0.836 0.906 1.000 0.750 CB 1.181 13 residues pruned to eliminate duplicates Z: 7 6.052 1.743 0.445 0.514 0.833 0.500 CB 1.161 7 residues pruned to eliminate duplicates Z: 14 17.538 1.711 1.025 0.805 0.923 0.692 CB 1.165 14 residues pruned to eliminate duplicates Z: 7 4.660 1.564 0.478 0.478 1.000 0.500 CB 0.842 Z: 8 3.776 1.582 0.183 0.513 0.714 0.429 CB 1.054 8 residues pruned to eliminate duplicates Z: 38 21.689 1.829 0.798 0.443 0.892 0.541 CB 1.290 37 residues pruned to eliminate duplicates Z: 6 7.344 1.458 0.436 0.847 1.000 0.600 CA 1.165 6 residues pruned to eliminate duplicates Z: 8 4.421 1.404 0.647 0.296 0.857 0.714 N 1.059 Z: 22 25.500 2.019 0.510 0.885 1.000 0.905 CA 1.317 Z: 9 8.942 1.394 0.551 0.883 1.000 0.750 CB 1.057 Z: 6 3.318 1.763 0.576 0.821 1.000 0.800 CB 0.404 Z: 7 10.683 1.778 0.523 0.889 1.000 0.833 CB 1.159 7 residues pruned to eliminate duplicates Z: 10 17.563 1.817 1.260 0.548 1.000 1.000 CA 1.359 Z: 32 30.077 2.007 0.811 0.628 0.903 0.710 CB 1.459 32 residues pruned to eliminate duplicates Z: 13 8.687 1.770 0.623 0.450 0.750 0.250 CB 1.225 13 residues pruned to eliminate duplicates Z: 10 12.926 1.731 1.062 0.526 0.889 0.889 CB 1.324 Z: 12 17.349 1.721 0.789 0.921 1.000 0.909 CA 1.196 12 residues pruned to eliminate duplicates Z: 37 19.441 1.832 0.569 0.430 0.944 0.472 CB 1.284 37 residues pruned to eliminate duplicates Z: 6 2.653 1.590 0.141 0.377 0.600 0.400 CA 1.243 3 residues pruned to eliminate duplicates Z: 14 19.018 1.745 0.760 0.869 0.923 0.538 CB 1.358 14 residues pruned to eliminate duplicates Z: 78 40.452 2.011 0.694 0.571 0.922 0.571 CB 1.370 105 residues pruned to eliminate duplicates Z: 45 26.474 1.896 0.738 0.534 0.909 0.682 CB 1.288 45 residues pruned to eliminate duplicates Z: 14 8.693 1.690 0.385 0.421 0.923 0.615 CB 1.212 14 residues pruned to eliminate duplicates Z: 6 2.276 1.471 0.385 0.466 0.800 0.800 CB 0.647 5 residues pruned to eliminate duplicates Z: 21 20.366 1.834 1.068 0.636 0.900 0.600 CB 1.175 23 residues pruned to eliminate duplicates Z: 11 14.475 1.845 1.178 0.482 1.000 0.700 CB 1.160 11 residues pruned to eliminate duplicates Z: 23 38.535 2.051 0.986 0.888 1.000 0.773 CA 1.453 29 residues pruned to eliminate duplicates Z: 12 12.769 1.810 0.474 0.910 1.000 0.818 CB 1.023 12 residues pruned to eliminate duplicates Z: 17 10.933 1.788 0.602 0.495 0.812 0.625 CB 1.180 17 residues pruned to eliminate duplicates Z: 7 5.593 1.788 0.168 0.885 0.833 0.833 CB 0.947 7 residues pruned to eliminate duplicates Z: 13 29.654 1.988 1.323 0.874 1.000 0.667 CA 1.349 13 residues pruned to eliminate duplicates Z: 14 7.182 1.749 0.551 0.301 0.769 0.385 CB 1.192 Z: 6 7.789 1.628 0.361 0.658 1.000 0.800 CB 1.358 6 residues pruned to eliminate duplicates Z: 6 4.766 1.403 0.020 0.756 1.000 0.800 CA 1.185 Z: 13 18.472 1.931 0.931 0.791 0.917 0.667 CA 1.208 13 residues pruned to eliminate duplicates Z: 8 3.714 1.687 0.299 0.338 0.857 0.429 CB 0.891 Z: 32 26.072 1.936 1.022 0.414 0.903 0.387 CB 1.449 32 residues pruned to eliminate duplicates Z: 43 32.506 1.942 0.936 0.599 0.905 0.762 CB 1.342 43 residues pruned to eliminate duplicates Z: 44 28.250 1.894 0.727 0.575 0.930 0.721 CB 1.318 44 residues pruned to eliminate duplicates Z: 12 11.298 1.939 0.758 0.480 0.909 0.545 CB 1.121 12 residues pruned to eliminate duplicates Z: 11 8.270 1.684 0.561 0.691 1.000 0.400 CB 0.835 11 residues pruned to eliminate duplicates Z: 43 39.585 2.074 0.863 0.580 0.952 0.690 CB 1.536 43 residues pruned to eliminate duplicates Z: 15 7.497 1.694 0.617 0.370 0.786 0.643 CB 1.070 6 residues pruned to eliminate duplicates Z: 24 17.389 1.916 0.738 0.491 0.870 0.565 CB 1.263 24 residues pruned to eliminate duplicates Z: 9 10.815 1.632 0.704 0.687 1.000 0.875 CA 1.158 9 residues pruned to eliminate duplicates Z: 15 16.860 1.742 0.562 0.837 1.000 0.786 CA 1.239 15 residues pruned to eliminate duplicates Z: 45 26.952 1.862 0.807 0.510 0.864 0.523 CB 1.385 45 residues pruned to eliminate duplicates Z: 7 3.123 1.371 0.472 0.354 0.833 0.333 N 0.888 Z: 52 28.979 1.849 0.687 0.573 0.922 0.686 CB 1.316 48 residues pruned to eliminate duplicates Z: 7 6.103 1.669 0.593 0.768 0.667 0.500 CB 1.108 7 residues pruned to eliminate duplicates Z: 6 4.239 1.454 0.486 0.687 1.000 0.400 CB 0.740 6 residues pruned to eliminate duplicates Z: 7 9.781 1.776 0.461 0.866 1.000 0.833 CB 1.127 7 residues pruned to eliminate duplicates Z: 44 31.509 1.957 0.856 0.604 0.907 0.628 CB 1.321 44 residues pruned to eliminate duplicates Z: 6 11.927 1.761 1.110 0.787 0.800 0.400 CB 1.395 6 residues pruned to eliminate duplicates Z: 16 14.525 1.732 0.469 0.639 0.933 0.533 CB 1.388 16 residues pruned to eliminate duplicates Z: 11 7.377 1.638 0.621 0.329 0.800 0.600 CA 1.325 11 residues pruned to eliminate duplicates Z: 19 15.790 1.927 0.943 0.342 0.833 0.444 CB 1.417 19 residues pruned to eliminate duplicates Z: 21 14.343 1.817 0.631 0.428 0.900 0.550 CB 1.296 20 residues pruned to eliminate duplicates Z: 23 37.925 2.048 0.937 0.855 1.000 0.773 CB 1.505 23 residues pruned to eliminate duplicates Z: 11 9.137 1.279 0.662 0.871 1.000 0.800 CA 0.991 9 residues pruned to eliminate duplicates Z: 37 36.829 2.016 0.884 0.687 1.000 0.778 CB 1.362 37 residues pruned to eliminate duplicates Z: 19 14.831 1.832 0.771 0.480 0.944 0.611 CA 1.164 19 residues pruned to eliminate duplicates Z: 39 23.076 1.825 0.544 0.654 0.921 0.684 CB 1.249 39 residues pruned to eliminate duplicates Z: 6 3.931 1.519 0.197 0.459 0.800 0.600 O 1.260 Z: 12 16.610 1.944 0.602 0.828 1.000 0.818 CA 1.211 12 residues pruned to eliminate duplicates Z: 9 5.122 1.399 0.628 0.449 0.875 0.375 N 0.958 9 residues pruned to eliminate duplicates Z: 13 12.905 1.591 0.757 0.781 0.833 0.667 CA 1.248 13 residues pruned to eliminate duplicates Z: 6 4.861 1.813 0.342 0.637 0.600 0.600 CB 1.310 6 residues pruned to eliminate duplicates Z: 50 30.078 1.957 0.765 0.512 0.959 0.653 CB 1.282 50 residues pruned to eliminate duplicates Z: 26 15.833 1.770 0.530 0.537 1.000 0.760 CB 1.128 26 residues pruned to eliminate duplicates Z: 23 26.948 1.954 0.633 0.868 0.955 0.636 CB 1.378 23 residues pruned to eliminate duplicates Z: 12 16.205 1.916 0.663 0.927 0.909 0.727 CB 1.182 12 residues pruned to eliminate duplicates Z: 10 12.735 1.708 0.948 0.889 0.889 0.667 CB 1.033 10 residues pruned to eliminate duplicates Z: 12 16.340 1.885 0.775 0.897 0.909 0.727 CB 1.160 12 residues pruned to eliminate duplicates Z: 23 39.687 2.081 0.898 0.901 1.000 0.909 CA 1.529 23 residues pruned to eliminate duplicates Z: 48 17.617 1.700 0.552 0.418 0.894 0.574 CB 1.188 38 residues pruned to eliminate duplicates Z: 11 4.983 1.510 0.486 0.419 0.700 0.300 CB 1.091 Z: 23 23.352 1.881 0.524 0.884 0.909 0.818 CA 1.380 23 residues pruned to eliminate duplicates Z: 7 9.798 1.743 0.742 0.853 1.000 0.833 CB 0.974 7 residues pruned to eliminate duplicates Z: 65 33.873 1.964 0.720 0.550 0.906 0.531 CB 1.317 72 residues pruned to eliminate duplicates Z: 37 23.747 1.882 0.689 0.702 0.944 0.611 CB 1.097 37 residues pruned to eliminate duplicates Z: 25 13.382 1.781 0.519 0.439 0.917 0.625 CB 1.172 26 residues pruned to eliminate duplicates Z: 26 32.461 2.067 0.985 0.614 0.880 0.760 CB 1.613 26 residues pruned to eliminate duplicates Z: 42 30.958 1.913 0.953 0.497 0.927 0.512 CB 1.400 42 residues pruned to eliminate duplicates Z: 39 24.631 1.816 0.754 0.585 0.895 0.632 CB 1.292 39 residues pruned to eliminate duplicates Z: 15 7.933 1.493 0.463 0.614 0.786 0.500 CB 1.109 14 residues pruned to eliminate duplicates Z: 13 7.150 1.553 0.652 0.428 0.750 0.500 CB 1.155 Z: 16 7.291 1.485 1.010 0.309 0.733 0.333 CB 1.063 Z: 8 4.840 1.492 0.450 0.467 1.000 0.571 N 0.875 Z: 6 7.739 1.677 0.686 0.557 1.000 0.800 CB 1.158 Z: 12 16.125 1.908 1.080 0.935 0.909 0.818 CB 0.939 12 residues pruned to eliminate duplicates Z: 43 32.869 1.935 0.837 0.591 0.929 0.714 CB 1.408 43 residues pruned to eliminate duplicates Z: 23 19.584 1.806 0.415 0.884 0.955 0.864 CA 1.237 23 residues pruned to eliminate duplicates Z: 17 11.840 1.720 0.755 0.397 0.938 0.562 CB 1.166 8 residues pruned to eliminate duplicates Z: 12 18.907 1.637 0.960 0.850 1.000 0.636 CB 1.316 12 residues pruned to eliminate duplicates Z: 17 13.606 1.727 0.594 0.577 0.938 0.625 CB 1.223 17 residues pruned to eliminate duplicates Z: 9 9.183 1.763 0.449 0.712 0.875 0.500 CA 1.199 9 residues pruned to eliminate duplicates Z: 16 12.066 1.652 0.720 0.506 0.867 0.467 CA 1.258 16 residues pruned to eliminate duplicates Z: 40 33.309 1.996 0.921 0.519 0.949 0.538 CB 1.438 40 residues pruned to eliminate duplicates Z: 7 6.590 1.687 1.265 0.695 0.833 0.500 CA 0.707 8 residues pruned to eliminate duplicates Z: 7 3.468 1.420 0.424 0.449 0.833 0.500 CB 0.885 Z: 8 5.259 1.281 0.563 0.804 1.000 0.714 CA 0.761 8 residues pruned to eliminate duplicates Z: 29 18.728 1.857 0.588 0.513 0.857 0.464 CB 1.382 29 residues pruned to eliminate duplicates Z: 24 24.315 1.834 0.925 0.856 0.957 0.478 CB 1.107 24 residues pruned to eliminate duplicates Z: 9 12.243 1.680 0.614 0.734 1.000 0.750 CA 1.294 9 residues pruned to eliminate duplicates Z: 11 7.841 1.554 0.475 0.479 0.900 0.600 CB 1.228 5 residues pruned to eliminate duplicates Z: 23 15.531 1.816 0.747 0.531 0.909 0.545 CB 1.114 33 residues pruned to eliminate duplicates Z: 14 13.587 1.690 0.649 0.871 1.000 0.923 CA 0.986 14 residues pruned to eliminate duplicates Z: 12 14.014 1.669 1.125 0.770 0.818 0.636 CA 1.146 10 residues pruned to eliminate duplicates Z: 10 6.343 1.304 0.654 0.829 0.889 0.556 CA 0.830 10 residues pruned to eliminate duplicates Z: 13 14.762 1.623 0.740 0.897 1.000 0.917 CA 1.080 12 residues pruned to eliminate duplicates Z: 11 6.675 1.350 0.192 0.854 0.900 0.900 N 1.076 11 residues pruned to eliminate duplicates Z: 11 15.113 1.817 0.690 0.894 1.000 0.900 CA 1.116 11 residues pruned to eliminate duplicates Z: 21 7.428 1.626 0.243 0.469 0.900 0.600 CB 0.942 21 residues pruned to eliminate duplicates Z: 10 9.401 1.743 0.502 0.698 0.889 0.778 CB 1.124 10 residues pruned to eliminate duplicates Z: 25 29.693 1.957 0.938 0.648 0.958 0.792 CA 1.454 25 residues pruned to eliminate duplicates Z: 23 32.561 2.046 0.866 0.840 0.909 0.682 CA 1.492 23 residues pruned to eliminate duplicates Z: 27 23.139 1.914 0.870 0.601 0.808 0.692 CB 1.426 27 residues pruned to eliminate duplicates Z: 9 6.911 1.749 0.641 0.445 0.750 0.625 CB 1.201 9 residues pruned to eliminate duplicates Z: 6 4.995 1.331 0.614 0.696 0.800 0.400 CA 1.087 4 residues pruned to eliminate duplicates Z: 33 33.808 2.043 0.977 0.526 0.938 0.406 CB 1.539 33 residues pruned to eliminate duplicates Z: 7 2.704 1.675 0.007 0.540 0.667 0.500 CA 0.945 Z: 9 2.966 1.472 0.291 0.350 0.625 0.500 CB 1.039 Z: 11 9.691 1.549 0.513 0.838 1.000 0.700 CB 0.977 10 residues pruned to eliminate duplicates Z: 6 2.104 1.583 -0.193 0.394 0.800 0.400 CB 1.029 Z: 6 3.696 1.372 0.138 0.711 0.800 0.800 CB 1.093 6 residues pruned to eliminate duplicates Z: 7 4.757 1.608 0.742 0.326 0.667 0.333 CB 1.260 Z: 29 20.115 1.813 0.562 0.700 0.893 0.643 CB 1.252 29 residues pruned to eliminate duplicates Z: 16 13.236 1.824 0.849 0.431 0.800 0.533 CB 1.361 16 residues pruned to eliminate duplicates Z: 10 13.303 1.739 0.680 0.883 0.889 0.778 CB 1.235 10 residues pruned to eliminate duplicates Z: 19 16.638 1.891 0.789 0.471 0.889 0.389 CB 1.343 19 residues pruned to eliminate duplicates Z: 29 25.849 1.886 0.844 0.502 0.964 0.464 CB 1.454 29 residues pruned to eliminate duplicates Z: 28 32.558 1.995 0.830 0.746 0.963 0.593 CB 1.430 28 residues pruned to eliminate duplicates Z: 48 22.738 1.827 0.545 0.467 0.915 0.553 CB 1.328 48 residues pruned to eliminate duplicates Z: 41 34.344 1.979 0.928 0.530 0.900 0.600 CB 1.536 41 residues pruned to eliminate duplicates Z: 6 6.655 1.623 0.457 0.544 1.000 0.400 CA 1.205 Z: 6 6.076 1.710 0.790 0.491 0.800 0.600 CA 1.120 Z: 11 4.803 1.637 0.439 0.357 0.900 0.400 CB 0.836 11 residues pruned to eliminate duplicates Z: 14 10.568 1.788 0.520 0.441 0.923 0.308 N 1.241 14 residues pruned to eliminate duplicates Z: 25 21.597 1.940 1.064 0.630 0.958 0.708 CB 1.016 25 residues pruned to eliminate duplicates Z: 40 19.193 1.767 0.700 0.424 0.897 0.615 CB 1.234 31 residues pruned to eliminate duplicates Z: 23 27.504 1.981 0.494 0.874 1.000 0.864 CA 1.442 23 residues pruned to eliminate duplicates 6 1.337 1.475 0.080 0.782 0.800 0.600 CB 0.366 ? Z: 10 5.659 1.628 0.468 0.406 0.778 0.667 CB 1.120 Z: 48 29.418 1.886 0.616 0.683 0.915 0.723 CB 1.301 48 residues pruned to eliminate duplicates Z: 13 14.082 1.751 0.495 0.916 1.000 1.000 CB 1.097 13 residues pruned to eliminate duplicates Z: 40 40.153 2.051 0.996 0.587 0.949 0.615 CB 1.523 41 residues pruned to eliminate duplicates Z: 8 10.725 1.662 0.405 0.899 1.000 0.714 CB 1.241 8 residues pruned to eliminate duplicates Z: 8 7.973 1.681 0.889 0.623 0.714 0.429 CB 1.183 8 residues pruned to eliminate duplicates Z: 7 4.858 1.413 0.551 0.540 0.833 0.667 O 1.044 7 residues pruned to eliminate duplicates Z: 46 25.509 1.875 0.612 0.553 0.933 0.667 CB 1.280 46 residues pruned to eliminate duplicates Z: 9 4.805 1.688 0.108 0.382 0.750 0.625 O 1.373 9 residues pruned to eliminate duplicates Z: 48 29.349 1.871 0.704 0.585 0.936 0.660 CB 1.322 50 residues pruned to eliminate duplicates Z: 13 12.688 1.788 0.800 0.870 0.917 0.833 CB 0.906 13 residues pruned to eliminate duplicates Z: 21 15.826 1.843 0.622 0.511 0.900 0.700 CB 1.301 21 residues pruned to eliminate duplicates Z: 7 3.702 1.609 -0.041 0.517 1.000 0.333 CB 0.963 Z: 13 14.373 1.670 0.524 0.922 1.000 0.750 CA 1.146 13 residues pruned to eliminate duplicates Z: 9 5.065 1.630 0.139 0.574 0.875 0.750 CA 1.026 9 residues pruned to eliminate duplicates Z: 16 6.063 1.648 0.493 0.381 0.800 0.467 CB 0.902 13 residues pruned to eliminate duplicates Z: 7 5.933 1.590 0.390 0.870 1.000 0.833 CB 0.800 7 residues pruned to eliminate duplicates Z: 83 36.996 1.872 0.559 0.624 0.976 0.695 CB 1.277 83 residues pruned to eliminate duplicates Z: 16 23.166 1.915 0.866 0.882 0.933 0.600 CB 1.297 16 residues pruned to eliminate duplicates Z: 12 4.232 1.602 0.472 0.370 0.727 0.455 CB 0.855 Z: 48 35.944 1.980 0.831 0.579 0.957 0.638 CB 1.400 48 residues pruned to eliminate duplicates Z: 12 20.618 1.853 0.951 0.812 0.909 0.636 CB 1.442 12 residues pruned to eliminate duplicates Z: 15 7.073 1.672 0.611 0.305 0.714 0.429 N 1.220 15 residues pruned to eliminate duplicates Z: 6 3.053 1.734 0.154 0.277 1.000 0.800 CB 0.878 Z: 9 5.337 1.583 0.047 0.554 1.000 0.875 CB 1.081 Z: 14 14.269 1.914 1.024 0.553 0.769 0.692 CB 1.262 14 residues pruned to eliminate duplicates Z: 29 21.015 1.822 0.653 0.636 0.929 0.714 CB 1.250 29 residues pruned to eliminate duplicates Z: 14 7.757 1.798 0.410 0.349 1.000 0.615 CB 1.000 7 residues pruned to eliminate duplicates Z: 7 3.637 1.744 0.927 0.264 0.500 0.500 CB 1.157 Z: 42 27.753 1.909 0.626 0.637 0.927 0.707 CB 1.325 41 residues pruned to eliminate duplicates Z: 33 26.095 1.882 0.833 0.526 0.938 0.625 CA 1.390 33 residues pruned to eliminate duplicates Z: 6 7.082 1.668 0.298 0.623 1.000 0.600 CB 1.302 6 residues pruned to eliminate duplicates Z: 7 3.071 1.434 0.284 0.349 0.833 0.500 CB 0.962 Z: 11 15.438 2.002 1.088 0.905 1.000 0.700 CB 0.831 11 residues pruned to eliminate duplicates Z: 7 4.378 1.231 0.672 0.718 0.833 0.833 N 0.856 Z: 32 25.916 1.932 0.565 0.666 1.000 0.613 CB 1.321 32 residues pruned to eliminate duplicates Z: 7 4.772 1.721 0.557 0.250 0.833 0.333 CB 1.164 Z: 16 8.540 1.647 0.500 0.386 0.867 0.400 CA 1.162 Z: 37 18.877 1.853 0.715 0.440 0.889 0.500 CB 1.184 37 residues pruned to eliminate duplicates Z: 7 5.262 1.609 0.359 0.865 1.000 1.000 CB 0.719 7 residues pruned to eliminate duplicates Z: 12 13.315 1.787 0.911 0.459 0.909 0.545 CA 1.348 13 residues pruned to eliminate duplicates Z: 7 4.809 1.607 0.447 0.408 0.833 0.500 CB 1.116 Z: 6 5.290 1.564 0.663 0.675 1.000 0.600 CB 0.774 6 residues pruned to eliminate duplicates Z: 23 30.748 1.918 0.914 0.892 0.955 0.500 CB 1.344 23 residues pruned to eliminate duplicates Z: 16 13.021 1.873 0.723 0.477 0.933 0.667 CB 1.142 16 residues pruned to eliminate duplicates Z: 12 13.948 1.698 0.539 0.896 1.000 0.909 CA 1.153 12 residues pruned to eliminate duplicates Z: 7 7.737 1.684 0.282 0.890 1.000 0.667 CB 1.052 7 residues pruned to eliminate duplicates 6 0.701 1.351 0.490 0.301 0.600 0.400 CB 0.324 ? Z: 18 10.249 1.779 0.477 0.389 0.882 0.529 CA 1.206 18 residues pruned to eliminate duplicates Z: 18 14.590 1.828 0.781 0.509 0.882 0.471 CB 1.221 18 residues pruned to eliminate duplicates Z: 6 2.781 1.542 0.059 0.585 0.800 0.600 O 0.878 Z: 8 8.151 1.616 0.942 0.454 0.857 0.571 CB 1.201 8 residues pruned to eliminate duplicates Z: 6 2.920 1.228 0.948 0.295 0.800 0.400 N 0.858 Z: 35 26.279 1.843 0.892 0.449 0.941 0.618 CB 1.447 36 residues pruned to eliminate duplicates Z: 12 5.939 1.675 0.386 0.404 0.818 0.636 CB 1.043 12 residues pruned to eliminate duplicates Z: 7 3.867 1.442 0.503 0.324 0.833 0.667 CA 1.061 6 1.604 1.548 -0.436 0.371 1.000 0.600 CB 0.943 ? Z: 39 26.937 1.852 0.659 0.645 0.947 0.763 CB 1.312 39 residues pruned to eliminate duplicates Z: 8 4.196 1.599 0.233 0.307 0.857 0.286 CB 1.163 Z: 21 7.550 1.642 0.401 0.253 0.800 0.400 CB 1.219 21 residues pruned to eliminate duplicates Z: 40 25.686 1.823 0.638 0.637 0.949 0.692 CB 1.277 40 residues pruned to eliminate duplicates Z: 8 2.340 1.392 0.391 0.195 0.857 0.429 CB 0.767 Z: 22 18.431 1.880 0.750 0.510 0.857 0.667 CA 1.412 20 residues pruned to eliminate duplicates Z: 36 20.343 1.866 0.543 0.457 0.943 0.543 CB 1.323 38 residues pruned to eliminate duplicates Z: 11 15.448 1.704 0.942 0.885 0.800 0.600 CB 1.332 11 residues pruned to eliminate duplicates Z: 11 6.347 1.724 0.437 0.367 0.800 0.500 CB 1.169 Z: 12 17.820 1.769 1.343 0.917 1.000 0.545 CB 0.915 12 residues pruned to eliminate duplicates Z: 6 3.220 1.462 1.397 0.177 0.800 0.200 CB 0.759 Z: 7 5.822 1.586 0.563 0.482 1.000 0.667 CB 0.976 7 residues pruned to eliminate duplicates Z: 20 14.586 1.764 0.657 0.585 0.842 0.632 CB 1.254 20 residues pruned to eliminate duplicates Z: 24 28.386 1.921 0.599 0.889 1.000 0.826 CA 1.387 24 residues pruned to eliminate duplicates Z: 7 4.763 1.463 0.824 0.393 0.833 0.500 CB 0.979 3 residues pruned to eliminate duplicates Z: 77 32.562 1.877 0.628 0.569 0.934 0.618 CB 1.224 77 residues pruned to eliminate duplicates Z: 12 7.638 1.976 0.526 0.519 0.636 0.364 CB 1.178 12 residues pruned to eliminate duplicates Z: 22 33.374 1.943 1.162 0.877 0.952 0.571 CB 1.322 29 residues pruned to eliminate duplicates 6 0.587 1.251 0.363 0.293 0.600 0.400 CB 0.323 ? Z: 15 19.161 1.761 0.810 0.775 1.000 0.786 CA 1.261 15 residues pruned to eliminate duplicates Z: 57 31.320 1.965 0.690 0.526 0.911 0.625 CB 1.349 57 residues pruned to eliminate duplicates Z: 46 29.656 1.969 0.659 0.557 0.911 0.644 CB 1.405 46 residues pruned to eliminate duplicates Z: 7 4.094 1.630 0.473 0.347 1.000 0.333 CB 0.822 Z: 8 2.036 1.479 -0.016 0.273 0.714 0.429 CB 0.957 Z: 6 8.091 1.482 1.053 0.848 1.000 0.600 CA 0.882 5 residues pruned to eliminate duplicates Z: 12 15.547 1.802 0.882 0.922 0.909 0.818 CB 1.070 12 residues pruned to eliminate duplicates Z: 17 15.426 1.751 0.839 0.674 0.875 0.250 CB 1.166 24 residues pruned to eliminate duplicates Z: 6 4.154 1.532 0.247 0.868 1.000 1.000 CB 0.711 6 residues pruned to eliminate duplicates 6 1.938 1.330 0.752 0.298 0.600 0.400 N 0.777 ? Z: 6 2.635 1.584 0.301 0.447 0.800 0.600 CB 0.755 Z: 37 20.129 1.879 0.623 0.447 0.889 0.667 CB 1.306 37 residues pruned to eliminate duplicates Z: 14 12.236 1.775 0.576 0.706 0.769 0.615 CB 1.308 6 residues pruned to eliminate duplicates Z: 9 9.278 1.767 0.691 0.457 0.875 0.500 CA 1.311 9 residues pruned to eliminate duplicates Z: 34 22.017 1.854 0.710 0.589 0.879 0.667 CB 1.263 34 residues pruned to eliminate duplicates Z: 9 3.259 1.384 0.447 0.299 0.750 0.250 CB 0.960 Z: 15 7.318 1.544 0.414 0.651 0.786 0.714 CB 0.991 15 residues pruned to eliminate duplicates Z: 8 5.623 1.560 0.525 0.352 0.857 0.429 CB 1.223 Z: 11 8.902 1.307 0.681 0.813 0.900 0.600 CB 1.085 10 residues pruned to eliminate duplicates Z: 8 14.900 1.905 1.470 0.459 0.857 0.857 CA 1.455 8 residues pruned to eliminate duplicates Z: 38 27.419 1.959 0.661 0.660 0.946 0.703 CB 1.262 38 residues pruned to eliminate duplicates Z: 7 9.242 1.863 0.926 0.416 0.833 0.333 CB 1.377 7 residues pruned to eliminate duplicates Z: 10 12.579 1.741 1.011 0.575 1.000 0.778 CB 1.114 10 residues pruned to eliminate duplicates Z: 9 8.812 1.414 0.756 0.904 1.000 0.750 CB 0.893 9 residues pruned to eliminate duplicates Z: 21 13.605 1.843 0.487 0.429 0.900 0.750 CB 1.327 21 residues pruned to eliminate duplicates Z: 6 2.045 1.179 0.643 0.478 0.800 0.400 N 0.603 Z: 39 18.881 1.862 0.589 0.414 0.895 0.553 CB 1.266 39 residues pruned to eliminate duplicates Z: 22 32.356 2.048 0.661 0.858 1.000 0.810 CB 1.528 22 residues pruned to eliminate duplicates Z: 8 6.688 1.624 0.998 0.594 0.857 0.714 CB 0.831 Z: 15 12.433 1.664 0.568 0.693 0.857 0.500 CB 1.246 15 residues pruned to eliminate duplicates Z: 11 20.045 1.718 0.911 0.912 1.000 0.600 CB 1.367 11 residues pruned to eliminate duplicates Z: 23 8.666 1.468 0.320 0.550 0.955 0.409 CB 0.951 23 residues pruned to eliminate duplicates Z: 42 34.658 2.054 1.058 0.524 0.878 0.610 CB 1.425 42 residues pruned to eliminate duplicates Z: 44 28.430 1.883 0.719 0.552 0.977 0.605 CB 1.304 70 residues pruned to eliminate duplicates Z: 24 19.849 1.796 0.383 0.923 1.000 0.957 CA 1.171 24 residues pruned to eliminate duplicates Z: 12 4.222 1.601 0.168 0.382 0.636 0.455 CA 1.213 12 residues pruned to eliminate duplicates Z: 7 3.591 1.519 0.757 0.433 0.500 0.500 O 1.178 7 residues pruned to eliminate duplicates Z: 24 30.197 1.960 0.714 0.851 1.000 0.739 CA 1.387 24 residues pruned to eliminate duplicates Z: 53 26.071 1.847 0.712 0.494 0.885 0.538 CB 1.300 53 residues pruned to eliminate duplicates Z: 7 5.040 1.730 0.486 0.559 1.000 0.667 CB 0.756 7 residues pruned to eliminate duplicates Z: 11 16.571 1.855 0.629 0.919 1.000 0.900 CB 1.222 11 residues pruned to eliminate duplicates Z: 7 6.144 1.679 0.624 0.442 0.833 0.667 CB 1.172 6 residues pruned to eliminate duplicates Z: 11 24.505 1.921 1.286 0.931 1.000 0.900 CB 1.233 11 residues pruned to eliminate duplicates Z: 11 5.535 1.756 0.133 0.248 0.900 0.800 CA 1.307 11 residues pruned to eliminate duplicates Z: 17 7.754 1.604 0.604 0.326 0.812 0.562 CB 1.123 17 residues pruned to eliminate duplicates 6 1.335 1.299 0.877 0.448 0.600 0.600 CB 0.430 ? Z: 23 27.346 1.981 0.756 0.844 1.000 0.727 CB 1.247 23 residues pruned to eliminate duplicates Z: 11 26.186 1.988 1.341 0.926 1.000 0.900 CB 1.248 11 residues pruned to eliminate duplicates Z: 6 6.560 1.614 0.496 0.761 0.800 0.400 CB 1.204 6 residues pruned to eliminate duplicates Z: 16 12.578 1.756 0.597 0.515 0.867 0.733 CA 1.316 16 residues pruned to eliminate duplicates Z: 21 13.372 1.817 0.708 0.586 0.900 0.700 CB 0.987 21 residues pruned to eliminate duplicates Z: 11 3.210 1.371 0.444 0.231 0.800 0.600 N 0.877 Z: 49 28.817 1.905 0.817 0.568 0.896 0.562 CB 1.256 52 residues pruned to eliminate duplicates Z: 13 28.345 2.066 0.964 0.893 1.000 1.000 CA 1.448 13 residues pruned to eliminate duplicates Z: 9 5.531 1.497 0.539 0.359 0.875 0.375 CB 1.130 9 residues pruned to eliminate duplicates Z: 27 18.771 1.742 0.533 0.713 0.923 0.615 CB 1.231 27 residues pruned to eliminate duplicates Z: 7 10.950 1.729 0.690 0.740 1.000 0.500 CA 1.234 7 residues pruned to eliminate duplicates Z: 7 3.253 1.570 0.109 0.548 0.667 0.667 CB 1.091 7 residues pruned to eliminate duplicates Z: 14 17.806 1.894 0.927 0.817 0.923 0.769 CA 1.113 14 residues pruned to eliminate duplicates 6 1.644 1.187 0.026 0.421 0.800 0.400 O 0.819 ? Z: 9 11.250 1.809 0.807 0.555 1.000 0.625 CB 1.153 9 residues pruned to eliminate duplicates 6 1.740 1.433 0.008 0.407 1.000 0.800 CB 0.594 ? Z: 17 5.175 1.600 0.260 0.375 0.688 0.562 CB 1.067 17 residues pruned to eliminate duplicates Z: 7 10.887 1.541 0.831 0.773 1.000 0.500 CB 1.238 7 residues pruned to eliminate duplicates 1224 residues left after pruning, divided into chains as follows: A: 7 B: 12 C: 26 D: 34 E: 41 F: 6 G: 41 H: 11 I: 13 J: 128 K: 6 L: 31 M: 22 N: 39 O: 40 P: 38 Q: 11 R: 39 S: 41 T: 43 U: 78 V: 40 W: 119 X: 39 Y: 124 Z: 20 Z: 10 Z: 8 Z: 82 Z: 40 Z: 35 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 40.43 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.506, Connect. = 0.747 for dens.mod. cycle 1 = 0.300, Contrast = 0.597, Connect. = 0.774 for dens.mod. cycle 2 = 0.300, Contrast = 0.729, Connect. = 0.794 for dens.mod. cycle 3 = 0.300, Contrast = 0.753, Connect. = 0.797 for dens.mod. cycle 4 = 0.300, Contrast = 0.772, Connect. = 0.798 for dens.mod. cycle 5 = 0.300, Contrast = 0.779, Connect. = 0.800 for dens.mod. cycle 6 = 0.300, Contrast = 0.786, Connect. = 0.801 for dens.mod. cycle 7 = 0.300, Contrast = 0.789, Connect. = 0.802 for dens.mod. cycle 8 = 0.300, Contrast = 0.792, Connect. = 0.803 for dens.mod. cycle 9 = 0.300, Contrast = 0.792, Connect. = 0.803 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 5734 peaks > 0.5 sigma used to seed fragment search Space for about 2008 unique residues taking solvent into account 1391 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 12 31.740 2.153 1.092 0.851 0.909 0.727 CA 1.730 B: 14 31.319 2.073 1.141 0.843 1.000 0.846 CB 1.457 C: 18 18.944 2.094 0.660 0.480 0.882 0.529 CB 1.529 D: 12 28.780 2.198 0.858 0.904 1.000 1.000 CA 1.513 12 residues pruned to eliminate duplicates E: 13 25.353 2.137 0.722 0.879 1.000 1.000 CA 1.443 13 residues pruned to eliminate duplicates F: 13 26.209 2.072 0.752 0.903 1.000 0.917 CA 1.485 G: 66 44.211 2.044 0.764 0.622 0.954 0.708 CB 1.421 H: 40 37.470 2.100 1.011 0.496 0.949 0.410 CB 1.503 14 residues pruned to eliminate duplicates I: 22 37.157 2.090 0.819 0.903 1.000 0.619 CA 1.520 J: 14 27.948 2.030 0.948 0.849 1.000 0.846 CA 1.453 14 residues pruned to eliminate duplicates K: 23 34.617 2.114 0.681 0.863 1.000 0.773 CA 1.524 L: 13 24.135 2.134 0.690 0.883 0.917 0.917 CA 1.524 13 residues pruned to eliminate duplicates M: 12 17.544 1.980 0.752 0.882 1.000 0.727 CB 1.104 N: 14 27.740 1.957 1.127 0.834 1.000 0.846 CB 1.385 14 residues pruned to eliminate duplicates O: 13 33.843 2.139 1.156 0.867 1.000 0.750 CB 1.551 12 residues pruned to eliminate duplicates P: 12 26.261 2.108 0.870 0.890 1.000 0.909 CA 1.446 12 residues pruned to eliminate duplicates Q: 24 29.255 1.932 0.811 0.841 1.000 0.565 CB 1.299 R: 11 18.919 1.990 0.830 0.888 1.000 0.900 CB 1.183 12 residues pruned to eliminate duplicates S: 13 23.842 2.056 0.939 0.818 0.917 0.833 CA 1.428 13 residues pruned to eliminate duplicates T: 12 30.962 2.113 1.073 0.889 1.000 0.909 CA 1.535 U: 13 22.536 1.935 0.936 0.866 1.000 0.667 CB 1.272 V: 14 13.357 1.896 0.857 0.755 0.923 0.846 CB 0.908 W: 13 26.363 2.136 0.740 0.878 1.000 0.917 CA 1.485 13 residues pruned to eliminate duplicates X: 13 27.160 2.115 0.981 0.839 1.000 0.750 CA 1.398 13 residues pruned to eliminate duplicates Y: 14 26.361 1.917 1.085 0.879 1.000 0.923 CA 1.327 Z: 13 27.701 2.144 0.785 0.857 1.000 0.833 CA 1.540 12 residues pruned to eliminate duplicates Z: 12 22.427 2.126 0.706 0.860 1.000 1.000 CA 1.370 12 residues pruned to eliminate duplicates Z: 13 27.674 2.064 1.185 0.849 1.000 0.833 CA 1.313 13 residues pruned to eliminate duplicates Z: 24 36.358 2.043 0.882 0.870 1.000 0.652 CB 1.439 23 residues pruned to eliminate duplicates Z: 13 22.968 1.957 0.862 0.842 0.917 0.750 N 1.480 13 residues pruned to eliminate duplicates Z: 12 23.463 2.139 0.686 0.879 1.000 1.000 CA 1.423 12 residues pruned to eliminate duplicates Z: 14 14.571 1.763 0.284 0.896 1.000 1.000 CA 1.279 Z: 15 26.512 1.953 1.041 0.837 1.000 0.857 CB 1.330 15 residues pruned to eliminate duplicates Z: 13 33.378 2.143 1.259 0.882 1.000 0.917 CA 1.440 13 residues pruned to eliminate duplicates Z: 23 36.430 2.102 0.817 0.896 0.955 0.909 CB 1.526 23 residues pruned to eliminate duplicates Z: 13 29.330 2.105 1.016 0.827 1.000 0.833 CA 1.503 13 residues pruned to eliminate duplicates Z: 22 12.011 1.707 0.630 0.414 0.857 0.429 CA 1.203 Z: 23 35.514 2.078 0.791 0.882 0.955 0.773 CB 1.542 23 residues pruned to eliminate duplicates Z: 13 15.614 1.714 0.551 0.871 0.917 0.833 CA 1.349 Z: 13 25.440 2.004 0.970 0.908 1.000 0.917 CA 1.321 13 residues pruned to eliminate duplicates Z: 9 13.970 1.655 1.210 0.711 0.875 0.625 CA 1.274 Z: 13 21.202 1.981 0.789 0.821 0.917 0.667 CA 1.426 13 residues pruned to eliminate duplicates Z: 44 30.623 2.017 0.717 0.596 0.953 0.698 CB 1.291 Z: 12 22.999 1.828 1.047 0.922 1.000 0.909 CB 1.303 Z: 13 21.130 2.112 0.417 0.858 1.000 0.833 CA 1.502 13 residues pruned to eliminate duplicates Z: 14 17.981 1.832 0.892 0.899 1.000 0.769 CA 1.028 14 residues pruned to eliminate duplicates Z: 57 35.297 2.011 0.943 0.414 0.875 0.589 CB 1.510 13 residues pruned to eliminate duplicates Z: 27 20.839 1.963 0.643 0.630 0.885 0.500 CB 1.268 Z: 11 21.487 1.974 1.121 0.911 1.000 0.800 CB 1.150 11 residues pruned to eliminate duplicates Z: 12 23.407 1.958 1.374 0.857 1.000 0.909 CB 1.119 Z: 24 26.528 2.002 0.776 0.792 0.913 0.609 CB 1.318 24 residues pruned to eliminate duplicates Z: 12 14.020 1.692 0.453 0.898 1.000 0.909 CB 1.230 Z: 25 33.359 2.009 0.685 0.876 1.000 0.708 CA 1.462 Z: 14 23.625 1.890 0.847 0.840 1.000 0.769 CA 1.401 14 residues pruned to eliminate duplicates Z: 23 34.515 2.066 0.760 0.861 1.000 0.818 CB 1.486 23 residues pruned to eliminate duplicates Z: 42 20.349 1.919 0.602 0.435 0.902 0.610 CB 1.225 Z: 12 22.915 2.046 0.688 0.919 1.000 0.909 CB 1.410 12 residues pruned to eliminate duplicates Z: 65 35.650 2.017 0.527 0.636 0.938 0.734 CA 1.358 22 residues pruned to eliminate duplicates Z: 23 34.545 2.072 0.824 0.868 0.955 0.591 CB 1.492 23 residues pruned to eliminate duplicates Z: 24 33.720 2.057 0.883 0.879 1.000 0.783 CA 1.317 25 residues pruned to eliminate duplicates Z: 6 11.985 1.940 0.684 0.829 0.800 0.200 CA 1.543 Z: 15 24.299 1.872 0.823 0.853 1.000 0.786 CA 1.407 15 residues pruned to eliminate duplicates Z: 15 16.676 1.774 0.741 0.826 0.929 0.786 CB 1.172 15 residues pruned to eliminate duplicates Z: 24 27.777 2.099 0.425 0.859 1.000 0.870 CA 1.425 24 residues pruned to eliminate duplicates Z: 11 12.575 1.967 0.827 0.852 0.900 0.800 CB 0.909 10 residues pruned to eliminate duplicates Z: 7 15.441 1.744 1.155 0.879 1.000 0.833 CA 1.216 7 residues pruned to eliminate duplicates Z: 13 28.730 2.031 0.909 0.840 1.000 0.917 CA 1.597 13 residues pruned to eliminate duplicates Z: 11 22.553 2.031 1.057 0.839 1.000 0.900 CB 1.275 11 residues pruned to eliminate duplicates Z: 14 10.876 1.788 0.373 0.562 0.846 0.615 CA 1.368 14 residues pruned to eliminate duplicates Z: 12 26.378 2.138 1.068 0.873 1.000 0.727 CA 1.310 12 residues pruned to eliminate duplicates Z: 15 15.084 1.817 0.410 0.845 0.929 0.786 CB 1.260 15 residues pruned to eliminate duplicates Z: 34 20.744 1.991 0.495 0.430 0.939 0.606 CB 1.389 Z: 13 20.923 1.972 0.879 0.876 0.917 0.667 CB 1.292 13 residues pruned to eliminate duplicates Z: 20 14.255 1.722 0.619 0.557 0.895 0.421 CB 1.241 Z: 23 26.673 2.013 0.603 0.847 0.955 0.682 CA 1.371 Z: 23 35.981 2.080 0.916 0.862 1.000 0.773 CB 1.413 23 residues pruned to eliminate duplicates Z: 12 19.644 1.894 0.882 0.870 1.000 0.818 CB 1.213 12 residues pruned to eliminate duplicates Z: 12 23.771 2.130 0.731 0.849 1.000 0.727 CA 1.440 12 residues pruned to eliminate duplicates Z: 13 26.730 1.966 0.903 0.819 1.000 0.833 CB 1.564 13 residues pruned to eliminate duplicates Z: 22 37.100 2.082 0.846 0.883 1.000 0.667 CA 1.524 22 residues pruned to eliminate duplicates Z: 13 6.329 1.642 0.447 0.447 0.750 0.500 CB 1.082 Z: 14 19.675 1.907 0.875 0.806 0.923 0.692 CA 1.266 14 residues pruned to eliminate duplicates Z: 10 15.394 2.019 1.131 0.908 0.889 0.778 CB 0.953 10 residues pruned to eliminate duplicates Z: 12 15.365 1.865 0.541 0.850 0.909 0.818 CA 1.314 12 residues pruned to eliminate duplicates Z: 12 19.920 2.114 0.561 0.873 1.000 1.000 CA 1.326 12 residues pruned to eliminate duplicates Z: 12 23.969 1.981 1.073 0.853 1.000 0.727 CA 1.301 12 residues pruned to eliminate duplicates Z: 14 29.384 1.943 1.090 0.881 1.000 0.846 CA 1.453 14 residues pruned to eliminate duplicates Z: 32 26.278 1.926 0.617 0.615 0.935 0.645 CB 1.452 Z: 23 26.753 1.997 0.498 0.853 0.955 0.864 CA 1.476 23 residues pruned to eliminate duplicates Z: 13 26.238 1.995 1.087 0.865 1.000 1.000 CA 1.333 13 residues pruned to eliminate duplicates Z: 12 29.366 2.182 0.981 0.869 0.909 0.545 CB 1.645 12 residues pruned to eliminate duplicates Z: 24 29.921 1.993 0.593 0.873 1.000 0.783 CA 1.431 24 residues pruned to eliminate duplicates Z: 12 15.278 1.858 0.457 0.853 0.909 0.727 CA 1.384 12 residues pruned to eliminate duplicates Z: 12 20.604 2.092 0.694 0.863 0.909 0.818 CB 1.415 12 residues pruned to eliminate duplicates Z: 23 27.504 2.056 0.621 0.843 0.955 0.773 CA 1.373 23 residues pruned to eliminate duplicates Z: 12 22.263 1.962 1.164 0.875 1.000 0.818 CB 1.150 12 residues pruned to eliminate duplicates Z: 8 4.614 1.810 0.256 0.430 0.714 0.429 CB 1.154 8 residues pruned to eliminate duplicates Z: 24 25.246 1.969 0.569 0.825 0.957 0.652 CB 1.345 24 residues pruned to eliminate duplicates Z: 8 11.964 1.565 0.734 0.892 1.000 0.857 CA 1.197 8 residues pruned to eliminate duplicates Z: 17 16.765 1.916 0.718 0.404 0.938 0.375 CB 1.502 Z: 7 14.546 1.897 0.875 0.755 1.000 0.500 CB 1.330 12 residues pruned to eliminate duplicates Z: 8 12.262 1.913 0.725 0.619 0.857 0.429 CA 1.465 8 residues pruned to eliminate duplicates Z: 15 26.812 1.829 1.424 0.817 1.000 0.929 CB 1.227 15 residues pruned to eliminate duplicates Z: 14 24.912 2.063 1.011 0.812 0.846 0.769 CA 1.500 14 residues pruned to eliminate duplicates Z: 12 28.822 2.052 0.983 0.922 1.000 0.909 CA 1.501 12 residues pruned to eliminate duplicates Z: 14 29.071 2.055 0.899 0.856 1.000 0.846 CA 1.524 14 residues pruned to eliminate duplicates Z: 12 24.589 2.050 0.991 0.824 0.909 0.636 CA 1.509 12 residues pruned to eliminate duplicates Z: 7 15.550 1.717 1.190 0.795 1.000 0.333 CB 1.304 7 residues pruned to eliminate duplicates Z: 22 25.395 2.010 0.517 0.873 0.952 0.857 CA 1.390 23 residues pruned to eliminate duplicates Z: 14 23.757 1.973 0.934 0.802 0.923 0.615 CB 1.437 14 residues pruned to eliminate duplicates Z: 11 17.060 1.908 0.799 0.919 1.000 1.000 CB 1.107 11 residues pruned to eliminate duplicates Z: 23 22.659 2.010 0.522 0.842 0.909 0.818 CA 1.295 23 residues pruned to eliminate duplicates Z: 12 27.090 2.038 0.938 0.896 1.000 0.636 CA 1.481 12 residues pruned to eliminate duplicates Z: 13 25.289 2.061 0.838 0.837 1.000 0.750 CA 1.441 13 residues pruned to eliminate duplicates Z: 21 23.344 2.003 0.452 0.871 1.000 0.900 CA 1.309 21 residues pruned to eliminate duplicates Z: 24 28.656 2.035 0.506 0.879 1.000 0.826 CA 1.414 24 residues pruned to eliminate duplicates Z: 13 18.721 1.932 0.981 0.903 0.833 0.667 CB 1.208 13 residues pruned to eliminate duplicates Z: 12 17.878 1.773 0.779 0.884 1.000 0.818 CA 1.235 11 residues pruned to eliminate duplicates Z: 19 18.539 1.963 0.793 0.455 0.889 0.333 CB 1.463 18 residues pruned to eliminate duplicates Z: 27 18.444 1.875 0.476 0.528 0.962 0.731 CB 1.322 24 residues pruned to eliminate duplicates Z: 14 26.163 1.898 0.889 0.876 1.000 0.846 N 1.471 14 residues pruned to eliminate duplicates Z: 13 24.949 2.087 0.671 0.874 1.000 0.917 CA 1.504 13 residues pruned to eliminate duplicates Z: 43 26.633 2.052 0.662 0.415 0.857 0.524 CB 1.537 34 residues pruned to eliminate duplicates Z: 23 40.152 2.063 0.993 0.885 1.000 0.727 CA 1.503 23 residues pruned to eliminate duplicates Z: 13 23.105 1.952 0.912 0.921 0.917 0.750 CB 1.372 13 residues pruned to eliminate duplicates Z: 12 15.634 1.934 0.903 0.923 1.000 0.909 CB 0.900 Z: 14 22.181 1.849 1.104 0.892 1.000 0.769 CA 1.136 14 residues pruned to eliminate duplicates Z: 23 27.998 2.082 0.404 0.910 1.000 1.000 CA 1.448 23 residues pruned to eliminate duplicates Z: 41 17.239 1.874 0.687 0.431 0.850 0.600 CB 1.089 41 residues pruned to eliminate duplicates Z: 14 22.255 1.875 0.982 0.896 1.000 0.692 CB 1.190 14 residues pruned to eliminate duplicates Z: 27 14.463 1.862 0.565 0.457 0.846 0.538 CB 1.203 6 residues pruned to eliminate duplicates Z: 42 39.656 2.091 0.981 0.508 0.927 0.683 CB 1.600 42 residues pruned to eliminate duplicates Z: 14 15.674 1.749 0.386 0.849 1.000 0.846 CB 1.329 14 residues pruned to eliminate duplicates Z: 10 9.802 1.601 0.829 0.684 0.778 0.556 CB 1.211 10 residues pruned to eliminate duplicates Z: 13 18.576 1.969 0.620 0.885 0.917 0.917 CA 1.325 13 residues pruned to eliminate duplicates Z: 24 25.343 2.078 0.359 0.847 0.957 0.870 CA 1.452 24 residues pruned to eliminate duplicates Z: 24 38.895 2.043 1.034 0.902 1.000 0.696 CA 1.391 24 residues pruned to eliminate duplicates Z: 38 31.055 2.049 0.742 0.595 0.892 0.622 CB 1.465 38 residues pruned to eliminate duplicates Z: 38 29.473 1.967 0.722 0.602 0.973 0.730 CB 1.334 38 residues pruned to eliminate duplicates Z: 12 23.388 2.123 0.723 0.870 1.000 0.818 CA 1.407 12 residues pruned to eliminate duplicates Z: 38 25.861 2.069 0.517 0.572 0.865 0.622 CA 1.461 38 residues pruned to eliminate duplicates Z: 12 18.133 1.783 0.997 0.867 1.000 0.909 CA 1.123 12 residues pruned to eliminate duplicates Z: 36 24.880 1.922 0.638 0.697 0.943 0.714 CB 1.184 22 residues pruned to eliminate duplicates Z: 98 41.338 1.971 0.683 0.602 0.897 0.629 CB 1.280 69 residues pruned to eliminate duplicates Z: 23 23.889 1.970 0.544 0.874 0.955 0.682 CB 1.277 23 residues pruned to eliminate duplicates Z: 82 43.647 1.997 0.657 0.624 0.938 0.691 CB 1.389 78 residues pruned to eliminate duplicates Z: 12 20.673 1.810 1.273 0.909 0.818 0.818 CB 1.315 12 residues pruned to eliminate duplicates Z: 14 23.690 2.013 0.911 0.875 0.923 0.692 CA 1.345 14 residues pruned to eliminate duplicates Z: 23 32.039 2.063 0.608 0.876 1.000 0.727 CB 1.497 23 residues pruned to eliminate duplicates Z: 8 12.113 1.732 0.922 0.768 0.857 0.429 CA 1.266 8 residues pruned to eliminate duplicates Z: 8 8.061 1.963 0.755 0.441 0.857 0.571 CB 1.097 Z: 12 15.348 1.920 0.969 0.905 0.909 0.818 CB 0.958 12 residues pruned to eliminate duplicates Z: 24 41.732 2.086 0.991 0.874 1.000 0.826 CA 1.525 24 residues pruned to eliminate duplicates Z: 11 16.799 1.923 0.563 0.900 0.900 0.800 CA 1.403 11 residues pruned to eliminate duplicates Z: 6 4.292 1.533 0.203 0.652 0.800 0.800 CB 1.128 Z: 24 36.269 2.079 0.811 0.864 1.000 0.783 CB 1.472 24 residues pruned to eliminate duplicates Z: 14 22.332 1.844 0.732 0.860 1.000 0.692 CB 1.426 14 residues pruned to eliminate duplicates Z: 22 14.105 1.747 0.627 0.425 0.905 0.667 N 1.294 15 residues pruned to eliminate duplicates Z: 13 17.893 1.710 0.796 0.893 1.000 0.917 CB 1.208 13 residues pruned to eliminate duplicates Z: 35 34.332 2.036 0.850 0.728 0.941 0.559 CB 1.353 34 residues pruned to eliminate duplicates Z: 52 31.781 1.914 0.719 0.628 0.922 0.510 CB 1.302 52 residues pruned to eliminate duplicates Z: 23 37.992 2.107 0.817 0.895 1.000 0.636 CB 1.517 23 residues pruned to eliminate duplicates Z: 22 34.558 2.105 0.734 0.903 0.952 0.952 CA 1.546 22 residues pruned to eliminate duplicates Z: 38 22.816 1.944 0.558 0.534 0.919 0.676 CB 1.303 38 residues pruned to eliminate duplicates Z: 13 15.480 1.792 0.702 0.814 0.917 0.667 CA 1.216 13 residues pruned to eliminate duplicates Z: 23 35.203 2.104 0.842 0.898 0.955 0.818 CA 1.452 23 residues pruned to eliminate duplicates Z: 14 18.090 1.907 0.804 0.796 0.923 0.846 CA 1.218 14 residues pruned to eliminate duplicates Z: 23 31.501 2.059 0.838 0.859 0.955 0.727 CB 1.368 23 residues pruned to eliminate duplicates Z: 24 30.131 1.958 0.732 0.859 1.000 0.696 CB 1.364 24 residues pruned to eliminate duplicates Z: 36 17.488 1.902 0.734 0.519 0.800 0.600 CB 1.099 12 residues pruned to eliminate duplicates Z: 24 30.330 1.950 0.630 0.873 0.957 0.696 CB 1.516 24 residues pruned to eliminate duplicates Z: 13 21.395 1.967 0.743 0.869 1.000 0.917 CB 1.316 13 residues pruned to eliminate duplicates Z: 12 30.298 2.194 1.080 0.892 1.000 1.000 CA 1.437 12 residues pruned to eliminate duplicates Z: 15 15.834 1.843 0.577 0.746 0.857 0.714 CB 1.363 16 residues pruned to eliminate duplicates Z: 39 25.916 1.953 0.483 0.576 0.921 0.711 CA 1.465 14 residues pruned to eliminate duplicates Z: 26 23.625 2.006 0.461 0.794 0.920 0.840 CA 1.354 26 residues pruned to eliminate duplicates Z: 13 24.025 1.875 1.125 0.915 1.000 1.000 CA 1.230 13 residues pruned to eliminate duplicates Z: 23 36.476 2.105 0.783 0.898 1.000 0.818 CA 1.481 23 residues pruned to eliminate duplicates Z: 24 40.516 2.070 0.962 0.857 1.000 0.522 CA 1.533 24 residues pruned to eliminate duplicates Z: 14 11.071 1.933 0.593 0.522 0.846 0.615 CB 1.152 14 residues pruned to eliminate duplicates Z: 13 13.648 1.655 0.401 0.905 1.000 0.917 CA 1.210 13 residues pruned to eliminate duplicates Z: 23 25.958 1.917 0.766 0.873 0.864 0.500 CB 1.379 23 residues pruned to eliminate duplicates Z: 19 17.273 2.050 0.845 0.390 0.833 0.389 CB 1.452 9 residues pruned to eliminate duplicates Z: 29 24.206 2.007 0.511 0.715 0.893 0.750 CB 1.390 29 residues pruned to eliminate duplicates Z: 23 38.839 2.098 0.849 0.879 1.000 0.773 CA 1.548 23 residues pruned to eliminate duplicates Z: 23 28.989 2.012 0.680 0.849 0.955 0.773 CA 1.421 23 residues pruned to eliminate duplicates Z: 38 23.533 1.910 0.474 0.633 0.973 0.703 CB 1.247 38 residues pruned to eliminate duplicates Z: 6 5.527 1.765 0.609 0.627 0.800 0.600 CB 0.965 Z: 14 28.370 1.937 1.219 0.829 1.000 0.615 CB 1.378 14 residues pruned to eliminate duplicates Z: 23 37.752 2.092 0.909 0.861 0.955 0.727 CA 1.552 23 residues pruned to eliminate duplicates Z: 24 39.749 2.028 1.070 0.869 1.000 0.478 CA 1.442 24 residues pruned to eliminate duplicates Z: 9 11.947 1.867 0.542 0.759 0.875 0.875 N 1.332 9 residues pruned to eliminate duplicates Z: 46 27.554 1.983 0.642 0.566 0.911 0.667 CB 1.300 46 residues pruned to eliminate duplicates Z: 23 35.362 2.056 0.777 0.886 1.000 0.682 CB 1.489 23 residues pruned to eliminate duplicates Z: 23 26.287 1.953 0.540 0.885 1.000 0.864 CA 1.346 23 residues pruned to eliminate duplicates Z: 44 31.893 2.030 0.665 0.605 0.930 0.721 CB 1.399 44 residues pruned to eliminate duplicates Z: 52 27.057 2.004 0.561 0.511 0.922 0.588 CB 1.299 38 residues pruned to eliminate duplicates Z: 8 8.808 1.683 0.417 0.728 0.857 0.571 CA 1.326 8 residues pruned to eliminate duplicates Z: 10 3.986 1.767 0.591 0.320 0.556 0.444 N 1.037 10 residues pruned to eliminate duplicates Z: 10 4.993 1.615 0.311 0.617 0.667 0.667 CB 1.056 10 residues pruned to eliminate duplicates Z: 33 20.322 1.957 0.550 0.527 0.875 0.469 CB 1.318 27 residues pruned to eliminate duplicates Z: 23 35.282 2.048 0.946 0.868 0.955 0.727 CB 1.445 23 residues pruned to eliminate duplicates Z: 23 34.847 2.068 0.771 0.872 1.000 0.727 CA 1.478 23 residues pruned to eliminate duplicates Z: 24 32.762 1.983 0.963 0.877 1.000 0.696 CB 1.275 24 residues pruned to eliminate duplicates Z: 32 18.101 1.914 0.472 0.436 0.903 0.613 CB 1.364 Z: 12 10.642 1.556 0.791 0.669 0.909 0.636 CB 1.083 12 residues pruned to eliminate duplicates Z: 42 19.292 1.924 0.551 0.406 0.829 0.537 CB 1.343 14 residues pruned to eliminate duplicates Z: 8 6.273 1.564 0.484 0.737 0.857 0.857 CB 0.964 5 residues pruned to eliminate duplicates Z: 13 13.450 1.723 0.537 0.864 0.917 0.667 CA 1.173 13 residues pruned to eliminate duplicates Z: 14 16.690 1.813 0.545 0.869 1.000 0.923 CA 1.207 14 residues pruned to eliminate duplicates Z: 23 28.603 2.070 0.528 0.860 1.000 0.818 CA 1.417 23 residues pruned to eliminate duplicates Z: 22 36.453 2.077 0.893 0.866 1.000 0.571 CB 1.482 22 residues pruned to eliminate duplicates Z: 33 19.749 1.894 0.743 0.360 0.906 0.500 CB 1.357 33 residues pruned to eliminate duplicates Z: 11 18.649 1.899 0.880 0.914 1.000 0.900 CB 1.168 12 residues pruned to eliminate duplicates Z: 12 22.846 2.023 0.773 0.906 1.000 1.000 CA 1.366 12 residues pruned to eliminate duplicates Z: 13 21.404 1.969 0.870 0.827 1.000 0.667 CB 1.264 13 residues pruned to eliminate duplicates Z: 7 7.170 1.749 0.910 0.308 0.833 0.333 CB 1.301 6 residues pruned to eliminate duplicates Z: 14 18.310 1.806 0.528 0.835 1.000 0.846 CA 1.378 14 residues pruned to eliminate duplicates Z: 12 30.845 2.185 1.100 0.887 1.000 0.909 CA 1.461 12 residues pruned to eliminate duplicates Z: 12 17.897 1.888 0.877 0.929 1.000 0.909 CB 1.066 12 residues pruned to eliminate duplicates Z: 23 38.264 2.090 0.925 0.894 0.955 0.727 CA 1.525 24 residues pruned to eliminate duplicates Z: 13 19.798 1.821 0.689 0.886 1.000 0.750 CB 1.340 14 residues pruned to eliminate duplicates Z: 44 33.070 2.044 0.755 0.543 0.953 0.651 CB 1.413 53 residues pruned to eliminate duplicates Z: 6 4.775 1.754 0.494 0.654 0.600 0.600 CB 1.177 6 residues pruned to eliminate duplicates Z: 44 34.263 2.060 0.807 0.506 0.953 0.465 CB 1.463 43 residues pruned to eliminate duplicates Z: 17 7.688 1.922 0.577 0.217 0.688 0.438 CB 1.285 17 residues pruned to eliminate duplicates Z: 11 7.946 1.714 0.574 0.397 0.800 0.600 CB 1.299 7 residues pruned to eliminate duplicates Z: 37 24.649 1.911 0.497 0.580 0.944 0.611 CB 1.408 31 residues pruned to eliminate duplicates Z: 37 33.346 2.060 0.762 0.597 0.944 0.694 CB 1.478 37 residues pruned to eliminate duplicates Z: 32 32.676 2.049 0.667 0.740 0.968 0.806 CA 1.432 32 residues pruned to eliminate duplicates Z: 23 29.194 2.016 0.753 0.853 0.909 0.591 CA 1.431 23 residues pruned to eliminate duplicates Z: 13 16.965 1.861 0.794 0.860 1.000 0.917 CB 1.078 12 residues pruned to eliminate duplicates Z: 20 16.704 1.940 0.685 0.458 0.842 0.368 N 1.454 22 residues pruned to eliminate duplicates Z: 8 10.652 1.646 0.534 0.708 1.000 0.857 CA 1.319 Z: 23 19.966 1.919 0.682 0.832 0.864 0.545 CB 1.147 23 residues pruned to eliminate duplicates Z: 24 24.065 2.039 0.396 0.876 0.957 0.913 CA 1.340 24 residues pruned to eliminate duplicates Z: 35 30.314 2.054 0.731 0.555 0.941 0.618 CB 1.473 35 residues pruned to eliminate duplicates Z: 6 3.656 1.579 0.456 0.578 0.600 0.600 CA 1.100 Z: 14 13.712 1.898 0.386 0.525 1.000 0.692 CB 1.410 15 residues pruned to eliminate duplicates Z: 23 28.112 2.009 0.550 0.838 1.000 0.773 CA 1.438 23 residues pruned to eliminate duplicates Z: 44 38.828 2.064 0.791 0.556 0.953 0.581 CB 1.590 43 residues pruned to eliminate duplicates Z: 7 7.534 1.560 0.384 0.856 1.000 0.833 CB 1.051 7 residues pruned to eliminate duplicates Z: 41 37.885 2.125 1.037 0.481 0.925 0.575 CB 1.526 41 residues pruned to eliminate duplicates Z: 13 10.432 1.922 0.441 0.346 0.917 0.333 CB 1.403 Z: 11 18.823 1.920 0.683 0.919 1.000 0.900 CB 1.298 11 residues pruned to eliminate duplicates Z: 23 24.027 2.012 0.414 0.854 1.000 0.909 CA 1.330 23 residues pruned to eliminate duplicates Z: 8 15.042 1.876 0.888 0.711 0.857 0.571 CB 1.546 8 residues pruned to eliminate duplicates Z: 23 27.369 2.048 0.538 0.873 0.955 0.818 CA 1.413 23 residues pruned to eliminate duplicates Z: 13 16.968 1.966 0.622 0.868 1.000 0.833 CB 1.123 13 residues pruned to eliminate duplicates Z: 36 31.595 1.978 0.735 0.683 0.914 0.714 CA 1.439 36 residues pruned to eliminate duplicates Z: 14 20.389 1.957 0.774 0.853 0.923 0.769 CB 1.304 14 residues pruned to eliminate duplicates Z: 10 17.990 1.927 0.734 0.854 0.889 0.667 CB 1.491 10 residues pruned to eliminate duplicates Z: 13 11.489 1.907 0.856 0.836 0.917 0.667 CB 0.765 13 residues pruned to eliminate duplicates Z: 23 25.313 1.967 0.630 0.839 0.909 0.636 CA 1.383 23 residues pruned to eliminate duplicates Z: 24 26.355 1.974 0.657 0.875 0.913 0.696 CB 1.338 24 residues pruned to eliminate duplicates Z: 6 8.361 1.928 0.343 0.881 1.000 1.000 CB 1.045 6 residues pruned to eliminate duplicates Z: 25 25.700 1.894 0.558 0.823 0.958 0.708 CB 1.402 25 residues pruned to eliminate duplicates Z: 22 25.439 2.006 0.590 0.836 0.905 0.762 CB 1.440 22 residues pruned to eliminate duplicates Z: 12 24.940 2.126 0.878 0.870 1.000 0.909 CA 1.374 12 residues pruned to eliminate duplicates Z: 14 17.105 1.763 0.460 0.856 1.000 0.769 CB 1.360 14 residues pruned to eliminate duplicates Z: 23 15.042 1.877 0.518 0.599 0.864 0.591 CB 1.185 26 residues pruned to eliminate duplicates Z: 11 22.006 2.075 0.658 0.876 1.000 1.000 CA 1.470 11 residues pruned to eliminate duplicates Z: 25 29.218 1.991 0.562 0.878 1.000 0.917 CA 1.392 25 residues pruned to eliminate duplicates Z: 13 18.949 1.991 0.602 0.818 1.000 1.000 CA 1.301 13 residues pruned to eliminate duplicates Z: 22 23.466 2.024 0.285 0.898 1.000 0.905 CB 1.408 22 residues pruned to eliminate duplicates Z: 12 13.722 1.819 0.374 0.893 0.909 0.818 CA 1.307 12 residues pruned to eliminate duplicates Z: 37 21.429 1.955 0.407 0.567 0.917 0.722 CB 1.327 22 residues pruned to eliminate duplicates Z: 36 28.739 2.064 0.630 0.558 0.943 0.600 CA 1.448 35 residues pruned to eliminate duplicates Z: 13 18.332 1.865 0.773 0.863 1.000 0.750 CB 1.174 13 residues pruned to eliminate duplicates Z: 10 5.074 1.695 0.605 0.398 0.667 0.444 N 1.038 Z: 6 3.853 1.773 0.058 0.311 1.000 0.400 CB 1.133 6 residues pruned to eliminate duplicates Z: 47 29.966 2.009 0.599 0.593 0.935 0.652 CB 1.346 47 residues pruned to eliminate duplicates Z: 79 43.497 2.018 0.691 0.611 0.949 0.667 CB 1.369 70 residues pruned to eliminate duplicates Z: 12 18.352 1.970 0.623 0.918 1.000 0.818 CB 1.220 12 residues pruned to eliminate duplicates Z: 13 17.389 1.960 0.423 0.837 1.000 0.833 CB 1.346 13 residues pruned to eliminate duplicates Z: 12 18.601 1.945 0.881 0.916 0.909 0.818 CB 1.191 12 residues pruned to eliminate duplicates Z: 6 6.181 1.851 0.127 0.884 1.000 1.000 CB 0.957 6 residues pruned to eliminate duplicates Z: 7 2.082 1.579 0.314 0.385 0.667 0.500 CB 0.695 Z: 32 24.018 1.982 0.631 0.602 0.935 0.548 CB 1.294 32 residues pruned to eliminate duplicates Z: 40 31.226 2.044 0.793 0.501 0.897 0.513 CB 1.519 20 residues pruned to eliminate duplicates Z: 8 11.945 1.746 0.775 0.734 1.000 0.714 CB 1.181 8 residues pruned to eliminate duplicates Z: 9 9.685 1.923 0.410 0.560 0.875 0.625 CB 1.362 9 residues pruned to eliminate duplicates Z: 23 27.220 2.014 0.593 0.863 1.000 0.818 CA 1.328 23 residues pruned to eliminate duplicates Z: 14 13.165 1.861 0.379 0.612 0.923 0.462 CA 1.386 9 residues pruned to eliminate duplicates Z: 10 14.357 1.813 0.313 0.918 1.000 1.000 CB 1.418 10 residues pruned to eliminate duplicates Z: 42 18.977 1.892 0.586 0.396 0.902 0.561 CB 1.221 42 residues pruned to eliminate duplicates Z: 7 3.358 1.430 0.823 0.349 0.833 0.667 CA 0.743 Z: 8 10.681 1.844 0.714 0.724 0.857 0.714 CB 1.217 11 residues pruned to eliminate duplicates Z: 14 16.276 1.806 0.585 0.852 1.000 0.923 CA 1.166 14 residues pruned to eliminate duplicates Z: 22 22.371 1.968 0.457 0.846 0.905 0.762 CA 1.397 22 residues pruned to eliminate duplicates Z: 42 41.956 2.160 0.953 0.531 0.927 0.585 CB 1.625 41 residues pruned to eliminate duplicates Z: 9 12.314 1.596 0.820 0.741 1.000 0.375 CA 1.208 9 residues pruned to eliminate duplicates Z: 6 5.007 1.723 0.631 0.628 0.600 0.400 CB 1.177 6 residues pruned to eliminate duplicates Z: 16 16.521 1.884 0.749 0.613 0.733 0.533 CB 1.586 16 residues pruned to eliminate duplicates Z: 6 3.757 1.457 0.926 0.429 0.600 0.600 N 1.075 Z: 13 19.271 1.847 0.604 0.910 1.000 0.917 CA 1.331 13 residues pruned to eliminate duplicates Z: 39 16.320 1.791 0.499 0.455 0.842 0.579 CB 1.226 Z: 10 4.667 1.636 0.739 0.165 0.667 0.222 CB 1.234 4 residues pruned to eliminate duplicates Z: 9 4.898 1.856 0.405 0.335 0.750 0.375 CB 1.060 3 residues pruned to eliminate duplicates Z: 7 10.538 1.936 0.560 0.775 0.833 0.667 CA 1.341 7 residues pruned to eliminate duplicates Z: 48 27.693 1.926 0.626 0.611 0.936 0.553 CB 1.240 48 residues pruned to eliminate duplicates Z: 37 23.098 1.944 0.476 0.660 0.917 0.722 CB 1.262 29 residues pruned to eliminate duplicates Z: 24 36.387 2.020 1.025 0.891 0.957 0.565 CA 1.394 24 residues pruned to eliminate duplicates Z: 21 23.630 2.015 0.546 0.859 0.900 0.700 CB 1.387 21 residues pruned to eliminate duplicates Z: 39 45.279 2.166 0.977 0.550 0.974 0.553 CB 1.678 42 residues pruned to eliminate duplicates Z: 41 34.741 2.005 0.871 0.514 0.925 0.500 CA 1.561 30 residues pruned to eliminate duplicates Z: 9 10.383 1.842 0.539 0.606 0.875 0.625 CB 1.338 9 residues pruned to eliminate duplicates Z: 14 18.662 1.595 0.824 0.856 1.000 0.615 N 1.311 14 residues pruned to eliminate duplicates Z: 43 37.334 2.096 1.018 0.506 0.881 0.667 CB 1.537 34 residues pruned to eliminate duplicates Z: 24 22.750 1.973 0.426 0.864 0.957 0.870 CB 1.293 24 residues pruned to eliminate duplicates Z: 23 29.540 1.983 0.773 0.876 0.955 0.591 CB 1.364 23 residues pruned to eliminate duplicates Z: 7 6.859 1.850 0.071 0.877 1.000 1.000 CB 1.026 7 residues pruned to eliminate duplicates Z: 9 6.309 1.920 -0.060 0.591 1.000 0.625 CA 1.133 9 residues pruned to eliminate duplicates Z: 16 18.869 1.977 0.490 0.804 0.933 0.733 CA 1.359 16 residues pruned to eliminate duplicates Z: 37 24.518 1.927 0.731 0.442 0.944 0.444 CB 1.378 41 residues pruned to eliminate duplicates Z: 39 43.475 2.155 0.986 0.578 0.921 0.474 CB 1.660 39 residues pruned to eliminate duplicates Z: 13 13.780 1.887 0.591 0.845 1.000 0.583 CB 0.985 13 residues pruned to eliminate duplicates Z: 19 11.832 1.922 0.485 0.354 0.889 0.500 CA 1.287 6 residues pruned to eliminate duplicates Z: 23 33.724 2.059 0.817 0.876 1.000 0.727 CA 1.397 23 residues pruned to eliminate duplicates Z: 43 22.689 1.860 0.461 0.568 0.905 0.690 CB 1.333 41 residues pruned to eliminate duplicates Z: 90 33.409 1.871 0.529 0.569 0.933 0.506 CB 1.241 69 residues pruned to eliminate duplicates Z: 39 16.981 1.861 0.428 0.416 0.921 0.553 CB 1.229 38 residues pruned to eliminate duplicates Z: 7 5.312 1.800 -0.022 0.596 1.000 0.833 CB 1.123 Z: 41 30.048 2.009 0.785 0.535 0.900 0.700 CB 1.422 41 residues pruned to eliminate duplicates Z: 7 6.798 1.921 0.383 0.276 1.000 0.500 CB 1.346 7 residues pruned to eliminate duplicates Z: 22 27.789 2.067 0.451 0.874 1.000 0.857 CA 1.471 22 residues pruned to eliminate duplicates Z: 8 8.370 1.727 0.653 0.644 1.000 0.571 CB 0.968 Z: 12 22.749 2.100 0.771 0.850 1.000 0.727 CA 1.366 12 residues pruned to eliminate duplicates Z: 47 31.046 2.027 0.644 0.560 0.957 0.696 CB 1.355 46 residues pruned to eliminate duplicates Z: 60 36.707 2.011 0.702 0.593 0.932 0.729 CB 1.370 58 residues pruned to eliminate duplicates Z: 13 19.684 1.949 1.137 0.903 1.000 0.917 CB 0.972 13 residues pruned to eliminate duplicates Z: 29 20.943 1.936 0.822 0.599 0.929 0.714 CB 1.100 13 residues pruned to eliminate duplicates Z: 23 35.383 2.080 0.912 0.852 1.000 0.773 CA 1.403 23 residues pruned to eliminate duplicates Z: 7 11.344 1.837 0.690 0.723 0.833 0.667 CB 1.463 7 residues pruned to eliminate duplicates Z: 23 34.100 2.078 0.741 0.881 0.955 0.773 CA 1.524 23 residues pruned to eliminate duplicates Z: 40 31.328 2.062 0.732 0.549 0.897 0.615 CB 1.492 40 residues pruned to eliminate duplicates Z: 34 32.267 2.063 0.771 0.678 1.000 0.758 CB 1.305 34 residues pruned to eliminate duplicates Z: 42 19.049 1.916 0.556 0.412 0.854 0.585 CB 1.282 42 residues pruned to eliminate duplicates Z: 8 9.999 1.865 0.723 0.472 1.000 0.429 CB 1.211 8 residues pruned to eliminate duplicates Z: 6 4.822 1.600 0.367 0.582 0.800 0.600 N 1.140 Z: 6 6.725 1.793 0.206 0.614 1.000 1.000 CB 1.249 6 residues pruned to eliminate duplicates Z: 36 18.029 1.889 0.591 0.403 0.914 0.600 CB 1.228 36 residues pruned to eliminate duplicates Z: 40 25.754 1.987 0.559 0.494 0.897 0.513 CB 1.492 40 residues pruned to eliminate duplicates Z: 7 14.222 1.861 0.650 0.795 1.000 0.500 CB 1.460 7 residues pruned to eliminate duplicates Z: 18 14.736 1.812 0.521 0.431 1.000 0.588 CB 1.392 17 residues pruned to eliminate duplicates Z: 6 12.577 1.876 0.948 0.803 0.800 0.400 CB 1.476 6 residues pruned to eliminate duplicates Z: 17 9.755 1.717 0.309 0.663 0.875 0.625 CB 1.066 Z: 13 12.985 1.618 0.427 0.844 0.917 0.833 CB 1.318 Z: 11 14.679 1.826 1.143 0.576 1.000 0.700 CA 1.103 11 residues pruned to eliminate duplicates Z: 24 25.027 2.008 0.444 0.891 1.000 0.913 CA 1.294 24 residues pruned to eliminate duplicates Z: 24 36.801 2.040 0.938 0.873 1.000 0.826 CA 1.413 24 residues pruned to eliminate duplicates Z: 9 14.845 2.072 0.588 0.666 1.000 0.875 CA 1.368 9 residues pruned to eliminate duplicates Z: 23 29.798 2.009 0.626 0.882 1.000 0.818 CB 1.407 33 residues pruned to eliminate duplicates Z: 13 10.418 1.823 0.518 0.386 0.917 0.667 CB 1.339 15 residues pruned to eliminate duplicates Z: 23 27.078 1.978 0.546 0.855 1.000 0.773 CA 1.393 23 residues pruned to eliminate duplicates Z: 17 15.256 1.904 0.800 0.357 0.875 0.438 CB 1.484 17 residues pruned to eliminate duplicates Z: 6 4.707 1.303 1.057 0.445 1.000 0.800 CB 0.831 Z: 7 5.174 1.625 0.652 0.446 0.833 0.333 CB 0.998 7 residues pruned to eliminate duplicates Z: 18 12.586 1.797 0.494 0.411 0.882 0.588 CA 1.414 18 residues pruned to eliminate duplicates Z: 41 15.396 1.776 0.450 0.439 0.875 0.550 CB 1.151 41 residues pruned to eliminate duplicates Z: 22 25.186 1.967 0.606 0.876 0.952 0.667 CA 1.328 22 residues pruned to eliminate duplicates Z: 16 20.027 1.735 0.762 0.802 1.000 0.733 CB 1.299 16 residues pruned to eliminate duplicates Z: 7 7.776 1.783 0.363 0.814 1.000 0.667 CB 0.994 7 residues pruned to eliminate duplicates Z: 7 9.798 1.872 0.530 0.618 1.000 1.000 CB 1.250 Z: 22 23.770 1.979 0.557 0.866 0.857 0.667 CA 1.438 22 residues pruned to eliminate duplicates Z: 18 13.264 1.899 0.381 0.394 0.882 0.529 CB 1.555 18 residues pruned to eliminate duplicates Z: 17 11.521 1.940 0.510 0.301 0.938 0.312 CA 1.310 6 residues pruned to eliminate duplicates Z: 30 23.691 2.038 0.759 0.572 0.931 0.448 CB 1.229 33 residues pruned to eliminate duplicates Z: 12 16.855 1.636 0.806 0.811 1.000 0.727 CA 1.312 12 residues pruned to eliminate duplicates Z: 13 18.763 1.820 0.697 0.866 1.000 0.667 CB 1.283 13 residues pruned to eliminate duplicates Z: 13 19.650 1.934 0.466 0.863 1.000 0.833 CB 1.468 13 residues pruned to eliminate duplicates Z: 14 17.086 1.640 0.565 0.834 1.000 0.615 CB 1.384 13 residues pruned to eliminate duplicates Z: 13 21.443 1.953 0.704 0.876 1.000 0.917 CB 1.352 13 residues pruned to eliminate duplicates Z: 40 26.320 2.000 0.641 0.535 0.897 0.692 CB 1.382 40 residues pruned to eliminate duplicates Z: 15 18.624 1.770 0.630 0.824 1.000 0.714 CB 1.303 15 residues pruned to eliminate duplicates Z: 6 7.933 1.838 0.568 0.672 0.800 0.800 N 1.313 6 residues pruned to eliminate duplicates Z: 15 18.876 1.829 0.635 0.864 1.000 0.714 CA 1.237 15 residues pruned to eliminate duplicates Z: 12 19.525 1.916 0.797 0.909 0.909 0.818 CB 1.335 12 residues pruned to eliminate duplicates Z: 13 9.965 1.997 0.460 0.345 0.833 0.667 CA 1.401 13 residues pruned to eliminate duplicates Z: 43 24.399 1.903 0.484 0.588 0.929 0.762 CA 1.320 44 residues pruned to eliminate duplicates Z: 15 20.171 1.742 0.642 0.814 1.000 0.429 CB 1.434 15 residues pruned to eliminate duplicates Z: 24 32.746 2.029 0.718 0.852 1.000 0.739 CA 1.449 24 residues pruned to eliminate duplicates Z: 12 15.675 1.740 0.511 0.887 1.000 0.727 CB 1.296 11 residues pruned to eliminate duplicates Z: 10 7.608 1.491 0.822 0.364 1.000 0.444 CB 1.080 Z: 22 27.958 1.951 0.849 0.872 0.952 0.714 CB 1.294 22 residues pruned to eliminate duplicates Z: 42 39.519 2.126 0.947 0.538 1.000 0.537 CB 1.437 42 residues pruned to eliminate duplicates Z: 8 4.569 1.647 1.235 0.617 1.000 0.714 CB 0.420 Z: 22 9.241 1.710 0.417 0.347 0.810 0.571 CB 1.213 22 residues pruned to eliminate duplicates Z: 6 8.089 1.927 0.642 0.561 0.800 0.800 CB 1.347 6 residues pruned to eliminate duplicates Z: 12 16.830 1.775 0.433 0.862 1.000 0.909 CA 1.464 12 residues pruned to eliminate duplicates Z: 6 6.481 1.534 0.682 0.624 0.800 0.400 CA 1.249 6 residues pruned to eliminate duplicates Z: 37 21.683 1.872 0.844 0.514 0.861 0.556 CB 1.198 34 residues pruned to eliminate duplicates Z: 24 31.287 1.943 0.958 0.858 0.957 0.522 CB 1.319 24 residues pruned to eliminate duplicates Z: 12 23.385 1.792 1.497 0.919 1.000 0.727 CB 1.110 12 residues pruned to eliminate duplicates Z: 19 14.118 1.853 0.732 0.410 0.833 0.556 CB 1.368 19 residues pruned to eliminate duplicates Z: 35 30.035 2.028 0.710 0.578 0.941 0.647 CB 1.464 35 residues pruned to eliminate duplicates Z: 50 26.306 1.931 0.540 0.542 0.878 0.551 CB 1.382 45 residues pruned to eliminate duplicates Z: 18 15.759 2.102 0.505 0.372 0.882 0.588 CB 1.570 18 residues pruned to eliminate duplicates Z: 14 11.952 1.841 0.728 0.468 0.846 0.692 CB 1.272 14 residues pruned to eliminate duplicates Z: 6 10.465 1.805 0.448 0.822 1.000 0.600 CA 1.355 6 residues pruned to eliminate duplicates Z: 6 2.367 1.280 0.218 0.652 1.000 0.400 N 0.589 6 residues pruned to eliminate duplicates Z: 14 18.241 1.834 0.676 0.898 1.000 0.846 CB 1.178 14 residues pruned to eliminate duplicates Z: 12 22.014 1.987 0.962 0.881 0.909 0.818 CA 1.356 12 residues pruned to eliminate duplicates Z: 7 7.446 1.761 0.397 0.844 0.833 0.333 CB 1.103 7 residues pruned to eliminate duplicates Z: 24 35.139 1.992 0.823 0.895 1.000 0.739 CA 1.446 24 residues pruned to eliminate duplicates Z: 9 12.395 1.849 0.831 0.506 0.875 0.750 CA 1.471 9 residues pruned to eliminate duplicates Z: 44 27.855 1.965 0.688 0.543 0.907 0.581 CB 1.354 44 residues pruned to eliminate duplicates Z: 19 6.935 1.654 0.188 0.467 0.833 0.500 CB 1.032 19 residues pruned to eliminate duplicates Z: 24 11.977 1.751 0.612 0.545 0.957 0.739 CB 0.885 24 residues pruned to eliminate duplicates Z: 7 6.551 1.513 0.472 0.723 0.833 0.667 CA 1.178 7 residues pruned to eliminate duplicates Z: 14 15.166 1.726 0.733 0.848 0.923 0.462 CB 1.130 14 residues pruned to eliminate duplicates Z: 47 32.605 1.965 0.738 0.653 0.913 0.565 CA 1.337 73 residues pruned to eliminate duplicates Z: 21 28.884 2.036 0.741 0.872 0.950 0.900 CA 1.398 21 residues pruned to eliminate duplicates Z: 7 8.818 1.720 0.408 0.824 1.000 1.000 CA 1.123 7 residues pruned to eliminate duplicates Z: 29 15.163 1.848 0.621 0.419 0.821 0.464 CB 1.268 29 residues pruned to eliminate duplicates Z: 26 22.315 1.899 0.864 0.676 0.920 0.680 CB 1.165 Z: 44 28.308 1.906 0.643 0.589 0.930 0.767 CA 1.361 44 residues pruned to eliminate duplicates Z: 8 15.124 1.788 0.705 0.890 1.000 1.000 CA 1.349 8 residues pruned to eliminate duplicates Z: 12 13.285 1.841 0.646 0.711 0.818 0.455 CB 1.334 12 residues pruned to eliminate duplicates Z: 48 33.952 2.045 0.874 0.527 0.851 0.553 CB 1.478 48 residues pruned to eliminate duplicates Z: 13 15.293 1.655 0.584 0.775 1.000 0.500 CB 1.321 13 residues pruned to eliminate duplicates Z: 11 3.738 1.581 0.361 0.298 0.700 0.500 CB 0.983 Z: 7 11.190 1.865 0.536 0.697 1.000 0.667 CB 1.332 7 residues pruned to eliminate duplicates Z: 12 15.757 1.671 0.612 0.855 1.000 0.818 CA 1.302 12 residues pruned to eliminate duplicates Z: 41 34.131 2.063 0.753 0.483 0.925 0.550 CA 1.642 41 residues pruned to eliminate duplicates Z: 10 9.447 1.765 0.433 0.648 0.889 0.667 CA 1.219 10 residues pruned to eliminate duplicates Z: 23 35.751 2.067 0.836 0.883 1.000 0.727 CA 1.452 23 residues pruned to eliminate duplicates Z: 12 9.871 1.551 0.797 0.496 0.909 0.273 CA 1.179 12 residues pruned to eliminate duplicates Z: 11 19.719 1.953 0.790 0.921 1.000 0.900 CB 1.255 11 residues pruned to eliminate duplicates Z: 15 14.695 1.834 1.129 0.770 0.857 0.500 CB 0.924 15 residues pruned to eliminate duplicates Z: 6 8.178 1.556 0.514 0.787 1.000 0.800 CB 1.207 8 residues pruned to eliminate duplicates Z: 24 26.218 1.988 0.637 0.893 1.000 0.826 CA 1.206 24 residues pruned to eliminate duplicates Z: 21 26.660 2.010 0.573 0.866 1.000 0.700 CA 1.381 21 residues pruned to eliminate duplicates Z: 10 6.486 1.665 0.161 0.439 1.000 0.444 CB 1.191 Z: 7 5.344 1.534 0.499 0.557 0.833 0.667 N 1.078 Z: 8 4.234 1.899 0.365 0.384 0.857 0.429 CB 0.815 8 residues pruned to eliminate duplicates Z: 37 12.786 1.749 0.289 0.389 0.861 0.583 CB 1.235 39 residues pruned to eliminate duplicates Z: 6 3.759 1.782 0.346 0.878 1.000 1.000 CB 0.509 6 residues pruned to eliminate duplicates Z: 12 13.789 1.656 0.603 0.797 0.909 0.727 CA 1.329 12 residues pruned to eliminate duplicates Z: 19 10.501 1.815 0.557 0.519 0.889 0.722 CB 0.967 19 residues pruned to eliminate duplicates Z: 10 7.734 1.767 0.471 0.448 1.000 0.778 CB 1.046 9 residues pruned to eliminate duplicates Z: 33 29.752 2.042 0.708 0.714 1.000 0.656 CB 1.243 33 residues pruned to eliminate duplicates Z: 13 22.125 1.995 0.974 0.873 1.000 0.833 CB 1.182 13 residues pruned to eliminate duplicates Z: 9 10.428 1.531 0.768 0.855 1.000 0.625 CB 1.005 9 residues pruned to eliminate duplicates Z: 39 18.755 1.828 0.661 0.386 0.868 0.500 CA 1.303 39 residues pruned to eliminate duplicates Z: 13 18.551 1.849 0.797 0.886 1.000 0.750 CA 1.163 13 residues pruned to eliminate duplicates Z: 19 12.455 1.844 0.437 0.392 0.889 0.444 CB 1.398 19 residues pruned to eliminate duplicates Z: 13 14.770 1.698 0.519 0.871 1.000 0.750 CB 1.206 13 residues pruned to eliminate duplicates Z: 31 28.645 2.042 0.646 0.647 0.967 0.633 CA 1.403 33 residues pruned to eliminate duplicates Z: 38 27.314 1.964 0.597 0.621 0.946 0.676 CB 1.350 37 residues pruned to eliminate duplicates Z: 24 23.277 1.919 0.416 0.891 1.000 0.913 CB 1.284 24 residues pruned to eliminate duplicates Z: 31 18.052 1.895 0.336 0.732 1.000 0.733 CA 1.057 31 residues pruned to eliminate duplicates Z: 7 8.961 1.876 0.485 0.693 1.000 0.833 CB 1.100 7 residues pruned to eliminate duplicates Z: 13 7.416 1.674 0.482 0.488 0.833 0.500 CB 1.048 13 residues pruned to eliminate duplicates Z: 46 31.937 2.028 0.934 0.476 0.822 0.467 CB 1.512 47 residues pruned to eliminate duplicates Z: 6 4.330 1.558 0.357 0.573 0.800 0.600 CA 1.067 6 residues pruned to eliminate duplicates Z: 42 18.493 1.872 0.591 0.416 0.854 0.512 CB 1.240 42 residues pruned to eliminate duplicates Z: 22 20.714 1.968 0.320 0.917 0.905 0.810 CA 1.357 22 residues pruned to eliminate duplicates Z: 7 6.382 1.501 0.387 0.887 1.000 1.000 CB 0.902 7 residues pruned to eliminate duplicates Z: 15 5.357 1.748 0.024 0.388 0.857 0.500 CB 1.050 15 residues pruned to eliminate duplicates Z: 10 9.358 1.812 0.246 0.699 1.000 0.667 CB 1.151 10 residues pruned to eliminate duplicates Z: 27 23.207 1.980 0.478 0.688 0.923 0.692 CB 1.419 27 residues pruned to eliminate duplicates Z: 7 9.610 1.738 0.516 0.679 1.000 0.333 CA 1.263 7 residues pruned to eliminate duplicates Z: 40 29.748 1.982 0.706 0.693 0.949 0.667 CB 1.244 40 residues pruned to eliminate duplicates Z: 49 20.800 1.802 0.644 0.570 0.896 0.500 CB 1.057 49 residues pruned to eliminate duplicates Z: 26 15.713 1.874 0.656 0.549 0.920 0.480 CB 1.050 26 residues pruned to eliminate duplicates Z: 44 22.772 1.967 0.516 0.438 0.953 0.581 CB 1.302 44 residues pruned to eliminate duplicates Z: 7 3.126 1.667 0.695 0.243 0.667 0.333 CB 0.911 Z: 37 21.128 1.806 0.720 0.506 0.917 0.444 CB 1.230 42 residues pruned to eliminate duplicates Z: 7 7.325 1.706 0.343 0.600 1.000 0.667 CB 1.187 Z: 23 30.080 2.012 0.764 0.848 0.955 0.864 CA 1.404 23 residues pruned to eliminate duplicates Z: 12 11.429 1.951 -0.005 0.904 1.000 0.909 CB 1.265 12 residues pruned to eliminate duplicates Z: 41 25.656 1.992 0.778 0.518 0.925 0.675 CB 1.216 28 residues pruned to eliminate duplicates Z: 23 24.115 2.015 0.382 0.905 1.000 0.955 CA 1.314 23 residues pruned to eliminate duplicates Z: 22 25.552 2.003 0.556 0.854 1.000 0.714 CA 1.322 22 residues pruned to eliminate duplicates Z: 22 17.061 1.753 0.792 0.560 0.952 0.524 CB 1.175 15 residues pruned to eliminate duplicates Z: 39 40.214 2.056 1.044 0.537 1.000 0.474 CB 1.496 40 residues pruned to eliminate duplicates Z: 14 16.753 1.855 0.611 0.795 0.923 0.538 CB 1.301 14 residues pruned to eliminate duplicates Z: 7 7.374 1.747 0.415 0.824 0.833 0.833 CB 1.104 7 residues pruned to eliminate duplicates Z: 13 12.792 1.800 0.414 0.890 1.000 0.917 CA 1.044 13 residues pruned to eliminate duplicates Z: 12 11.335 1.853 0.724 0.538 0.909 0.545 CB 1.134 12 residues pruned to eliminate duplicates Z: 35 30.766 2.011 0.844 0.516 0.941 0.647 CA 1.488 35 residues pruned to eliminate duplicates Z: 63 31.684 1.985 0.606 0.556 0.935 0.581 CB 1.278 63 residues pruned to eliminate duplicates Z: 37 24.624 1.973 0.632 0.565 0.917 0.694 CB 1.306 37 residues pruned to eliminate duplicates Z: 10 4.137 1.346 0.636 0.210 0.889 0.222 CA 0.992 Z: 39 32.823 2.058 0.683 0.586 0.974 0.711 CB 1.454 39 residues pruned to eliminate duplicates Z: 13 13.282 1.646 0.580 0.839 0.917 0.917 CB 1.201 13 residues pruned to eliminate duplicates Z: 7 7.549 1.721 0.417 0.799 0.833 0.500 CA 1.168 7 residues pruned to eliminate duplicates Z: 11 4.635 1.769 0.638 0.361 0.700 0.400 CB 0.840 Z: 14 24.149 1.951 0.847 0.827 1.000 0.923 CA 1.400 14 residues pruned to eliminate duplicates Z: 29 13.579 1.919 0.412 0.395 0.857 0.643 CB 1.235 29 residues pruned to eliminate duplicates Z: 42 30.973 1.975 0.744 0.675 0.976 0.659 CB 1.225 42 residues pruned to eliminate duplicates Z: 6 6.259 1.705 0.025 0.841 1.000 0.800 CB 1.194 6 residues pruned to eliminate duplicates Z: 15 12.824 1.809 0.595 0.426 1.000 0.429 CB 1.282 15 residues pruned to eliminate duplicates Z: 14 16.527 1.902 0.583 0.852 1.000 0.846 CA 1.127 14 residues pruned to eliminate duplicates Z: 14 17.393 1.842 0.647 0.853 1.000 0.846 CA 1.175 14 residues pruned to eliminate duplicates Z: 11 20.859 2.007 0.796 0.899 0.900 0.700 CB 1.453 11 residues pruned to eliminate duplicates Z: 10 12.483 1.991 0.894 0.902 1.000 0.889 CB 0.787 10 residues pruned to eliminate duplicates Z: 17 10.856 1.912 0.474 0.366 0.938 0.500 CB 1.185 16 residues pruned to eliminate duplicates Z: 23 28.739 2.007 0.637 0.889 1.000 0.773 CB 1.343 23 residues pruned to eliminate duplicates Z: 37 16.409 1.794 0.395 0.408 0.917 0.472 CA 1.313 37 residues pruned to eliminate duplicates Z: 24 27.434 1.902 0.602 0.835 1.000 0.739 CB 1.407 24 residues pruned to eliminate duplicates Z: 44 29.976 1.944 0.710 0.569 0.930 0.651 CB 1.383 44 residues pruned to eliminate duplicates Z: 12 16.779 1.757 0.466 0.837 1.000 0.818 CB 1.468 12 residues pruned to eliminate duplicates Z: 10 9.830 1.742 0.240 0.777 0.889 0.778 CA 1.337 10 residues pruned to eliminate duplicates Z: 11 12.977 1.899 0.478 0.546 1.000 0.600 CB 1.399 11 residues pruned to eliminate duplicates Z: 23 25.470 1.995 0.428 0.866 1.000 0.682 CA 1.396 23 residues pruned to eliminate duplicates Z: 13 15.946 1.983 0.311 0.858 1.000 0.833 CA 1.304 13 residues pruned to eliminate duplicates Z: 15 23.320 1.892 0.835 0.884 1.000 0.786 CA 1.298 15 residues pruned to eliminate duplicates Z: 20 25.571 1.999 0.567 0.917 1.000 0.947 CA 1.322 20 residues pruned to eliminate duplicates Z: 41 22.306 1.975 0.659 0.529 0.875 0.500 CB 1.196 41 residues pruned to eliminate duplicates Z: 12 22.375 2.058 0.973 0.914 1.000 0.909 CB 1.175 12 residues pruned to eliminate duplicates Z: 14 17.444 1.739 0.725 0.859 1.000 0.769 CA 1.187 14 residues pruned to eliminate duplicates Z: 10 8.536 1.667 0.249 0.608 1.000 0.778 CA 1.233 10 residues pruned to eliminate duplicates Z: 18 12.964 1.846 0.406 0.559 0.882 0.765 CB 1.295 18 residues pruned to eliminate duplicates Z: 40 19.500 1.842 0.597 0.428 0.872 0.487 CB 1.313 40 residues pruned to eliminate duplicates Z: 39 37.848 2.127 0.876 0.511 0.974 0.474 CB 1.563 39 residues pruned to eliminate duplicates Z: 14 10.337 1.761 0.322 0.693 0.923 0.769 CB 1.118 14 residues pruned to eliminate duplicates Z: 10 4.993 1.723 0.205 0.524 0.778 0.667 CB 1.006 Z: 10 8.330 1.559 0.353 0.738 1.000 0.778 CA 1.063 10 residues pruned to eliminate duplicates Z: 6 2.710 1.872 0.526 0.439 0.800 0.800 CB 0.565 Z: 16 15.441 2.010 0.806 0.540 0.733 0.400 CB 1.441 16 residues pruned to eliminate duplicates Z: 40 21.676 1.923 0.550 0.465 0.897 0.538 CA 1.344 40 residues pruned to eliminate duplicates Z: 8 13.272 1.733 0.582 0.804 1.000 0.571 CA 1.403 8 residues pruned to eliminate duplicates Z: 33 33.938 2.081 0.693 0.744 0.969 0.750 CA 1.413 33 residues pruned to eliminate duplicates Z: 14 16.471 1.755 0.617 0.868 1.000 0.846 CA 1.177 14 residues pruned to eliminate duplicates Z: 16 7.573 1.584 0.492 0.481 0.800 0.467 CA 1.055 10 residues pruned to eliminate duplicates Z: 23 29.061 1.933 0.784 0.871 0.955 0.591 CB 1.372 23 residues pruned to eliminate duplicates Z: 12 12.713 1.919 0.162 0.902 1.000 0.909 CB 1.225 12 residues pruned to eliminate duplicates Z: 14 18.283 1.937 0.671 0.811 1.000 0.923 CA 1.195 14 residues pruned to eliminate duplicates Z: 9 7.225 1.435 0.326 0.790 1.000 0.875 CB 1.041 9 residues pruned to eliminate duplicates Z: 33 13.305 1.848 0.534 0.351 0.875 0.531 CB 1.114 33 residues pruned to eliminate duplicates Z: 16 10.347 1.813 0.718 0.504 0.867 0.667 CB 0.985 5 residues pruned to eliminate duplicates Z: 6 4.473 1.832 0.192 0.484 0.800 0.400 CB 1.163 6 residues pruned to eliminate duplicates Z: 37 19.676 1.892 0.516 0.436 0.917 0.583 CB 1.333 37 residues pruned to eliminate duplicates Z: 13 9.902 1.897 0.076 0.552 1.000 0.667 CA 1.331 13 residues pruned to eliminate duplicates Z: 25 14.933 1.849 0.505 0.483 0.917 0.667 CB 1.216 25 residues pruned to eliminate duplicates Z: 38 34.738 2.086 0.897 0.521 0.919 0.649 CB 1.537 38 residues pruned to eliminate duplicates Z: 22 32.059 2.058 0.776 0.880 0.952 0.762 CA 1.455 22 residues pruned to eliminate duplicates Z: 6 3.311 1.809 0.116 0.325 0.800 0.800 CB 1.111 Z: 40 38.475 2.135 0.934 0.534 0.974 0.513 CB 1.482 40 residues pruned to eliminate duplicates Z: 8 7.235 1.891 0.685 0.409 0.714 0.429 CA 1.321 8 residues pruned to eliminate duplicates Z: 6 2.643 1.613 -0.103 0.392 1.000 0.600 N 0.915 Z: 23 23.933 1.953 0.673 0.852 0.909 0.455 CB 1.271 23 residues pruned to eliminate duplicates Z: 10 3.537 1.662 0.138 0.296 0.889 0.222 CB 0.881 10 residues pruned to eliminate duplicates Z: 10 4.450 1.598 0.137 0.622 0.667 0.444 CB 1.091 10 residues pruned to eliminate duplicates Z: 37 24.244 1.949 0.521 0.645 0.944 0.694 CB 1.260 37 residues pruned to eliminate duplicates Z: 12 13.761 1.883 0.595 0.864 1.000 0.818 CB 1.013 12 residues pruned to eliminate duplicates Z: 37 25.102 1.967 0.495 0.570 0.972 0.639 CB 1.367 37 residues pruned to eliminate duplicates Z: 21 22.003 1.970 0.772 0.520 1.000 0.700 CB 1.383 28 residues pruned to eliminate duplicates Z: 13 9.749 1.943 0.551 0.364 0.833 0.250 CB 1.297 13 residues pruned to eliminate duplicates Z: 42 37.965 2.112 0.932 0.531 0.951 0.463 CB 1.481 42 residues pruned to eliminate duplicates Z: 37 24.201 1.993 0.604 0.472 0.944 0.639 CB 1.375 37 residues pruned to eliminate duplicates Z: 8 6.108 1.681 0.545 0.770 1.000 0.857 CB 0.700 Z: 35 23.491 1.993 0.634 0.498 0.912 0.618 CB 1.359 35 residues pruned to eliminate duplicates Z: 11 6.652 1.592 0.496 0.523 0.900 0.400 CB 0.959 11 residues pruned to eliminate duplicates Z: 42 30.639 2.006 0.784 0.507 0.878 0.537 CB 1.512 42 residues pruned to eliminate duplicates Z: 9 8.909 1.676 0.513 0.648 0.875 0.625 CA 1.236 Z: 38 29.631 1.962 0.842 0.536 0.865 0.595 CB 1.504 38 residues pruned to eliminate duplicates Z: 13 17.475 1.794 0.765 0.889 1.000 0.667 CB 1.147 13 residues pruned to eliminate duplicates Z: 10 12.050 1.789 1.149 0.405 0.889 0.556 CA 1.298 10 residues pruned to eliminate duplicates Z: 16 9.435 1.670 0.235 0.655 0.867 0.733 CB 1.180 16 residues pruned to eliminate duplicates Z: 42 19.980 1.882 0.555 0.405 0.927 0.561 CB 1.271 38 residues pruned to eliminate duplicates Z: 35 28.503 1.975 0.841 0.467 0.941 0.471 CB 1.477 35 residues pruned to eliminate duplicates Z: 38 24.232 1.921 0.493 0.610 0.919 0.622 CA 1.362 38 residues pruned to eliminate duplicates Z: 25 14.560 1.766 0.577 0.491 0.875 0.667 CB 1.231 25 residues pruned to eliminate duplicates Z: 13 19.052 2.010 0.663 0.766 1.000 0.667 CB 1.300 13 residues pruned to eliminate duplicates Z: 23 29.026 2.067 0.559 0.909 0.955 0.773 CA 1.428 23 residues pruned to eliminate duplicates Z: 7 5.595 1.748 0.429 0.482 0.833 0.500 N 1.117 Z: 12 14.989 1.916 0.469 0.893 1.000 0.818 CA 1.153 12 residues pruned to eliminate duplicates Z: 38 22.941 1.918 0.448 0.599 0.865 0.622 CA 1.429 38 residues pruned to eliminate duplicates Z: 14 11.954 1.887 0.361 0.521 1.000 0.692 CA 1.265 14 residues pruned to eliminate duplicates Z: 24 27.074 1.942 0.639 0.847 0.957 0.870 CB 1.377 24 residues pruned to eliminate duplicates Z: 13 12.798 1.642 0.662 0.767 0.917 0.583 CA 1.166 13 residues pruned to eliminate duplicates Z: 19 15.577 1.989 0.747 0.310 0.833 0.278 CA 1.565 19 residues pruned to eliminate duplicates Z: 38 32.691 2.099 0.777 0.555 0.919 0.676 CB 1.486 38 residues pruned to eliminate duplicates Z: 13 22.258 1.919 0.896 0.803 1.000 0.500 CA 1.355 13 residues pruned to eliminate duplicates Z: 43 26.948 1.911 0.517 0.596 0.952 0.714 CB 1.374 42 residues pruned to eliminate duplicates Z: 24 29.718 2.010 0.577 0.822 1.000 0.696 CB 1.478 24 residues pruned to eliminate duplicates Z: 7 7.776 1.687 0.628 0.712 0.833 0.667 CB 1.144 7 residues pruned to eliminate duplicates Z: 22 22.836 1.998 0.335 0.907 0.952 0.762 CA 1.394 22 residues pruned to eliminate duplicates Z: 40 33.178 2.041 0.848 0.517 0.923 0.615 CB 1.501 40 residues pruned to eliminate duplicates Z: 10 8.206 1.883 0.425 0.504 0.889 0.556 CB 1.142 Z: 11 10.404 1.744 0.303 0.841 0.900 0.700 CB 1.200 11 residues pruned to eliminate duplicates Z: 42 30.979 2.029 0.688 0.507 0.927 0.634 CB 1.514 42 residues pruned to eliminate duplicates Z: 9 4.696 1.546 0.253 0.529 0.875 0.750 N 0.951 Z: 12 13.079 1.891 0.560 0.497 1.000 0.545 CA 1.340 12 residues pruned to eliminate duplicates Z: 14 13.457 1.804 0.394 0.805 1.000 0.923 CA 1.137 14 residues pruned to eliminate duplicates Z: 24 38.337 2.045 0.971 0.878 1.000 0.783 CA 1.439 24 residues pruned to eliminate duplicates Z: 11 17.989 1.892 0.822 0.881 1.000 0.600 CB 1.195 11 residues pruned to eliminate duplicates Z: 21 9.934 1.803 0.492 0.295 0.800 0.650 CB 1.299 21 residues pruned to eliminate duplicates Z: 9 11.764 1.726 0.791 0.807 0.875 0.750 CB 1.177 9 residues pruned to eliminate duplicates Z: 8 12.068 1.791 0.467 0.863 1.000 1.000 CA 1.274 8 residues pruned to eliminate duplicates Z: 31 12.157 1.837 0.669 0.392 0.867 0.533 CB 0.937 25 residues pruned to eliminate duplicates Z: 10 5.494 1.669 0.297 0.542 0.889 0.667 CB 0.913 Z: 12 11.944 1.697 0.665 0.565 0.909 0.727 CA 1.316 11 residues pruned to eliminate duplicates Z: 7 5.361 1.517 0.475 0.686 1.000 0.833 CB 0.825 Z: 24 34.947 2.072 0.759 0.868 1.000 0.696 CB 1.462 24 residues pruned to eliminate duplicates Z: 33 28.154 2.038 0.782 0.472 0.875 0.594 CB 1.611 33 residues pruned to eliminate duplicates Z: 6 4.088 1.490 0.434 0.624 0.800 0.600 CA 0.952 6 residues pruned to eliminate duplicates Z: 51 20.369 1.864 0.695 0.369 0.860 0.440 CB 1.220 85 residues pruned to eliminate duplicates Z: 11 4.730 1.522 0.156 0.368 0.800 0.400 CB 1.224 11 residues pruned to eliminate duplicates Z: 18 15.687 1.975 0.747 0.497 0.824 0.412 CB 1.344 18 residues pruned to eliminate duplicates Z: 11 12.096 1.616 0.689 0.851 0.900 0.800 CB 1.153 11 residues pruned to eliminate duplicates Z: 26 14.734 1.917 0.640 0.385 0.920 0.560 CB 1.151 26 residues pruned to eliminate duplicates Z: 8 13.620 1.838 0.761 0.707 1.000 0.714 CA 1.318 8 residues pruned to eliminate duplicates Z: 17 7.744 1.787 0.472 0.256 0.812 0.375 CA 1.198 17 residues pruned to eliminate duplicates Z: 47 26.921 1.893 0.704 0.570 0.891 0.652 CB 1.291 60 residues pruned to eliminate duplicates Z: 10 6.198 1.674 0.459 0.353 0.889 0.667 CB 1.116 11 residues pruned to eliminate duplicates Z: 15 11.863 1.690 0.627 0.563 0.929 0.500 CA 1.168 15 residues pruned to eliminate duplicates Z: 10 11.343 1.728 0.434 0.738 1.000 1.000 CA 1.232 Z: 10 10.372 1.690 0.498 0.804 0.889 0.667 CB 1.179 10 residues pruned to eliminate duplicates Z: 14 7.933 1.702 0.528 0.397 0.846 0.769 CA 1.115 14 residues pruned to eliminate duplicates Z: 13 20.537 1.955 0.633 0.839 1.000 0.750 CB 1.387 13 residues pruned to eliminate duplicates Z: 7 6.803 1.658 0.256 0.830 0.833 0.833 CB 1.203 Z: 25 17.021 1.876 0.609 0.422 0.875 0.625 CB 1.427 25 residues pruned to eliminate duplicates Z: 17 7.336 1.666 0.479 0.295 0.750 0.500 CA 1.249 17 residues pruned to eliminate duplicates Z: 31 30.721 2.142 0.855 0.521 0.933 0.600 CB 1.481 31 residues pruned to eliminate duplicates Z: 6 4.308 1.796 0.081 0.468 0.800 0.400 N 1.281 Z: 44 28.281 2.015 0.664 0.541 0.930 0.744 CB 1.329 44 residues pruned to eliminate duplicates Z: 35 25.714 1.999 0.529 0.552 0.971 0.559 CB 1.413 35 residues pruned to eliminate duplicates Z: 6 4.456 1.724 0.190 0.588 1.000 0.600 CB 0.893 Z: 31 24.022 1.892 0.647 0.696 0.967 0.700 CB 1.218 31 residues pruned to eliminate duplicates Z: 10 13.562 1.883 0.737 0.757 1.000 0.667 CA 1.099 10 residues pruned to eliminate duplicates Z: 14 18.480 1.818 0.589 0.861 0.923 0.538 CB 1.413 14 residues pruned to eliminate duplicates Z: 12 17.279 1.978 0.433 0.846 1.000 0.909 CA 1.366 12 residues pruned to eliminate duplicates Z: 6 5.830 1.440 0.432 0.593 1.000 1.000 N 1.156 Z: 13 18.087 1.849 0.838 0.871 1.000 0.667 CB 1.120 13 residues pruned to eliminate duplicates Z: 10 8.926 1.619 0.310 0.601 1.000 0.778 CA 1.275 10 residues pruned to eliminate duplicates Z: 6 6.960 1.576 0.450 0.742 1.000 1.000 CA 1.097 6 residues pruned to eliminate duplicates Z: 47 25.460 1.825 0.712 0.520 0.957 0.652 CB 1.231 42 residues pruned to eliminate duplicates Z: 10 11.007 1.748 0.459 0.578 1.000 0.667 CA 1.335 10 residues pruned to eliminate duplicates Z: 6 3.268 1.800 0.208 0.436 0.800 0.400 CB 0.897 Z: 14 18.556 1.905 0.697 0.834 0.923 0.846 CA 1.292 14 residues pruned to eliminate duplicates Z: 12 14.893 1.672 0.587 0.816 1.000 0.727 CA 1.286 12 residues pruned to eliminate duplicates Z: 45 24.692 1.888 0.601 0.537 0.909 0.545 CB 1.307 45 residues pruned to eliminate duplicates Z: 7 8.819 1.583 0.430 0.848 1.000 0.500 CA 1.180 7 residues pruned to eliminate duplicates Z: 6 10.081 1.767 0.470 0.788 1.000 0.400 CA 1.348 6 residues pruned to eliminate duplicates Z: 36 22.067 1.947 0.518 0.448 0.971 0.686 CB 1.370 17 residues pruned to eliminate duplicates Z: 11 8.377 1.705 0.535 0.365 0.900 0.500 CB 1.300 10 residues pruned to eliminate duplicates Z: 8 8.158 1.952 0.415 0.372 1.000 0.429 CB 1.280 10 residues pruned to eliminate duplicates Z: 39 30.841 2.078 1.022 0.417 0.868 0.474 CB 1.495 39 residues pruned to eliminate duplicates Z: 13 19.623 1.956 0.840 0.772 1.000 0.667 CB 1.237 13 residues pruned to eliminate duplicates Z: 35 27.167 1.943 0.806 0.574 0.882 0.618 CB 1.400 35 residues pruned to eliminate duplicates Z: 22 31.011 2.057 0.695 0.879 0.952 0.571 CB 1.477 22 residues pruned to eliminate duplicates Z: 10 4.564 1.621 0.716 0.235 0.667 0.333 CB 1.116 Z: 13 17.100 1.793 0.746 0.892 0.917 0.750 CB 1.236 13 residues pruned to eliminate duplicates Z: 16 9.474 1.882 0.390 0.334 0.867 0.667 CA 1.293 16 residues pruned to eliminate duplicates Z: 6 2.443 1.578 0.088 0.457 0.800 0.600 CB 0.831 Z: 12 16.444 1.777 0.683 0.880 0.909 0.455 CB 1.322 12 residues pruned to eliminate duplicates Z: 24 22.742 1.882 0.530 0.824 0.957 0.783 CA 1.300 24 residues pruned to eliminate duplicates Z: 40 32.884 2.075 0.938 0.525 0.846 0.538 CB 1.510 40 residues pruned to eliminate duplicates Z: 6 5.602 1.559 0.595 0.651 1.000 0.800 CB 0.876 6 residues pruned to eliminate duplicates Z: 9 8.451 1.771 0.368 0.520 0.875 0.750 CA 1.383 Z: 25 17.206 1.832 0.441 0.515 0.917 0.708 CB 1.431 23 residues pruned to eliminate duplicates 7 1.353 1.233 0.071 0.342 0.667 0.667 CB 0.745 ? Z: 6 5.798 1.728 0.727 0.801 1.000 1.000 CB 0.668 Z: 8 6.434 1.734 0.759 0.312 0.857 0.286 CB 1.146 Z: 13 15.823 1.843 0.694 0.823 1.000 0.917 CA 1.106 13 residues pruned to eliminate duplicates 7 1.157 1.111 0.146 0.400 0.833 0.500 CB 0.495 ? Z: 42 31.779 1.981 0.900 0.578 0.902 0.707 CB 1.355 42 residues pruned to eliminate duplicates Z: 23 28.823 1.923 0.706 0.884 1.000 0.818 CA 1.353 23 residues pruned to eliminate duplicates Z: 8 11.894 1.871 0.545 0.582 1.000 0.857 CB 1.438 7 residues pruned to eliminate duplicates Z: 42 35.112 2.001 0.869 0.497 0.951 0.561 CB 1.547 42 residues pruned to eliminate duplicates Z: 10 3.374 1.443 0.157 0.384 0.778 0.556 CB 0.979 Z: 6 2.683 1.503 1.156 0.529 0.800 0.600 CB 0.450 Z: 39 33.113 2.028 0.868 0.503 0.947 0.500 CB 1.492 39 residues pruned to eliminate duplicates Z: 16 11.045 1.748 0.583 0.597 0.800 0.400 CB 1.174 14 residues pruned to eliminate duplicates Z: 37 26.368 1.945 0.598 0.633 0.972 0.611 CB 1.284 37 residues pruned to eliminate duplicates Z: 9 3.195 1.347 0.616 0.200 0.750 0.250 N 0.989 Z: 24 19.084 1.839 0.520 0.706 0.957 0.783 CA 1.234 24 residues pruned to eliminate duplicates Z: 7 5.347 1.827 0.259 0.377 1.000 0.500 CB 1.081 7 residues pruned to eliminate duplicates Z: 29 22.126 1.943 0.647 0.495 0.929 0.536 CB 1.414 29 residues pruned to eliminate duplicates Z: 38 25.142 1.952 0.563 0.610 0.892 0.703 CB 1.368 38 residues pruned to eliminate duplicates Z: 43 21.203 1.964 0.543 0.467 0.952 0.571 CB 1.172 43 residues pruned to eliminate duplicates Z: 12 12.974 1.614 0.568 0.756 1.000 0.727 CA 1.230 12 residues pruned to eliminate duplicates Z: 12 11.278 1.540 0.600 0.874 0.909 0.636 CB 1.106 12 residues pruned to eliminate duplicates Z: 32 20.367 2.005 0.606 0.501 0.839 0.581 CB 1.353 32 residues pruned to eliminate duplicates Z: 8 11.377 1.843 0.802 0.517 0.857 0.857 CB 1.485 8 residues pruned to eliminate duplicates Z: 44 24.397 1.899 0.638 0.533 0.884 0.674 CA 1.310 44 residues pruned to eliminate duplicates Z: 6 2.533 1.870 0.335 0.688 1.000 0.800 CB 0.382 Z: 37 25.008 1.918 0.588 0.611 0.944 0.639 CB 1.304 37 residues pruned to eliminate duplicates Z: 15 12.922 1.810 0.739 0.455 0.857 0.571 CB 1.340 15 residues pruned to eliminate duplicates Z: 8 9.142 1.511 0.803 0.748 0.857 0.429 O 1.185 8 residues pruned to eliminate duplicates Z: 37 25.343 2.017 0.697 0.529 0.944 0.556 CB 1.269 37 residues pruned to eliminate duplicates Z: 24 25.475 2.003 0.432 0.853 1.000 0.739 CA 1.369 24 residues pruned to eliminate duplicates Z: 13 10.922 1.812 0.865 0.396 0.750 0.500 CB 1.389 13 residues pruned to eliminate duplicates Z: 13 19.987 1.894 0.768 0.913 0.917 0.750 CB 1.330 13 residues pruned to eliminate duplicates Z: 27 11.941 1.705 0.352 0.378 0.846 0.462 CB 1.367 27 residues pruned to eliminate duplicates Z: 11 17.215 1.927 0.627 0.898 1.000 0.900 CB 1.242 11 residues pruned to eliminate duplicates Z: 6 9.868 1.737 0.519 0.850 1.000 0.800 CA 1.239 6 residues pruned to eliminate duplicates Z: 16 11.054 1.761 0.542 0.471 0.867 0.533 CB 1.249 16 residues pruned to eliminate duplicates Z: 36 24.102 1.844 0.627 0.670 0.971 0.629 CB 1.194 36 residues pruned to eliminate duplicates Z: 6 3.405 1.477 -0.056 0.486 1.000 0.600 O 1.108 6 residues pruned to eliminate duplicates Z: 15 16.167 1.731 0.747 0.823 0.929 0.714 CB 1.163 15 residues pruned to eliminate duplicates Z: 23 18.367 1.777 0.799 0.481 0.909 0.682 CA 1.374 23 residues pruned to eliminate duplicates Z: 6 4.834 1.491 0.428 0.594 1.000 0.400 CB 0.927 Z: 8 4.261 1.572 0.425 0.422 0.857 0.857 CB 0.910 7 residues pruned to eliminate duplicates Z: 53 25.910 1.831 0.439 0.656 0.942 0.654 CA 1.253 53 residues pruned to eliminate duplicates Z: 10 17.822 2.042 0.766 0.855 1.000 0.778 CB 1.216 13 residues pruned to eliminate duplicates Z: 9 7.564 1.795 0.317 0.462 1.000 0.750 CB 1.176 Z: 32 13.422 1.791 0.492 0.463 0.839 0.645 CB 1.117 29 residues pruned to eliminate duplicates Z: 8 6.661 1.477 0.439 0.823 0.857 0.714 CA 1.045 Z: 41 30.381 1.989 0.788 0.479 0.925 0.550 CB 1.492 41 residues pruned to eliminate duplicates Z: 20 9.695 1.703 0.593 0.387 0.842 0.579 CB 1.098 20 residues pruned to eliminate duplicates Z: 20 13.059 1.968 0.731 0.351 0.789 0.316 CB 1.309 20 residues pruned to eliminate duplicates Z: 11 20.187 1.987 0.827 0.913 1.000 0.800 CB 1.245 11 residues pruned to eliminate duplicates Z: 42 33.151 1.955 0.873 0.482 0.951 0.610 CA 1.513 42 residues pruned to eliminate duplicates Z: 8 5.054 1.735 0.537 0.305 0.857 0.429 CB 1.038 8 residues pruned to eliminate duplicates Z: 6 4.970 1.368 0.974 0.866 1.000 0.600 CB 0.603 Z: 23 30.235 2.061 0.569 0.878 1.000 0.773 CB 1.447 23 residues pruned to eliminate duplicates Z: 20 19.433 1.834 0.499 0.692 1.000 0.684 CA 1.360 20 residues pruned to eliminate duplicates Z: 42 32.301 1.992 0.815 0.469 0.951 0.512 CB 1.513 42 residues pruned to eliminate duplicates Z: 23 25.525 1.958 0.608 0.834 0.955 0.591 CA 1.357 23 residues pruned to eliminate duplicates Z: 40 17.664 1.788 0.655 0.494 0.821 0.513 CB 1.172 40 residues pruned to eliminate duplicates Z: 36 21.140 1.819 0.772 0.398 0.914 0.600 CB 1.351 36 residues pruned to eliminate duplicates Z: 46 27.003 1.890 0.460 0.611 0.933 0.578 CA 1.407 46 residues pruned to eliminate duplicates Z: 24 20.280 1.874 0.407 0.860 0.913 0.826 CB 1.292 24 residues pruned to eliminate duplicates Z: 13 15.522 1.662 0.571 0.798 1.000 0.583 CB 1.322 13 residues pruned to eliminate duplicates Z: 23 23.292 1.957 0.759 0.628 0.909 0.500 CA 1.406 23 residues pruned to eliminate duplicates Z: 20 18.593 2.000 0.803 0.398 0.842 0.579 CA 1.563 20 residues pruned to eliminate duplicates Z: 8 4.974 1.492 0.456 0.503 1.000 0.571 CB 0.862 Z: 14 11.958 1.458 0.480 0.823 1.000 0.692 N 1.161 13 residues pruned to eliminate duplicates Z: 6 2.590 1.751 -0.226 0.577 0.600 0.400 CB 1.323 Z: 31 17.513 1.859 0.341 0.624 0.933 0.700 CA 1.223 31 residues pruned to eliminate duplicates Z: 15 3.431 1.476 0.234 0.273 0.786 0.429 CB 0.829 Z: 19 10.017 1.662 0.453 0.355 0.944 0.556 CB 1.212 18 residues pruned to eliminate duplicates Z: 45 31.548 1.983 0.824 0.571 0.932 0.636 CB 1.318 45 residues pruned to eliminate duplicates Z: 9 6.992 1.726 0.511 0.580 0.875 0.625 CB 1.003 9 residues pruned to eliminate duplicates Z: 15 9.558 1.567 0.728 0.491 0.786 0.500 CB 1.211 9 residues pruned to eliminate duplicates Z: 8 7.987 1.801 0.476 0.531 1.000 0.714 CB 1.101 Z: 17 10.816 1.745 0.678 0.395 0.812 0.375 CA 1.270 25 residues pruned to eliminate duplicates Z: 10 13.884 1.905 0.815 0.913 0.889 0.778 CB 1.066 10 residues pruned to eliminate duplicates Z: 79 35.571 1.919 0.640 0.592 0.910 0.667 CB 1.287 88 residues pruned to eliminate duplicates Z: 89 35.767 1.879 0.538 0.601 0.909 0.580 CB 1.318 105 residues pruned to eliminate duplicates Z: 24 28.077 2.051 0.548 0.862 0.957 0.826 CA 1.415 24 residues pruned to eliminate duplicates Z: 11 10.661 1.683 0.251 0.880 1.000 0.800 CB 1.161 12 residues pruned to eliminate duplicates Z: 44 36.556 2.032 0.904 0.536 0.953 0.419 CB 1.460 44 residues pruned to eliminate duplicates Z: 13 11.757 1.811 0.537 0.675 1.000 0.500 CB 1.038 13 residues pruned to eliminate duplicates Z: 21 17.774 2.063 0.737 0.387 0.850 0.400 CB 1.470 21 residues pruned to eliminate duplicates Z: 21 14.246 1.862 0.756 0.403 0.850 0.500 CA 1.270 21 residues pruned to eliminate duplicates Z: 13 15.902 1.844 0.474 0.875 1.000 0.833 CB 1.228 13 residues pruned to eliminate duplicates Z: 13 10.931 1.782 0.624 0.445 1.000 0.417 CB 1.153 21 residues pruned to eliminate duplicates Z: 19 24.354 1.986 1.153 0.574 0.833 0.611 CA 1.500 19 residues pruned to eliminate duplicates Z: 11 7.447 1.694 0.570 0.461 0.800 0.500 CB 1.152 8 residues pruned to eliminate duplicates Z: 8 3.346 1.568 0.252 0.598 0.857 0.857 CB 0.684 Z: 23 13.976 1.908 0.500 0.350 0.864 0.636 CB 1.419 23 residues pruned to eliminate duplicates Z: 24 29.749 1.928 0.786 0.869 1.000 0.826 CB 1.316 24 residues pruned to eliminate duplicates Z: 6 6.166 1.417 1.126 0.549 0.800 0.600 N 1.090 Z: 6 2.283 1.515 0.074 0.494 0.600 0.600 N 1.052 Z: 20 13.307 1.817 0.488 0.635 0.895 0.526 CB 1.112 20 residues pruned to eliminate duplicates Z: 10 3.821 1.389 0.420 0.490 0.889 0.333 CB 0.734 Z: 18 9.123 1.754 0.541 0.335 0.824 0.471 CB 1.191 18 residues pruned to eliminate duplicates Z: 77 35.953 1.922 0.536 0.608 0.947 0.645 CB 1.331 77 residues pruned to eliminate duplicates Z: 7 6.400 1.785 0.150 0.663 1.000 0.667 CB 1.094 7 residues pruned to eliminate duplicates Z: 13 24.029 2.010 0.764 0.908 1.000 0.917 CA 1.390 13 residues pruned to eliminate duplicates Z: 7 6.583 1.718 0.405 0.435 1.000 0.667 CA 1.191 Z: 23 22.978 1.957 0.474 0.907 0.955 0.864 CA 1.265 23 residues pruned to eliminate duplicates Z: 30 12.485 1.816 0.420 0.366 0.862 0.483 CB 1.203 31 residues pruned to eliminate duplicates Z: 12 19.906 1.942 0.795 0.909 0.909 0.727 CB 1.344 12 residues pruned to eliminate duplicates Z: 8 5.596 1.348 1.070 0.579 0.857 0.571 CB 0.819 Z: 8 5.091 1.867 0.598 0.320 0.857 0.571 CB 0.917 14 residues pruned to eliminate duplicates Z: 7 3.824 1.694 0.258 0.463 0.833 0.333 CB 0.913 Z: 24 34.763 2.021 0.965 0.851 1.000 0.652 CA 1.351 24 residues pruned to eliminate duplicates Z: 32 16.899 1.844 0.613 0.351 0.903 0.516 CA 1.327 32 residues pruned to eliminate duplicates Z: 13 13.460 1.756 0.705 0.739 0.833 0.583 CB 1.257 13 residues pruned to eliminate duplicates Z: 6 2.498 1.388 0.195 0.454 1.000 0.800 N 0.706 Z: 14 14.285 1.611 0.604 0.814 1.000 0.769 CA 1.167 14 residues pruned to eliminate duplicates Z: 45 34.407 2.063 0.927 0.515 0.977 0.591 CB 1.316 45 residues pruned to eliminate duplicates Z: 31 24.592 1.955 0.689 0.592 0.967 0.633 CB 1.287 31 residues pruned to eliminate duplicates Z: 37 26.564 1.956 0.626 0.554 0.944 0.667 CB 1.398 37 residues pruned to eliminate duplicates Z: 9 5.879 1.559 0.378 0.744 0.875 0.500 CB 0.889 8 residues pruned to eliminate duplicates Z: 12 17.963 1.748 0.723 0.844 1.000 0.727 CA 1.338 12 residues pruned to eliminate duplicates Z: 7 7.138 1.338 0.540 0.782 1.000 0.833 CA 1.103 9 residues pruned to eliminate duplicates Z: 16 11.107 1.748 0.319 0.499 0.933 0.467 CB 1.333 16 residues pruned to eliminate duplicates Z: 18 13.206 1.782 0.558 0.463 0.941 0.471 CB 1.273 18 residues pruned to eliminate duplicates Z: 46 20.611 1.845 0.497 0.586 0.889 0.622 CB 1.153 46 residues pruned to eliminate duplicates Z: 8 9.992 1.684 0.668 0.869 1.000 0.857 CB 0.981 8 residues pruned to eliminate duplicates Z: 81 51.502 2.072 0.953 0.502 0.925 0.525 CB 1.535 82 residues pruned to eliminate duplicates Z: 29 25.641 1.952 0.542 0.704 0.929 0.750 CA 1.440 29 residues pruned to eliminate duplicates Z: 24 30.207 2.051 0.729 0.855 0.913 0.739 CA 1.435 24 residues pruned to eliminate duplicates Z: 14 16.662 1.838 0.480 0.838 0.923 0.769 CB 1.375 14 residues pruned to eliminate duplicates Z: 24 27.252 1.957 0.598 0.822 1.000 0.565 CB 1.374 24 residues pruned to eliminate duplicates Z: 24 25.221 2.055 0.575 0.815 0.957 0.826 CA 1.292 24 residues pruned to eliminate duplicates Z: 39 27.445 2.032 0.580 0.592 0.921 0.632 CB 1.379 39 residues pruned to eliminate duplicates Z: 7 7.505 1.875 0.616 0.662 0.667 0.667 CB 1.305 7 residues pruned to eliminate duplicates Z: 35 26.823 1.956 0.912 0.470 0.882 0.529 CB 1.438 34 residues pruned to eliminate duplicates Z: 37 17.161 1.860 0.613 0.444 0.833 0.417 CB 1.213 37 residues pruned to eliminate duplicates Z: 77 37.012 1.935 0.545 0.651 0.908 0.671 CB 1.360 77 residues pruned to eliminate duplicates Z: 10 8.249 1.551 0.913 0.518 0.889 0.667 CB 1.024 Z: 6 6.499 1.736 0.463 0.658 0.800 0.800 CA 1.236 6 residues pruned to eliminate duplicates Z: 11 6.260 1.780 0.423 0.437 0.800 0.500 CA 1.043 11 residues pruned to eliminate duplicates Z: 20 16.399 1.703 0.727 0.659 0.947 0.526 CB 1.165 20 residues pruned to eliminate duplicates 8 1.893 1.408 0.126 0.679 0.857 0.429 CB 0.446 ? Z: 37 26.793 1.954 0.698 0.615 0.944 0.750 CB 1.278 37 residues pruned to eliminate duplicates Z: 39 22.996 1.886 0.830 0.405 0.816 0.605 CB 1.465 38 residues pruned to eliminate duplicates Z: 7 7.097 1.845 0.374 0.655 0.833 0.667 CB 1.187 7 residues pruned to eliminate duplicates Z: 12 6.925 1.783 0.714 0.617 0.909 0.636 CB 0.673 Z: 11 5.732 1.799 0.303 0.320 0.900 0.600 CB 1.048 Z: 7 2.008 1.501 0.158 0.507 0.833 0.667 CB 0.562 7 residues pruned to eliminate duplicates Z: 6 5.500 1.721 0.112 0.857 1.000 0.600 CB 0.947 6 residues pruned to eliminate duplicates Z: 8 8.438 1.568 0.650 0.748 1.000 0.857 CB 0.988 8 residues pruned to eliminate duplicates Z: 12 8.803 1.631 0.783 0.465 0.909 0.455 CA 1.041 5 residues pruned to eliminate duplicates Z: 11 16.254 1.751 0.666 0.841 1.000 0.800 CA 1.314 11 residues pruned to eliminate duplicates Z: 13 8.572 1.555 0.148 0.821 1.000 0.667 CB 1.050 13 residues pruned to eliminate duplicates Z: 39 20.301 1.906 0.560 0.510 0.816 0.421 CB 1.345 39 residues pruned to eliminate duplicates Z: 10 12.201 1.791 0.606 0.666 1.000 0.556 CA 1.212 10 residues pruned to eliminate duplicates Z: 7 3.707 1.599 -0.165 0.524 0.833 0.667 CB 1.329 Z: 12 11.042 1.690 0.384 0.884 1.000 0.909 CA 1.028 12 residues pruned to eliminate duplicates Z: 7 4.868 1.796 0.516 0.229 0.833 0.500 N 1.201 7 residues pruned to eliminate duplicates Z: 8 3.184 1.418 0.467 0.261 0.857 0.571 CA 0.887 Z: 7 6.670 1.805 0.152 0.860 1.000 0.833 CB 0.963 7 residues pruned to eliminate duplicates Z: 7 12.934 1.842 0.600 0.697 1.000 0.833 CB 1.497 Z: 7 3.209 1.487 0.340 0.566 0.833 0.500 CB 0.740 Z: 12 12.657 1.811 0.840 0.774 0.727 0.636 CB 1.236 12 residues pruned to eliminate duplicates Z: 6 4.840 1.667 0.610 0.618 0.800 0.600 CA 0.901 Z: 25 23.440 1.987 0.922 0.572 0.833 0.583 CB 1.402 25 residues pruned to eliminate duplicates Z: 12 14.494 1.972 0.392 0.874 0.909 0.818 CB 1.274 12 residues pruned to eliminate duplicates Z: 6 3.536 1.601 0.062 0.351 1.000 0.400 O 1.094 Z: 23 17.399 1.886 0.614 0.536 0.955 0.682 CA 1.233 23 residues pruned to eliminate duplicates Z: 48 26.611 1.908 0.518 0.580 0.894 0.617 CA 1.389 48 residues pruned to eliminate duplicates Z: 9 3.339 1.522 0.432 0.465 0.875 0.625 CB 0.642 Z: 9 3.806 1.576 0.351 0.387 0.750 0.500 CA 0.951 Z: 7 3.007 1.382 0.516 0.451 0.833 0.500 CB 0.740 Z: 42 36.232 2.088 0.959 0.490 0.902 0.488 CB 1.548 42 residues pruned to eliminate duplicates Z: 6 5.154 1.599 0.844 0.786 1.000 1.000 CB 0.608 6 residues pruned to eliminate duplicates Z: 18 16.078 1.833 0.437 0.632 0.941 0.647 CA 1.390 18 residues pruned to eliminate duplicates Z: 11 12.682 1.586 0.569 0.892 1.000 0.900 CA 1.158 9 residues pruned to eliminate duplicates Z: 8 13.335 1.912 0.282 0.847 1.000 0.714 CA 1.526 8 residues pruned to eliminate duplicates Z: 11 6.960 1.539 0.617 0.344 0.800 0.600 N 1.309 Z: 9 5.122 1.644 0.521 0.493 0.875 0.500 CB 0.834 Z: 14 19.254 1.785 0.673 0.849 1.000 0.692 CB 1.326 14 residues pruned to eliminate duplicates Z: 12 15.109 1.964 0.755 0.618 1.000 0.636 CB 1.182 12 residues pruned to eliminate duplicates Z: 21 14.280 1.781 0.412 0.619 0.900 0.650 CA 1.261 21 residues pruned to eliminate duplicates Z: 9 6.668 1.736 0.445 0.484 0.750 0.375 CB 1.274 9 residues pruned to eliminate duplicates Z: 15 29.255 1.963 1.277 0.870 1.000 0.500 CA 1.277 15 residues pruned to eliminate duplicates Z: 33 14.062 1.783 0.578 0.428 0.875 0.531 CB 1.088 33 residues pruned to eliminate duplicates Z: 47 19.026 1.879 0.584 0.425 0.891 0.543 CB 1.143 99 residues pruned to eliminate duplicates Z: 6 8.384 1.831 0.249 0.743 1.000 0.600 CA 1.319 6 residues pruned to eliminate duplicates Z: 6 3.270 1.441 0.139 0.481 0.800 0.600 CB 1.135 6 residues pruned to eliminate duplicates Z: 13 10.356 1.487 0.200 0.890 1.000 1.000 N 1.205 12 residues pruned to eliminate duplicates Z: 23 21.529 2.102 0.668 0.376 1.000 0.364 CB 1.494 23 residues pruned to eliminate duplicates Z: 12 14.128 1.783 0.254 0.890 1.000 1.000 CA 1.370 12 residues pruned to eliminate duplicates Z: 18 35.155 2.116 0.978 0.871 1.000 0.647 CA 1.485 18 residues pruned to eliminate duplicates Z: 15 12.332 1.880 0.557 0.483 0.857 0.643 CB 1.336 15 residues pruned to eliminate duplicates Z: 7 3.071 1.390 0.804 0.398 0.667 0.500 N 0.835 Z: 11 10.271 1.569 0.425 0.841 0.900 0.700 CA 1.204 11 residues pruned to eliminate duplicates Z: 42 24.531 1.910 0.697 0.551 0.902 0.634 CB 1.247 42 residues pruned to eliminate duplicates Z: 7 6.588 1.791 0.376 0.519 1.000 0.667 CA 1.071 7 residues pruned to eliminate duplicates Z: 47 29.643 1.957 0.717 0.468 0.913 0.500 CB 1.472 47 residues pruned to eliminate duplicates Z: 42 26.662 1.945 0.638 0.544 0.902 0.585 CB 1.387 42 residues pruned to eliminate duplicates Z: 22 14.018 1.684 0.647 0.533 0.857 0.571 CB 1.246 26 residues pruned to eliminate duplicates Z: 17 11.584 1.774 0.472 0.576 0.812 0.625 CB 1.269 17 residues pruned to eliminate duplicates Z: 40 36.477 2.054 0.861 0.537 0.923 0.590 CA 1.596 40 residues pruned to eliminate duplicates Z: 13 9.007 1.832 0.409 0.602 0.917 0.583 CB 0.998 13 residues pruned to eliminate duplicates Z: 12 19.613 1.748 0.762 0.846 1.000 0.727 CB 1.426 13 residues pruned to eliminate duplicates Z: 43 25.998 1.944 0.648 0.618 0.881 0.714 CB 1.272 43 residues pruned to eliminate duplicates Z: 11 4.900 1.494 0.638 0.411 0.700 0.300 CB 0.993 Z: 12 13.929 1.895 0.684 0.439 1.000 0.545 CA 1.402 12 residues pruned to eliminate duplicates Z: 36 31.993 2.097 0.975 0.499 0.886 0.457 CB 1.475 36 residues pruned to eliminate duplicates Z: 43 30.800 1.969 0.742 0.619 0.976 0.643 CB 1.268 43 residues pruned to eliminate duplicates Z: 11 2.843 1.324 0.052 0.275 0.800 0.500 CB 1.041 Z: 8 3.938 1.254 0.490 0.352 1.000 0.857 N 0.934 Z: 6 11.354 1.768 0.735 0.855 1.000 0.800 CB 1.222 6 residues pruned to eliminate duplicates Z: 9 4.025 1.544 0.792 0.333 0.625 0.250 N 0.988 6 -0.269 1.463 0.775 0.691 0.800 0.800 CB-0.049 ? Z: 6 6.438 1.562 0.761 0.590 1.000 0.800 CB 0.960 8 residues pruned to eliminate duplicates 6 1.686 1.743 -0.374 0.414 1.000 0.600 CB 0.756 ? Z: 11 9.756 1.868 0.525 0.729 0.800 0.600 CB 1.102 11 residues pruned to eliminate duplicates Z: 9 11.802 1.767 0.456 0.724 1.000 0.625 CB 1.325 9 residues pruned to eliminate duplicates Z: 26 27.810 2.053 0.626 0.779 0.920 0.800 CB 1.416 26 residues pruned to eliminate duplicates Z: 18 9.870 1.800 0.406 0.474 0.824 0.588 CB 1.180 18 residues pruned to eliminate duplicates Z: 77 36.831 1.926 0.534 0.626 0.961 0.605 CB 1.322 77 residues pruned to eliminate duplicates Z: 46 30.280 2.047 0.812 0.410 0.867 0.422 CB 1.543 46 residues pruned to eliminate duplicates Z: 43 37.183 2.095 1.019 0.490 0.952 0.429 CB 1.439 42 residues pruned to eliminate duplicates Z: 37 23.010 1.917 0.708 0.454 0.917 0.583 CB 1.340 39 residues pruned to eliminate duplicates Z: 11 6.562 1.582 0.173 0.458 1.000 0.400 N 1.166 Z: 41 29.180 1.964 0.585 0.554 0.950 0.725 CA 1.481 41 residues pruned to eliminate duplicates Z: 22 37.701 2.098 0.907 0.857 1.000 0.714 CA 1.516 22 residues pruned to eliminate duplicates Z: 15 15.402 1.928 0.501 0.634 0.929 0.786 CA 1.351 15 residues pruned to eliminate duplicates Z: 9 4.404 1.520 0.656 0.282 1.000 0.375 CB 0.792 Z: 42 34.026 2.049 0.910 0.502 0.902 0.512 CB 1.501 42 residues pruned to eliminate duplicates Z: 16 8.497 1.756 0.531 0.282 0.867 0.600 CB 1.204 16 residues pruned to eliminate duplicates Z: 41 28.361 1.985 0.602 0.506 0.925 0.650 CA 1.515 41 residues pruned to eliminate duplicates Z: 12 11.280 1.536 0.371 0.862 1.000 0.818 CA 1.186 11 residues pruned to eliminate duplicates Z: 33 25.586 2.016 0.497 0.730 0.938 0.844 CA 1.299 33 residues pruned to eliminate duplicates Z: 10 10.757 1.743 1.044 0.570 0.778 0.778 CB 1.210 Z: 33 29.828 1.903 0.598 0.776 1.000 0.875 CB 1.358 33 residues pruned to eliminate duplicates Z: 10 11.744 1.718 0.662 0.831 1.000 0.889 CA 1.030 10 residues pruned to eliminate duplicates Z: 39 14.009 1.695 0.339 0.378 0.921 0.605 CB 1.239 39 residues pruned to eliminate duplicates Z: 9 3.453 1.577 -0.093 0.526 0.875 0.500 CB 0.950 Z: 6 4.201 1.345 0.153 0.726 1.000 0.800 CB 0.988 Z: 6 5.402 1.681 -0.073 0.652 1.000 0.800 CA 1.347 5 residues pruned to eliminate duplicates Z: 7 10.267 1.908 1.100 0.670 0.667 0.500 CA 1.341 7 residues pruned to eliminate duplicates Z: 46 26.416 1.907 0.616 0.669 0.889 0.622 CB 1.230 46 residues pruned to eliminate duplicates Z: 8 4.402 1.935 -0.229 0.509 1.000 0.571 CB 1.105 8 residues pruned to eliminate duplicates Z: 45 26.797 1.936 0.428 0.703 0.932 0.705 CB 1.304 45 residues pruned to eliminate duplicates Z: 6 3.253 1.502 0.496 0.431 1.000 0.600 CB 0.695 Z: 15 20.517 1.625 1.020 0.838 0.929 0.714 CB 1.345 15 residues pruned to eliminate duplicates Z: 11 8.970 1.675 0.722 0.367 0.900 0.500 CB 1.260 11 residues pruned to eliminate duplicates 6 1.898 1.231 0.428 0.323 0.800 0.200 N 0.734 ? Z: 7 5.842 1.847 0.427 0.438 0.833 0.667 CB 1.158 7 residues pruned to eliminate duplicates Z: 13 17.673 1.859 0.775 0.915 0.917 0.667 CB 1.192 13 residues pruned to eliminate duplicates Z: 22 16.432 1.862 0.778 0.516 0.952 0.524 CB 1.120 22 residues pruned to eliminate duplicates Z: 11 6.041 1.475 0.464 0.429 0.800 0.600 CA 1.191 Z: 18 13.686 1.796 0.505 0.665 1.000 0.588 CB 1.054 18 residues pruned to eliminate duplicates Z: 7 3.957 1.455 0.907 0.249 0.833 0.500 CB 0.933 Z: 7 4.411 1.614 0.760 0.725 1.000 0.833 CB 0.518 Z: 7 9.714 1.859 0.796 0.604 0.833 0.500 CA 1.291 7 residues pruned to eliminate duplicates Z: 22 28.965 2.034 0.525 0.888 1.000 0.857 CA 1.468 22 residues pruned to eliminate duplicates Z: 40 31.388 1.971 0.648 0.623 0.949 0.667 CA 1.452 40 residues pruned to eliminate duplicates Z: 7 3.012 1.627 0.088 0.595 1.000 0.667 CB 0.634 Z: 7 5.256 1.561 0.365 0.485 1.000 0.667 CA 1.023 6 residues pruned to eliminate duplicates Z: 19 18.053 1.961 0.708 0.492 0.833 0.389 CB 1.536 19 residues pruned to eliminate duplicates Z: 40 27.771 2.020 0.606 0.578 0.923 0.692 CB 1.378 40 residues pruned to eliminate duplicates Z: 25 7.458 1.719 0.317 0.305 0.792 0.333 CB 1.055 25 residues pruned to eliminate duplicates 7 1.852 1.352 0.467 0.290 0.667 0.333 N 0.724 ? Z: 11 6.574 1.488 0.411 0.608 0.900 0.900 CA 0.993 Z: 13 14.223 1.823 0.782 0.700 0.833 0.583 CA 1.263 13 residues pruned to eliminate duplicates Z: 12 9.212 1.717 0.447 0.527 0.818 0.545 CB 1.330 12 residues pruned to eliminate duplicates 6 1.078 1.404 1.008 0.300 0.800 0.400 CB 0.267 ? Z: 6 5.433 1.522 0.684 0.385 0.800 0.400 CB 1.339 Z: 8 2.580 1.516 0.618 0.244 0.571 0.429 CB 0.935 Z: 6 10.924 1.843 0.397 0.812 1.000 0.600 CB 1.445 6 residues pruned to eliminate duplicates Z: 7 3.214 1.678 0.229 0.322 0.667 0.500 O 1.161 Z: 36 27.257 1.877 0.579 0.718 0.943 0.714 CB 1.354 36 residues pruned to eliminate duplicates Z: 7 3.325 1.616 0.639 0.196 0.667 0.333 CB 1.105 Z: 23 23.252 1.930 0.617 0.795 0.955 0.636 CB 1.285 23 residues pruned to eliminate duplicates Z: 41 24.822 1.981 0.774 0.407 0.900 0.350 CB 1.368 41 residues pruned to eliminate duplicates Z: 9 2.733 1.237 0.322 0.256 0.750 0.250 N 1.042 Z: 14 8.196 1.651 0.712 0.410 0.923 0.462 CB 0.957 Z: 6 2.418 0.962 0.723 0.602 1.000 0.800 O 0.592 Z: 12 12.562 1.834 0.540 0.446 1.000 0.545 CB 1.416 12 residues pruned to eliminate duplicates Z: 6 11.825 1.930 1.091 0.652 0.800 0.400 CA 1.421 6 residues pruned to eliminate duplicates Z: 10 3.980 1.469 0.670 0.252 0.667 0.222 CB 1.079 Z: 38 18.431 1.822 0.556 0.434 0.892 0.568 CB 1.283 38 residues pruned to eliminate duplicates Z: 6 5.288 1.568 0.843 0.601 0.600 0.400 CB 1.239 Z: 23 34.391 2.132 0.887 0.694 0.955 0.773 CA 1.599 23 residues pruned to eliminate duplicates Z: 24 21.150 1.917 0.630 0.609 0.913 0.739 CA 1.394 24 residues pruned to eliminate duplicates Z: 20 15.161 2.019 0.445 0.446 0.842 0.632 CB 1.497 20 residues pruned to eliminate duplicates Z: 14 7.588 1.707 0.501 0.377 0.692 0.385 CA 1.352 8 residues pruned to eliminate duplicates Z: 13 15.598 1.796 0.574 0.902 1.000 0.917 CB 1.136 13 residues pruned to eliminate duplicates Z: 11 4.693 1.466 0.328 0.354 0.700 0.400 CB 1.276 Z: 44 27.168 1.940 0.539 0.656 0.930 0.698 CB 1.290 44 residues pruned to eliminate duplicates Z: 6 2.877 1.172 1.060 0.341 0.800 0.600 CA 0.792 Z: 19 14.599 1.921 0.392 0.437 1.000 0.556 CB 1.373 20 residues pruned to eliminate duplicates Z: 9 8.274 1.545 0.468 0.818 1.000 0.875 N 0.979 9 residues pruned to eliminate duplicates Z: 11 15.059 2.001 0.899 0.903 1.000 0.900 CB 0.893 11 residues pruned to eliminate duplicates Z: 38 22.650 1.910 0.452 0.540 0.946 0.676 CA 1.364 38 residues pruned to eliminate duplicates Z: 9 6.783 1.765 0.245 0.685 0.875 0.750 CB 1.052 9 residues pruned to eliminate duplicates Z: 36 19.707 1.851 0.618 0.502 0.829 0.600 CB 1.340 36 residues pruned to eliminate duplicates Z: 11 23.102 1.999 1.100 0.921 1.000 0.800 CB 1.224 11 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 6 5.308 1.755 0.391 0.466 1.000 1.000 CB 1.006 6 residues pruned to eliminate duplicates Z: 7 13.180 1.981 0.884 0.679 0.833 0.667 CB 1.468 7 residues pruned to eliminate duplicates Z: 8 10.084 1.843 0.637 0.583 0.857 0.857 CB 1.361 8 residues pruned to eliminate duplicates Z: 9 4.999 1.536 0.818 0.464 0.750 0.375 CB 0.876 9 residues pruned to eliminate duplicates Z: 9 6.460 1.627 0.908 0.300 0.875 0.500 CB 1.051 8 residues pruned to eliminate duplicates Z: 6 8.563 1.794 0.978 0.363 1.000 0.400 N 1.251 6 residues pruned to eliminate duplicates Z: 6 2.790 1.493 0.581 0.465 0.800 0.800 CA 0.685 6 residues pruned to eliminate duplicates Z: 41 23.816 1.978 0.735 0.492 0.875 0.500 CB 1.264 41 residues pruned to eliminate duplicates Z: 37 22.718 1.987 0.685 0.531 0.917 0.639 CB 1.196 37 residues pruned to eliminate duplicates Z: 43 22.918 1.936 0.619 0.504 0.952 0.571 CB 1.180 52 residues pruned to eliminate duplicates Z: 40 22.887 1.981 0.596 0.486 0.923 0.487 CB 1.274 40 residues pruned to eliminate duplicates Z: 30 19.301 1.864 0.787 0.564 0.931 0.586 CB 1.086 30 residues pruned to eliminate duplicates Z: 27 19.919 1.993 0.739 0.594 0.885 0.538 CB 1.165 27 residues pruned to eliminate duplicates Z: 40 23.613 2.013 0.669 0.505 0.897 0.564 CB 1.248 40 residues pruned to eliminate duplicates Z: 41 22.552 1.963 0.656 0.529 0.875 0.500 CB 1.218 41 residues pruned to eliminate duplicates Z: 39 22.567 1.989 0.659 0.498 0.895 0.500 CB 1.243 39 residues pruned to eliminate duplicates Z: 46 20.752 1.939 0.624 0.463 0.889 0.533 CB 1.148 43 residues pruned to eliminate duplicates Z: 11 15.720 2.114 0.999 0.898 0.900 0.600 CB 0.935 11 residues pruned to eliminate duplicates Z: 40 23.471 1.995 0.739 0.501 0.897 0.564 CB 1.206 40 residues pruned to eliminate duplicates Z: 40 23.638 1.950 0.731 0.519 0.923 0.513 CB 1.193 40 residues pruned to eliminate duplicates Z: 33 18.611 1.876 0.840 0.509 0.875 0.562 CB 1.079 33 residues pruned to eliminate duplicates Z: 28 19.130 1.956 0.748 0.579 0.926 0.593 CB 1.078 28 residues pruned to eliminate duplicates Z: 38 26.542 2.012 0.833 0.524 0.919 0.622 CB 1.258 38 residues pruned to eliminate duplicates Z: 41 26.312 1.987 0.825 0.513 0.925 0.600 CB 1.224 39 residues pruned to eliminate duplicates Z: 27 21.091 1.871 0.422 0.790 0.962 0.808 CA 1.254 27 residues pruned to eliminate duplicates Z: 15 15.182 1.885 0.519 0.655 1.000 0.786 CA 1.227 15 residues pruned to eliminate duplicates Z: 25 25.169 1.993 0.497 0.834 1.000 0.917 CA 1.290 25 residues pruned to eliminate duplicates Z: 29 22.016 1.968 0.348 0.774 0.964 0.821 CA 1.276 29 residues pruned to eliminate duplicates Z: 14 14.193 1.962 0.450 0.690 1.000 0.692 CA 1.163 14 residues pruned to eliminate duplicates Z: 14 16.654 1.938 0.662 0.709 1.000 0.846 CA 1.187 14 residues pruned to eliminate duplicates Z: 14 17.676 1.986 0.442 0.831 1.000 0.692 CA 1.286 14 residues pruned to eliminate duplicates Z: 37 25.906 1.927 0.519 0.666 0.972 0.722 CB 1.301 37 residues pruned to eliminate duplicates Z: 32 24.017 1.974 0.448 0.691 1.000 0.710 CA 1.267 32 residues pruned to eliminate duplicates Z: 25 19.064 1.951 0.371 0.819 0.958 0.875 CA 1.151 25 residues pruned to eliminate duplicates Z: 24 25.118 2.012 0.529 0.829 1.000 0.826 CA 1.280 24 residues pruned to eliminate duplicates Z: 32 23.869 1.945 0.467 0.725 0.968 0.806 CA 1.268 32 residues pruned to eliminate duplicates Z: 37 23.608 1.889 0.568 0.653 0.944 0.667 CA 1.219 37 residues pruned to eliminate duplicates Z: 32 28.267 1.995 0.544 0.770 1.000 0.871 CA 1.297 32 residues pruned to eliminate duplicates Z: 31 29.169 2.006 0.595 0.758 1.000 0.800 CA 1.323 31 residues pruned to eliminate duplicates Z: 26 24.970 1.965 0.606 0.787 0.960 0.760 CA 1.280 26 residues pruned to eliminate duplicates Z: 23 25.918 1.997 0.492 0.871 1.000 0.727 CA 1.352 23 residues pruned to eliminate duplicates Z: 36 25.435 1.916 0.556 0.677 0.971 0.714 CB 1.261 36 residues pruned to eliminate duplicates Z: 25 28.183 2.004 0.594 0.830 0.958 0.667 CA 1.413 25 residues pruned to eliminate duplicates Z: 34 23.286 1.922 0.450 0.757 0.939 0.758 CA 1.232 34 residues pruned to eliminate duplicates Z: 35 27.044 1.956 0.647 0.711 1.000 0.618 CA 1.189 35 residues pruned to eliminate duplicates Z: 39 27.186 1.904 0.558 0.713 1.000 0.763 CB 1.226 39 residues pruned to eliminate duplicates Z: 34 25.483 1.905 0.641 0.699 0.970 0.697 CA 1.221 34 residues pruned to eliminate duplicates Z: 33 26.222 1.995 0.495 0.709 0.969 0.625 CA 1.327 33 residues pruned to eliminate duplicates Z: 35 26.543 1.964 0.602 0.708 0.941 0.647 CB 1.272 35 residues pruned to eliminate duplicates Z: 6 9.089 1.983 0.376 0.642 1.000 1.000 CB 1.305 6 residues pruned to eliminate duplicates Z: 33 27.735 1.937 0.648 0.671 0.969 0.719 CB 1.354 33 residues pruned to eliminate duplicates Z: 37 24.884 1.914 0.553 0.679 1.000 0.583 CB 1.183 37 residues pruned to eliminate duplicates Z: 36 25.988 1.938 0.577 0.696 0.943 0.600 CB 1.274 36 residues pruned to eliminate duplicates Z: 36 30.489 1.961 0.717 0.689 0.971 0.629 CA 1.326 36 residues pruned to eliminate duplicates Z: 12 10.226 1.796 0.879 0.507 1.000 0.636 CB 0.907 9 residues pruned to eliminate duplicates Z: 6 7.539 1.516 0.692 0.676 1.000 0.800 CA 1.118 7 residues pruned to eliminate duplicates Z: 6 6.432 1.557 0.531 0.469 1.000 0.600 N 1.246 6 residues pruned to eliminate duplicates Z: 77 33.434 1.933 0.528 0.635 0.921 0.658 CB 1.241 82 residues pruned to eliminate duplicates Z: 14 16.547 1.920 0.308 0.763 1.000 0.769 CA 1.447 14 residues pruned to eliminate duplicates Z: 45 20.165 1.851 0.671 0.433 0.818 0.636 CB 1.288 45 residues pruned to eliminate duplicates Z: 44 21.916 1.827 0.502 0.503 0.953 0.651 CB 1.274 39 residues pruned to eliminate duplicates Z: 16 18.380 1.666 0.568 0.855 1.000 0.867 CA 1.341 16 residues pruned to eliminate duplicates Z: 38 22.171 1.911 0.560 0.595 0.919 0.757 CB 1.215 38 residues pruned to eliminate duplicates Z: 41 21.338 1.862 0.397 0.554 0.975 0.675 CB 1.261 41 residues pruned to eliminate duplicates Z: 37 24.028 1.953 0.523 0.613 0.944 0.806 CB 1.281 42 residues pruned to eliminate duplicates Z: 15 17.564 1.659 0.648 0.886 1.000 0.857 CA 1.239 15 residues pruned to eliminate duplicates Z: 42 22.994 1.894 0.542 0.555 0.927 0.707 CB 1.257 42 residues pruned to eliminate duplicates Z: 13 18.453 1.810 0.633 0.883 1.000 0.917 CB 1.303 13 residues pruned to eliminate duplicates Z: 41 23.552 1.917 0.612 0.579 0.925 0.700 CB 1.208 41 residues pruned to eliminate duplicates Z: 53 26.846 1.910 0.559 0.557 0.942 0.692 CB 1.255 53 residues pruned to eliminate duplicates Z: 38 27.838 1.938 0.667 0.598 0.973 0.676 CB 1.326 37 residues pruned to eliminate duplicates Z: 15 13.138 1.706 0.670 0.598 0.929 0.714 CA 1.209 15 residues pruned to eliminate duplicates Z: 54 24.757 1.885 0.674 0.534 0.925 0.604 CB 1.128 54 residues pruned to eliminate duplicates Z: 6 2.334 1.193 0.993 0.420 1.000 0.800 CA 0.477 6 residues pruned to eliminate duplicates Z: 39 24.095 1.902 0.642 0.579 0.895 0.605 CB 1.296 39 residues pruned to eliminate duplicates Z: 40 27.793 1.895 0.753 0.600 0.974 0.718 CB 1.250 41 residues pruned to eliminate duplicates Z: 15 10.234 1.697 0.332 0.641 0.929 0.643 CB 1.143 20 residues pruned to eliminate duplicates Z: 16 10.128 1.655 0.436 0.612 0.933 0.400 CB 1.060 16 residues pruned to eliminate duplicates Z: 37 23.237 1.913 0.726 0.456 0.944 0.667 CB 1.298 36 residues pruned to eliminate duplicates Z: 14 14.126 1.759 0.706 0.612 1.000 0.615 CB 1.174 14 residues pruned to eliminate duplicates Z: 38 21.120 1.899 0.615 0.439 0.919 0.568 CB 1.312 38 residues pruned to eliminate duplicates Z: 38 19.808 1.864 0.624 0.432 0.892 0.541 CB 1.295 38 residues pruned to eliminate duplicates Z: 37 24.017 1.927 0.688 0.458 0.944 0.583 CB 1.361 37 residues pruned to eliminate duplicates Z: 38 20.309 1.848 0.571 0.456 0.919 0.514 CB 1.309 38 residues pruned to eliminate duplicates Z: 37 19.810 1.928 0.553 0.430 0.889 0.583 CB 1.333 37 residues pruned to eliminate duplicates Z: 39 21.375 1.906 0.606 0.458 0.868 0.605 CB 1.361 39 residues pruned to eliminate duplicates Z: 37 20.571 1.941 0.501 0.468 0.917 0.556 CB 1.326 37 residues pruned to eliminate duplicates Z: 41 20.398 1.912 0.522 0.424 0.900 0.600 CB 1.332 41 residues pruned to eliminate duplicates Z: 37 21.564 1.922 0.610 0.460 0.889 0.611 CB 1.361 37 residues pruned to eliminate duplicates Z: 48 23.948 1.863 0.672 0.411 0.894 0.511 CB 1.377 86 residues pruned to eliminate duplicates Z: 37 24.529 1.924 0.673 0.476 0.944 0.556 CB 1.378 Z: 7 4.243 1.241 0.577 0.504 0.833 0.667 C 1.057 7 residues pruned to eliminate duplicates Z: 37 24.495 1.941 0.592 0.487 0.972 0.528 CA 1.376 37 residues pruned to eliminate duplicates Z: 7 5.081 1.606 0.739 0.416 0.833 0.667 N 0.973 7 residues pruned to eliminate duplicates Z: 39 19.947 1.854 0.548 0.475 0.895 0.553 CB 1.292 39 residues pruned to eliminate duplicates Z: 41 21.312 1.901 0.631 0.381 0.925 0.375 CB 1.334 41 residues pruned to eliminate duplicates Z: 46 25.352 1.886 0.574 0.473 0.956 0.578 CB 1.370 83 residues pruned to eliminate duplicates Z: 37 21.858 1.914 0.606 0.425 0.972 0.500 CB 1.318 Z: 11 15.756 1.695 0.903 0.670 1.000 0.800 CA 1.321 11 residues pruned to eliminate duplicates Z: 38 19.574 1.899 0.576 0.441 0.865 0.568 CB 1.322 38 residues pruned to eliminate duplicates Z: 8 11.596 1.743 0.690 0.859 0.857 0.143 CA 1.277 8 residues pruned to eliminate duplicates Z: 42 21.773 1.899 0.676 0.383 0.878 0.634 CB 1.378 43 residues pruned to eliminate duplicates Z: 8 14.244 1.807 0.659 0.871 1.000 0.714 CA 1.310 8 residues pruned to eliminate duplicates Z: 45 21.891 1.826 0.683 0.429 0.909 0.614 CB 1.271 39 residues pruned to eliminate duplicates Z: 7 11.837 1.910 0.403 0.789 1.000 0.500 CA 1.399 7 residues pruned to eliminate duplicates Z: 38 24.715 1.903 0.685 0.458 0.946 0.622 CB 1.399 47 residues pruned to eliminate duplicates Z: 9 12.019 1.883 0.522 0.618 1.000 0.625 CA 1.326 9 residues pruned to eliminate duplicates Z: 41 20.540 1.888 0.598 0.392 0.900 0.600 CB 1.340 41 residues pruned to eliminate duplicates Z: 41 21.466 1.904 0.578 0.431 0.900 0.475 CB 1.348 41 residues pruned to eliminate duplicates Z: 41 21.547 1.928 0.615 0.440 0.900 0.525 CB 1.294 41 residues pruned to eliminate duplicates Z: 7 5.500 1.860 0.566 0.327 0.833 0.500 CB 1.119 Z: 7 5.914 1.417 0.503 0.589 0.833 0.500 CB 1.251 7 residues pruned to eliminate duplicates Z: 11 9.492 1.891 0.287 0.429 1.000 0.300 CB 1.327 11 residues pruned to eliminate duplicates Z: 18 7.384 1.754 0.393 0.349 0.824 0.412 CB 1.048 18 residues pruned to eliminate duplicates Z: 12 8.274 1.848 0.328 0.354 0.909 0.455 CB 1.310 12 residues pruned to eliminate duplicates Z: 12 11.255 1.942 0.560 0.362 0.909 0.545 CB 1.430 12 residues pruned to eliminate duplicates Z: 6 3.036 1.657 0.199 0.220 0.800 0.200 CB 1.187 6 residues pruned to eliminate duplicates Z: 17 10.290 1.831 0.503 0.362 0.875 0.500 CB 1.240 17 residues pruned to eliminate duplicates Z: 14 7.616 1.735 0.408 0.349 0.846 0.462 CB 1.203 14 residues pruned to eliminate duplicates Z: 17 13.255 1.791 0.587 0.670 0.875 0.562 CB 1.138 17 residues pruned to eliminate duplicates Z: 15 13.809 1.774 0.673 0.705 0.857 0.643 CB 1.204 15 residues pruned to eliminate duplicates Z: 15 11.850 1.750 0.544 0.624 0.857 0.429 CB 1.217 15 residues pruned to eliminate duplicates Z: 15 12.311 1.727 0.349 0.697 0.929 0.786 CB 1.271 15 residues pruned to eliminate duplicates Z: 14 13.785 1.762 0.542 0.672 0.846 0.769 CB 1.419 14 residues pruned to eliminate duplicates Z: 16 12.989 1.791 0.445 0.686 1.000 0.733 CB 1.093 16 residues pruned to eliminate duplicates Z: 14 12.650 1.756 0.448 0.741 0.846 0.846 CB 1.314 14 residues pruned to eliminate duplicates Z: 18 12.941 1.727 0.562 0.605 1.000 0.529 CB 1.053 18 residues pruned to eliminate duplicates Z: 16 14.738 1.786 0.678 0.693 1.000 0.733 CB 1.065 16 residues pruned to eliminate duplicates Z: 17 13.931 1.718 0.630 0.681 1.000 0.562 CB 1.053 17 residues pruned to eliminate duplicates Z: 17 15.748 1.774 0.665 0.662 1.000 0.812 CB 1.147 17 residues pruned to eliminate duplicates Z: 71 28.513 1.911 0.610 0.506 0.886 0.571 CB 1.242 71 residues pruned to eliminate duplicates Z: 43 21.472 1.936 0.662 0.505 0.810 0.524 CB 1.266 43 residues pruned to eliminate duplicates Z: 52 23.002 1.970 0.657 0.426 0.843 0.314 CB 1.264 47 residues pruned to eliminate duplicates Z: 6 4.444 1.870 0.805 0.300 0.800 0.400 CB 0.920 6 residues pruned to eliminate duplicates Z: 37 14.932 1.883 0.509 0.376 0.833 0.556 CB 1.200 37 residues pruned to eliminate duplicates Z: 29 17.308 1.932 0.543 0.530 0.857 0.464 CB 1.243 29 residues pruned to eliminate duplicates Z: 51 23.627 1.937 0.523 0.556 0.880 0.520 CB 1.219 51 residues pruned to eliminate duplicates Z: 55 25.504 1.937 0.550 0.556 0.870 0.593 CB 1.258 55 residues pruned to eliminate duplicates Z: 46 23.247 1.904 0.590 0.542 0.889 0.467 CB 1.236 46 residues pruned to eliminate duplicates Z: 78 33.067 1.953 0.482 0.582 0.909 0.545 CB 1.323 78 residues pruned to eliminate duplicates Z: 69 35.472 1.974 0.690 0.593 0.926 0.559 CB 1.273 69 residues pruned to eliminate duplicates Z: 44 20.785 1.902 0.627 0.555 0.837 0.395 CB 1.159 44 residues pruned to eliminate duplicates Z: 41 23.458 1.929 0.606 0.566 0.875 0.425 CB 1.284 41 residues pruned to eliminate duplicates Z: 51 24.303 1.919 0.690 0.544 0.900 0.460 CB 1.129 51 residues pruned to eliminate duplicates Z: 17 15.149 1.996 0.776 0.658 0.875 0.625 CB 1.054 17 residues pruned to eliminate duplicates Z: 48 26.327 1.923 0.669 0.536 0.915 0.574 CB 1.262 48 residues pruned to eliminate duplicates Z: 42 19.940 1.894 0.711 0.429 0.829 0.537 CB 1.247 42 residues pruned to eliminate duplicates Z: 39 24.031 1.964 0.586 0.619 0.921 0.553 CB 1.215 39 residues pruned to eliminate duplicates Z: 44 20.833 1.854 0.565 0.489 0.860 0.535 CB 1.287 44 residues pruned to eliminate duplicates Z: 23 17.651 1.978 0.660 0.607 0.909 0.682 CB 1.139 23 residues pruned to eliminate duplicates Z: 33 20.301 2.009 0.652 0.537 0.844 0.562 CB 1.235 33 residues pruned to eliminate duplicates Z: 29 19.217 1.988 0.546 0.580 0.893 0.643 CB 1.225 29 residues pruned to eliminate duplicates Z: 42 18.805 1.931 0.497 0.453 0.829 0.512 CB 1.286 42 residues pruned to eliminate duplicates Z: 31 16.361 1.970 0.537 0.533 0.867 0.533 CB 1.102 31 residues pruned to eliminate duplicates Z: 15 8.392 1.914 0.287 0.346 0.857 0.214 CB 1.256 15 residues pruned to eliminate duplicates Z: 23 17.165 1.907 0.689 0.600 0.818 0.364 CB 1.263 23 residues pruned to eliminate duplicates Z: 29 23.638 2.004 0.916 0.603 0.964 0.536 CB 1.094 29 residues pruned to eliminate duplicates Z: 34 19.712 1.958 0.605 0.428 0.909 0.485 CB 1.294 34 residues pruned to eliminate duplicates Z: 37 24.780 1.910 0.595 0.601 0.917 0.556 CB 1.343 37 residues pruned to eliminate duplicates Z: 53 34.166 1.969 0.739 0.637 0.923 0.654 CB 1.318 53 residues pruned to eliminate duplicates Z: 69 34.221 1.968 0.712 0.558 0.897 0.544 CB 1.298 69 residues pruned to eliminate duplicates Z: 47 22.249 1.891 0.654 0.554 0.870 0.522 CB 1.145 47 residues pruned to eliminate duplicates Z: 15 13.053 1.805 0.533 0.705 0.857 0.643 CB 1.220 15 residues pruned to eliminate duplicates Z: 19 14.216 1.789 0.607 0.640 0.833 0.444 CA 1.227 19 residues pruned to eliminate duplicates Z: 20 15.204 1.784 0.584 0.640 0.947 0.526 CB 1.143 20 residues pruned to eliminate duplicates Z: 22 14.497 1.840 0.505 0.536 0.952 0.619 CB 1.158 22 residues pruned to eliminate duplicates Z: 19 13.292 1.732 0.579 0.554 0.944 0.667 CB 1.151 19 residues pruned to eliminate duplicates Z: 17 11.471 1.840 0.469 0.620 1.000 0.625 CB 0.947 17 residues pruned to eliminate duplicates Z: 56 27.710 1.925 0.518 0.664 0.945 0.636 CB 1.162 56 residues pruned to eliminate duplicates Z: 100 41.762 1.961 0.561 0.633 0.939 0.677 CB 1.288 100 residues pruned to eliminate duplicates Z: 51 27.764 1.898 0.566 0.624 0.940 0.620 CB 1.251 51 residues pruned to eliminate duplicates Z: 44 19.386 1.770 0.535 0.531 0.884 0.581 CB 1.194 44 residues pruned to eliminate duplicates Z: 47 25.230 1.905 0.508 0.643 0.957 0.717 CB 1.184 47 residues pruned to eliminate duplicates Z: 22 13.262 1.809 0.477 0.548 0.952 0.619 CB 1.085 22 residues pruned to eliminate duplicates Z: 23 20.072 1.952 0.568 0.591 0.909 0.727 CA 1.409 23 residues pruned to eliminate duplicates Z: 20 21.121 2.041 0.518 0.653 1.000 0.789 CB 1.356 20 residues pruned to eliminate duplicates Z: 40 26.517 1.969 0.576 0.574 0.923 0.667 CB 1.381 40 residues pruned to eliminate duplicates Z: 85 40.791 1.981 0.608 0.617 0.940 0.643 CB 1.331 85 residues pruned to eliminate duplicates Z: 19 21.659 1.912 0.740 0.645 0.889 0.611 CB 1.507 19 residues pruned to eliminate duplicates Z: 25 17.910 1.855 0.565 0.517 0.958 0.542 CA 1.293 25 residues pruned to eliminate duplicates Z: 49 26.391 1.833 0.651 0.529 0.938 0.542 CB 1.305 49 residues pruned to eliminate duplicates Z: 34 24.133 1.977 0.473 0.630 0.879 0.727 CA 1.452 34 residues pruned to eliminate duplicates Z: 23 20.921 1.953 0.660 0.564 0.955 0.682 CB 1.356 23 residues pruned to eliminate duplicates Z: 41 29.647 1.996 0.686 0.632 0.975 0.625 CB 1.262 41 residues pruned to eliminate duplicates Z: 51 26.316 1.908 0.594 0.622 0.940 0.620 CB 1.160 51 residues pruned to eliminate duplicates Z: 33 29.482 1.953 0.573 0.675 0.938 0.688 CB 1.540 33 residues pruned to eliminate duplicates Z: 46 27.075 1.931 0.652 0.502 0.911 0.533 CB 1.386 46 residues pruned to eliminate duplicates Z: 31 31.630 2.042 0.749 0.650 0.967 0.733 CB 1.454 31 residues pruned to eliminate duplicates Z: 27 31.327 2.036 0.740 0.773 0.962 0.731 CB 1.417 27 residues pruned to eliminate duplicates Z: 54 27.506 1.879 0.635 0.607 0.906 0.604 CB 1.227 54 residues pruned to eliminate duplicates Z: 37 26.938 1.953 0.565 0.630 0.972 0.667 CB 1.337 37 residues pruned to eliminate duplicates Z: 45 24.256 1.895 0.560 0.570 0.977 0.591 CB 1.183 45 residues pruned to eliminate duplicates Z: 38 28.045 1.939 0.639 0.681 0.946 0.459 CB 1.298 38 residues pruned to eliminate duplicates Z: 32 26.317 1.970 0.747 0.663 0.903 0.581 CB 1.307 32 residues pruned to eliminate duplicates Z: 51 33.185 1.933 0.700 0.657 0.960 0.700 CB 1.286 51 residues pruned to eliminate duplicates Z: 42 30.740 1.982 0.727 0.634 0.902 0.585 CB 1.370 42 residues pruned to eliminate duplicates Z: 28 32.267 2.041 0.791 0.733 0.963 0.704 CB 1.431 28 residues pruned to eliminate duplicates Z: 84 45.092 2.014 0.776 0.608 0.940 0.602 CB 1.329 84 residues pruned to eliminate duplicates Z: 41 30.121 2.023 0.758 0.655 0.925 0.625 CB 1.253 41 residues pruned to eliminate duplicates Z: 68 46.570 2.049 0.770 0.617 0.985 0.701 CA 1.426 68 residues pruned to eliminate duplicates Z: 51 28.680 1.900 0.750 0.610 0.900 0.680 CB 1.221 51 residues pruned to eliminate duplicates Z: 38 30.173 2.017 0.802 0.618 0.946 0.811 CB 1.291 38 residues pruned to eliminate duplicates Z: 38 35.442 2.052 0.710 0.707 1.000 0.784 CB 1.375 38 residues pruned to eliminate duplicates Z: 72 42.307 2.012 0.786 0.578 0.944 0.634 CB 1.373 72 residues pruned to eliminate duplicates Z: 100 46.136 2.008 0.692 0.638 0.919 0.667 CB 1.305 100 residues pruned to eliminate duplicates Z: 58 33.584 1.939 0.752 0.611 0.912 0.614 CB 1.292 58 residues pruned to eliminate duplicates Z: 80 48.024 2.051 0.762 0.636 0.962 0.633 CB 1.369 80 residues pruned to eliminate duplicates Z: 83 48.698 2.038 0.801 0.604 0.963 0.610 CB 1.377 83 residues pruned to eliminate duplicates Z: 85 41.768 2.025 0.674 0.588 0.940 0.643 CB 1.314 85 residues pruned to eliminate duplicates Z: 84 47.101 2.030 0.739 0.623 0.964 0.663 CB 1.354 84 residues pruned to eliminate duplicates Z: 8 5.897 1.878 0.103 0.570 1.000 0.429 CB 1.007 8 residues pruned to eliminate duplicates Z: 91 43.498 1.985 0.681 0.576 0.956 0.611 CB 1.336 91 residues pruned to eliminate duplicates Z: 81 48.438 2.035 0.766 0.622 0.963 0.650 CB 1.396 81 residues pruned to eliminate duplicates Z: 49 32.508 2.018 0.720 0.576 0.958 0.667 CB 1.312 49 residues pruned to eliminate duplicates Z: 101 44.710 1.979 0.728 0.600 0.930 0.570 CB 1.279 101 residues pruned to eliminate duplicates Z: 58 30.587 1.981 0.701 0.548 0.947 0.596 CB 1.211 58 residues pruned to eliminate duplicates Z: 85 46.119 2.024 0.749 0.602 0.976 0.643 CB 1.321 85 residues pruned to eliminate duplicates Z: 93 43.807 1.989 0.773 0.594 0.924 0.598 CB 1.282 93 residues pruned to eliminate duplicates Z: 40 33.031 2.055 0.718 0.627 0.923 0.744 CB 1.440 40 residues pruned to eliminate duplicates Z: 40 31.777 2.038 0.784 0.596 0.897 0.615 CB 1.423 40 residues pruned to eliminate duplicates Z: 53 31.274 2.021 0.631 0.577 0.923 0.673 CB 1.323 53 residues pruned to eliminate duplicates Z: 48 31.994 1.972 0.724 0.598 0.936 0.702 CB 1.335 48 residues pruned to eliminate duplicates Z: 42 33.555 2.005 0.767 0.600 0.927 0.659 CA 1.451 42 residues pruned to eliminate duplicates Z: 47 30.798 2.013 0.657 0.577 0.935 0.652 CB 1.353 47 residues pruned to eliminate duplicates Z: 41 33.571 2.054 0.816 0.599 0.900 0.675 CB 1.439 41 residues pruned to eliminate duplicates Z: 46 29.606 2.015 0.694 0.577 0.889 0.778 CB 1.350 46 residues pruned to eliminate duplicates Z: 83 43.763 2.030 0.735 0.600 0.939 0.683 CB 1.328 83 residues pruned to eliminate duplicates Z: 39 33.236 2.072 0.844 0.599 0.895 0.658 CB 1.434 39 residues pruned to eliminate duplicates Z: 40 33.966 2.066 0.801 0.595 0.949 0.692 CB 1.408 40 residues pruned to eliminate duplicates Z: 85 43.426 1.998 0.678 0.617 0.940 0.690 CB 1.346 85 residues pruned to eliminate duplicates Z: 37 33.805 2.090 0.747 0.555 0.944 0.611 CA 1.549 37 residues pruned to eliminate duplicates Z: 46 31.976 2.044 0.657 0.572 0.956 0.600 CB 1.373 46 residues pruned to eliminate duplicates Z: 40 33.746 2.071 0.730 0.604 0.949 0.667 CA 1.439 40 residues pruned to eliminate duplicates Z: 47 30.818 2.030 0.700 0.514 0.935 0.587 CB 1.389 47 residues pruned to eliminate duplicates Z: 40 29.308 1.993 0.677 0.530 0.974 0.564 CB 1.399 40 residues pruned to eliminate duplicates Z: 48 30.785 2.022 0.717 0.546 0.915 0.681 CB 1.351 48 residues pruned to eliminate duplicates Z: 37 34.509 2.072 0.852 0.546 0.944 0.611 CA 1.518 37 residues pruned to eliminate duplicates Z: 56 29.227 1.986 0.628 0.529 0.927 0.509 CB 1.278 56 residues pruned to eliminate duplicates Z: 83 40.628 1.977 0.688 0.551 0.915 0.573 CB 1.398 83 residues pruned to eliminate duplicates Z: 51 29.923 1.990 0.582 0.512 0.940 0.620 CB 1.413 51 residues pruned to eliminate duplicates Z: 33 31.993 2.076 0.715 0.589 1.000 0.625 CA 1.458 33 residues pruned to eliminate duplicates Z: 40 31.323 2.065 0.681 0.569 0.923 0.590 CB 1.465 40 residues pruned to eliminate duplicates Z: 41 35.863 2.062 0.801 0.576 0.950 0.700 CB 1.495 41 residues pruned to eliminate duplicates Z: 34 31.694 2.051 0.825 0.577 0.939 0.697 CA 1.457 34 residues pruned to eliminate duplicates Z: 43 30.988 1.992 0.805 0.551 0.905 0.619 CB 1.399 43 residues pruned to eliminate duplicates Z: 87 41.724 2.013 0.659 0.570 0.953 0.640 CB 1.320 87 residues pruned to eliminate duplicates Z: 38 35.254 2.080 0.798 0.531 0.973 0.703 CB 1.544 38 residues pruned to eliminate duplicates Z: 25 33.586 2.101 0.846 0.713 0.958 0.667 CB 1.521 25 residues pruned to eliminate duplicates Z: 41 33.794 2.056 0.762 0.594 0.950 0.650 CB 1.419 41 residues pruned to eliminate duplicates Z: 33 35.172 2.073 0.827 0.602 1.000 0.750 CA 1.490 33 residues pruned to eliminate duplicates Z: 36 35.912 2.075 0.919 0.557 0.943 0.600 CA 1.529 36 residues pruned to eliminate duplicates Z: 82 39.570 1.993 0.641 0.559 0.975 0.605 CB 1.302 82 residues pruned to eliminate duplicates Z: 83 45.916 2.039 0.764 0.597 0.963 0.598 CB 1.334 83 residues pruned to eliminate duplicates Z: 85 38.292 1.971 0.722 0.560 0.940 0.548 CB 1.235 85 residues pruned to eliminate duplicates Z: 10 6.378 1.710 0.542 0.418 0.667 0.556 CB 1.317 10 residues pruned to eliminate duplicates Z: 8 12.724 1.880 0.866 0.491 1.000 0.857 CB 1.384 8 residues pruned to eliminate duplicates Z: 9 12.171 1.887 0.899 0.462 0.875 0.750 CB 1.427 9 residues pruned to eliminate duplicates Z: 12 9.727 1.856 0.812 0.411 0.818 0.545 CB 1.170 12 residues pruned to eliminate duplicates Z: 31 23.762 1.950 0.748 0.588 0.967 0.633 CB 1.210 31 residues pruned to eliminate duplicates Z: 6 4.044 1.548 0.150 0.415 1.000 0.800 CA 1.110 6 residues pruned to eliminate duplicates Z: 34 18.684 1.895 0.666 0.517 0.970 0.636 CB 1.045 34 residues pruned to eliminate duplicates Z: 18 13.613 1.930 0.668 0.408 0.882 0.471 CA 1.281 18 residues pruned to eliminate duplicates Z: 33 16.762 1.837 0.783 0.539 0.844 0.500 CB 1.032 33 residues pruned to eliminate duplicates Z: 26 21.288 1.954 0.798 0.581 0.880 0.520 CB 1.274 26 residues pruned to eliminate duplicates Z: 30 18.383 1.957 0.539 0.542 0.897 0.586 CB 1.214 30 residues pruned to eliminate duplicates Z: 6 3.760 1.937 0.117 0.295 1.000 0.400 CB 0.977 6 residues pruned to eliminate duplicates Z: 31 21.087 1.934 0.682 0.572 0.933 0.567 CB 1.182 31 residues pruned to eliminate duplicates Z: 27 16.205 1.879 0.575 0.511 0.923 0.615 CB 1.150 27 residues pruned to eliminate duplicates Z: 35 21.783 1.868 0.723 0.562 0.941 0.559 CB 1.161 38 residues pruned to eliminate duplicates Z: 13 17.104 1.952 0.699 0.762 1.000 0.917 CB 1.179 13 residues pruned to eliminate duplicates Z: 26 20.596 1.954 0.862 0.580 0.880 0.560 CB 1.191 26 residues pruned to eliminate duplicates Z: 12 15.677 1.900 1.119 0.810 0.909 0.818 CB 0.986 12 residues pruned to eliminate duplicates Z: 31 16.309 1.909 0.516 0.505 0.867 0.633 CB 1.181 31 residues pruned to eliminate duplicates Z: 12 19.437 1.824 1.101 0.909 1.000 0.909 CB 1.085 12 residues pruned to eliminate duplicates Z: 13 16.304 1.884 1.070 0.651 0.917 0.750 CB 1.144 13 residues pruned to eliminate duplicates Z: 27 18.587 1.814 0.686 0.614 1.000 0.692 CB 1.069 27 residues pruned to eliminate duplicates Z: 15 16.626 1.963 0.834 0.717 1.000 0.714 CB 1.014 15 residues pruned to eliminate duplicates Z: 31 19.240 1.951 0.599 0.539 0.867 0.567 CA 1.250 31 residues pruned to eliminate duplicates Z: 32 17.924 1.864 0.675 0.494 0.903 0.581 CB 1.149 32 residues pruned to eliminate duplicates Z: 27 18.484 1.927 0.733 0.544 0.885 0.654 CB 1.176 27 residues pruned to eliminate duplicates Z: 30 22.948 1.851 0.837 0.615 0.931 0.586 CB 1.207 30 residues pruned to eliminate duplicates Z: 25 18.364 1.921 0.872 0.549 0.875 0.667 CB 1.135 25 residues pruned to eliminate duplicates Z: 42 23.724 1.875 0.640 0.545 0.927 0.585 CB 1.244 42 residues pruned to eliminate duplicates Z: 26 21.066 1.886 0.829 0.646 0.920 0.720 CB 1.159 29 residues pruned to eliminate duplicates Z: 12 17.523 1.918 1.101 0.909 1.000 0.727 CB 0.931 12 residues pruned to eliminate duplicates Z: 23 15.721 1.900 0.893 0.519 0.864 0.545 CB 1.059 20 residues pruned to eliminate duplicates Z: 13 25.384 1.868 1.262 0.875 1.000 0.917 CB 1.261 13 residues pruned to eliminate duplicates Z: 32 20.474 1.918 0.790 0.547 0.871 0.581 CB 1.174 34 residues pruned to eliminate duplicates Z: 10 16.744 2.044 1.121 0.916 1.000 0.889 CB 0.909 10 residues pruned to eliminate duplicates Z: 27 19.923 1.903 0.805 0.609 0.885 0.692 CB 1.159 27 residues pruned to eliminate duplicates Z: 28 21.063 1.936 0.840 0.619 0.963 0.704 CB 1.056 28 residues pruned to eliminate duplicates Z: 35 21.889 1.872 0.655 0.570 0.853 0.559 CB 1.328 35 residues pruned to eliminate duplicates Z: 28 21.317 1.923 0.785 0.586 0.963 0.741 CB 1.143 28 residues pruned to eliminate duplicates Z: 13 10.362 1.883 0.561 0.485 0.833 0.750 CA 1.239 13 residues pruned to eliminate duplicates Z: 12 15.647 1.961 0.954 0.538 0.909 0.727 CA 1.305 12 residues pruned to eliminate duplicates Z: 37 22.027 1.874 0.798 0.554 0.889 0.611 CB 1.163 36 residues pruned to eliminate duplicates Z: 6 2.659 1.484 0.939 0.241 0.800 0.400 N 0.697 6 residues pruned to eliminate duplicates Z: 11 14.407 1.931 0.884 0.519 1.000 0.700 CA 1.229 11 residues pruned to eliminate duplicates Z: 29 20.722 1.922 0.759 0.602 0.929 0.714 CB 1.132 29 residues pruned to eliminate duplicates Z: 12 9.048 1.780 0.252 0.580 0.909 0.455 CB 1.246 12 residues pruned to eliminate duplicates Z: 19 13.151 1.780 0.471 0.460 0.944 0.556 CA 1.307 19 residues pruned to eliminate duplicates Z: 37 16.741 1.833 0.391 0.428 0.917 0.583 CB 1.286 37 residues pruned to eliminate duplicates Z: 12 8.882 1.773 0.221 0.534 0.909 0.636 CB 1.316 12 residues pruned to eliminate duplicates Z: 20 13.673 1.820 0.382 0.457 1.000 0.526 CB 1.302 20 residues pruned to eliminate duplicates Z: 40 16.159 1.773 0.532 0.401 0.872 0.590 CB 1.213 40 residues pruned to eliminate duplicates Z: 21 12.010 1.745 0.357 0.432 0.900 0.550 CA 1.352 21 residues pruned to eliminate duplicates Z: 51 13.791 1.755 0.441 0.376 0.780 0.500 CB 1.129 51 residues pruned to eliminate duplicates Z: 14 7.654 1.716 0.171 0.455 0.846 0.615 CB 1.308 14 residues pruned to eliminate duplicates Z: 45 16.042 1.731 0.530 0.372 0.886 0.523 CB 1.181 45 residues pruned to eliminate duplicates Z: 21 9.307 1.755 0.266 0.439 0.750 0.450 CB 1.330 21 residues pruned to eliminate duplicates Z: 38 15.726 1.778 0.449 0.421 0.865 0.568 CB 1.260 38 residues pruned to eliminate duplicates Z: 38 15.481 1.748 0.371 0.422 0.892 0.514 CA 1.292 38 residues pruned to eliminate duplicates Z: 25 9.198 1.795 0.462 0.333 0.708 0.500 CB 1.213 25 residues pruned to eliminate duplicates Z: 38 16.080 1.783 0.437 0.424 0.865 0.514 CB 1.291 38 residues pruned to eliminate duplicates Z: 24 11.413 1.760 0.323 0.358 0.913 0.609 CA 1.305 24 residues pruned to eliminate duplicates Z: 28 14.130 1.799 0.365 0.407 0.926 0.593 CB 1.319 28 residues pruned to eliminate duplicates Z: 37 14.256 1.780 0.364 0.420 0.833 0.528 CB 1.276 37 residues pruned to eliminate duplicates Z: 40 16.792 1.826 0.427 0.434 0.872 0.538 CB 1.268 40 residues pruned to eliminate duplicates Z: 42 14.488 1.797 0.427 0.386 0.854 0.488 CB 1.166 42 residues pruned to eliminate duplicates Z: 37 18.343 1.800 0.546 0.431 0.889 0.639 CB 1.328 37 residues pruned to eliminate duplicates Z: 35 16.149 1.825 0.374 0.410 0.912 0.647 CA 1.331 35 residues pruned to eliminate duplicates Z: 36 16.099 1.800 0.377 0.432 0.886 0.543 CB 1.331 36 residues pruned to eliminate duplicates Z: 18 10.018 1.734 0.540 0.460 0.765 0.529 CB 1.239 18 residues pruned to eliminate duplicates Z: 29 14.526 1.807 0.495 0.378 0.857 0.500 CB 1.350 29 residues pruned to eliminate duplicates Z: 39 14.449 1.777 0.443 0.429 0.868 0.526 CB 1.133 39 residues pruned to eliminate duplicates Z: 31 13.697 1.805 0.530 0.386 0.867 0.600 CB 1.179 31 residues pruned to eliminate duplicates Z: 19 7.663 1.697 0.600 0.365 0.722 0.333 CB 1.065 19 residues pruned to eliminate duplicates Z: 42 15.401 1.817 0.447 0.402 0.854 0.561 CB 1.187 42 residues pruned to eliminate duplicates Z: 40 17.322 1.799 0.585 0.437 0.897 0.538 CB 1.156 40 residues pruned to eliminate duplicates Z: 15 11.572 1.775 0.543 0.620 0.929 0.714 CB 1.086 15 residues pruned to eliminate duplicates Z: 18 12.063 1.709 0.673 0.534 0.882 0.471 CA 1.121 18 residues pruned to eliminate duplicates Z: 40 16.577 1.778 0.509 0.439 0.872 0.538 CB 1.208 40 residues pruned to eliminate duplicates Z: 9 4.546 1.721 0.320 0.317 0.875 0.250 CB 0.990 9 residues pruned to eliminate duplicates Z: 41 18.738 1.821 0.399 0.444 0.950 0.675 CB 1.297 41 residues pruned to eliminate duplicates Z: 41 17.370 1.829 0.492 0.466 0.875 0.575 CB 1.191 41 residues pruned to eliminate duplicates Z: 49 17.174 1.772 0.507 0.411 0.833 0.604 CB 1.223 49 residues pruned to eliminate duplicates Z: 19 21.484 2.016 0.960 0.453 0.944 0.500 CB 1.423 21 residues pruned to eliminate duplicates Z: 9 13.919 1.834 1.057 0.573 0.875 0.125 CA 1.389 9 residues pruned to eliminate duplicates Z: 46 36.894 2.004 0.827 0.562 0.933 0.644 CB 1.514 46 residues pruned to eliminate duplicates Z: 42 38.224 2.117 0.903 0.564 0.927 0.585 CB 1.503 42 residues pruned to eliminate duplicates Z: 39 39.680 2.124 0.989 0.539 0.921 0.526 CB 1.591 39 residues pruned to eliminate duplicates Z: 44 37.722 2.088 0.931 0.553 0.907 0.465 CB 1.494 44 residues pruned to eliminate duplicates Z: 8 11.181 1.934 0.719 0.528 0.857 0.143 CA 1.442 8 residues pruned to eliminate duplicates Z: 43 34.849 2.087 0.940 0.538 0.881 0.476 CB 1.453 43 residues pruned to eliminate duplicates Z: 41 40.468 2.122 1.006 0.558 0.950 0.550 CB 1.496 41 residues pruned to eliminate duplicates Z: 20 20.109 2.065 0.774 0.475 0.895 0.474 CB 1.444 20 residues pruned to eliminate duplicates Z: 41 37.797 2.128 0.914 0.553 0.900 0.600 CB 1.548 41 residues pruned to eliminate duplicates Z: 18 20.122 2.047 0.850 0.463 0.882 0.353 CB 1.516 18 residues pruned to eliminate duplicates Z: 39 33.499 2.058 0.835 0.491 0.947 0.474 CB 1.533 39 residues pruned to eliminate duplicates Z: 23 19.080 1.938 0.983 0.418 0.909 0.455 CB 1.269 23 residues pruned to eliminate duplicates Z: 40 42.880 2.112 1.066 0.544 0.974 0.615 CB 1.547 41 residues pruned to eliminate duplicates Z: 15 25.695 2.077 0.980 0.701 1.000 0.857 CA 1.391 15 residues pruned to eliminate duplicates Z: 39 38.295 2.133 0.835 0.537 0.974 0.579 CB 1.571 39 residues pruned to eliminate duplicates Z: 43 40.742 2.126 0.934 0.509 0.976 0.524 CB 1.552 43 residues pruned to eliminate duplicates Z: 41 41.091 2.128 0.918 0.575 0.950 0.650 CB 1.558 41 residues pruned to eliminate duplicates Z: 42 38.455 2.110 0.928 0.518 0.951 0.561 CB 1.525 42 residues pruned to eliminate duplicates Z: 34 34.643 2.092 0.913 0.538 0.939 0.576 CB 1.544 34 residues pruned to eliminate duplicates Z: 44 34.767 2.096 0.909 0.522 0.884 0.395 CB 1.466 44 residues pruned to eliminate duplicates Z: 40 37.440 2.126 0.940 0.517 0.923 0.487 CB 1.548 40 residues pruned to eliminate duplicates Z: 42 34.525 2.085 0.934 0.510 0.902 0.439 CB 1.466 40 residues pruned to eliminate duplicates Z: 12 29.611 2.160 1.127 0.844 1.000 0.818 CA 1.447 12 residues pruned to eliminate duplicates Z: 44 38.859 2.072 0.947 0.526 0.977 0.581 CB 1.465 44 residues pruned to eliminate duplicates Z: 16 31.552 2.166 1.060 0.750 0.933 0.867 CA 1.566 16 residues pruned to eliminate duplicates Z: 34 33.408 2.136 1.021 0.512 0.848 0.576 CB 1.569 34 residues pruned to eliminate duplicates Z: 41 37.027 2.144 0.881 0.506 0.950 0.525 CB 1.518 41 residues pruned to eliminate duplicates Z: 42 39.417 2.050 1.023 0.538 0.976 0.366 CB 1.466 42 residues pruned to eliminate duplicates Z: 27 36.116 2.108 1.266 0.561 0.923 0.577 CB 1.514 28 residues pruned to eliminate duplicates Z: 6 3.697 1.476 0.438 0.353 0.800 0.200 O 1.142 6 residues pruned to eliminate duplicates Z: 40 39.834 2.124 1.085 0.513 0.949 0.385 CB 1.498 40 residues pruned to eliminate duplicates Z: 41 39.834 2.121 0.981 0.539 0.975 0.500 CB 1.478 41 residues pruned to eliminate duplicates Z: 40 38.523 2.079 0.980 0.534 0.974 0.333 CB 1.487 40 residues pruned to eliminate duplicates Z: 41 39.413 2.130 1.040 0.525 0.950 0.525 CB 1.473 41 residues pruned to eliminate duplicates Z: 13 5.247 1.530 0.610 0.363 0.833 0.417 CB 0.855 13 residues pruned to eliminate duplicates Z: 38 15.991 1.852 0.655 0.427 0.838 0.568 CB 1.104 38 residues pruned to eliminate duplicates Z: 44 16.907 1.827 0.567 0.403 0.837 0.465 CB 1.191 45 residues pruned to eliminate duplicates Z: 13 9.342 1.837 0.620 0.513 0.833 0.417 CB 1.074 13 residues pruned to eliminate duplicates Z: 9 10.562 1.829 0.660 0.478 1.000 0.500 N 1.257 9 residues pruned to eliminate duplicates Z: 37 20.097 1.896 0.556 0.441 0.917 0.500 CB 1.316 37 residues pruned to eliminate duplicates Z: 9 9.755 1.898 0.349 0.449 1.000 0.500 CB 1.420 9 residues pruned to eliminate duplicates Z: 26 14.282 1.905 0.563 0.342 0.920 0.600 CB 1.239 26 residues pruned to eliminate duplicates Z: 7 3.570 1.689 0.395 0.232 0.833 0.500 CA 1.014 7 residues pruned to eliminate duplicates Z: 34 18.254 1.915 0.674 0.415 0.879 0.455 CB 1.232 34 residues pruned to eliminate duplicates Z: 38 19.448 1.860 0.665 0.429 0.892 0.541 CB 1.247 38 residues pruned to eliminate duplicates Z: 40 18.229 1.890 0.658 0.393 0.872 0.513 CB 1.197 40 residues pruned to eliminate duplicates Z: 47 17.137 1.808 0.573 0.431 0.848 0.522 CB 1.125 51 residues pruned to eliminate duplicates Z: 6 4.967 1.538 0.429 0.474 1.000 1.000 CB 1.038 6 residues pruned to eliminate duplicates Z: 37 19.084 1.892 0.663 0.429 0.889 0.528 CB 1.224 37 residues pruned to eliminate duplicates Z: 38 16.382 1.804 0.593 0.399 0.865 0.486 CB 1.205 38 residues pruned to eliminate duplicates Z: 47 20.427 1.856 0.572 0.389 0.891 0.435 CB 1.303 47 residues pruned to eliminate duplicates Z: 11 11.087 1.620 0.594 0.645 1.000 0.500 CA 1.186 11 residues pruned to eliminate duplicates Z: 20 14.205 1.867 0.660 0.443 0.947 0.526 CB 1.177 20 residues pruned to eliminate duplicates Z: 43 16.868 1.899 0.572 0.364 0.810 0.476 CB 1.247 43 residues pruned to eliminate duplicates Z: 23 16.339 1.911 0.665 0.436 0.909 0.364 CB 1.287 23 residues pruned to eliminate duplicates Z: 35 16.898 1.885 0.687 0.420 0.794 0.441 CB 1.247 35 residues pruned to eliminate duplicates Z: 48 18.051 1.816 0.679 0.377 0.851 0.553 CB 1.158 48 residues pruned to eliminate duplicates Z: 37 14.902 1.812 0.509 0.419 0.833 0.333 CB 1.185 37 residues pruned to eliminate duplicates Z: 11 6.241 1.706 0.875 0.223 0.900 0.100 CB 0.948 11 residues pruned to eliminate duplicates Z: 14 12.464 1.881 0.804 0.564 0.846 0.385 CB 1.131 14 residues pruned to eliminate duplicates Z: 39 17.253 1.897 0.589 0.367 0.895 0.474 CB 1.197 39 residues pruned to eliminate duplicates Z: 37 18.244 1.849 0.713 0.385 0.889 0.472 CB 1.220 37 residues pruned to eliminate duplicates Z: 42 16.651 1.881 0.450 0.387 0.927 0.512 CB 1.159 42 residues pruned to eliminate duplicates Z: 11 4.223 1.842 0.480 0.229 0.800 0.300 CB 0.840 11 residues pruned to eliminate duplicates Z: 12 7.710 1.886 0.925 0.264 0.818 0.545 CB 1.024 9 residues pruned to eliminate duplicates Z: 11 18.405 1.768 0.758 0.863 1.000 0.700 CB 1.373 11 residues pruned to eliminate duplicates Z: 16 14.431 1.767 0.548 0.723 0.933 0.800 CB 1.193 16 residues pruned to eliminate duplicates Z: 14 12.085 1.702 0.547 0.642 0.923 0.769 CB 1.208 14 residues pruned to eliminate duplicates Z: 18 11.170 1.735 0.300 0.731 0.882 0.824 CB 1.107 18 residues pruned to eliminate duplicates Z: 14 8.854 1.733 0.449 0.571 0.769 0.462 CB 1.187 14 residues pruned to eliminate duplicates Z: 14 13.076 1.785 0.583 0.670 1.000 0.538 CB 1.097 14 residues pruned to eliminate duplicates Z: 40 20.755 1.826 0.590 0.545 0.923 0.513 CB 1.187 40 residues pruned to eliminate duplicates Z: 17 12.607 1.728 0.529 0.663 0.938 0.625 CB 1.094 17 residues pruned to eliminate duplicates Z: 18 11.784 1.759 0.506 0.622 0.941 0.706 CB 1.021 18 residues pruned to eliminate duplicates Z: 40 38.442 2.056 0.973 0.578 0.923 0.692 CB 1.524 39 residues pruned to eliminate duplicates Z: 7 10.618 1.772 0.982 0.801 0.833 0.333 CB 1.139 7 residues pruned to eliminate duplicates Z: 47 29.536 1.974 0.736 0.481 0.891 0.587 CB 1.454 49 residues pruned to eliminate duplicates Z: 7 15.533 1.911 0.974 0.798 1.000 0.500 CA 1.295 7 residues pruned to eliminate duplicates Z: 18 18.532 1.975 0.878 0.418 0.882 0.412 CA 1.496 18 residues pruned to eliminate duplicates Z: 17 15.982 1.950 0.715 0.472 0.938 0.562 CB 1.311 17 residues pruned to eliminate duplicates Z: 40 36.503 2.054 0.776 0.557 1.000 0.667 CB 1.516 40 residues pruned to eliminate duplicates Z: 19 15.742 1.933 0.691 0.439 0.889 0.500 CB 1.359 19 residues pruned to eliminate duplicates Z: 41 32.816 2.001 0.697 0.559 0.925 0.600 CB 1.560 49 residues pruned to eliminate duplicates Z: 9 5.527 1.261 0.564 0.596 0.875 0.625 C 1.033 9 residues pruned to eliminate duplicates Z: 40 35.545 2.015 0.852 0.554 0.949 0.718 CB 1.525 40 residues pruned to eliminate duplicates Z: 6 3.580 1.480 0.707 0.295 0.800 0.000 O 0.996 6 residues pruned to eliminate duplicates Z: 40 35.002 2.017 0.826 0.541 0.949 0.641 CB 1.540 40 residues pruned to eliminate duplicates Z: 40 34.045 2.049 0.923 0.470 0.923 0.538 CB 1.546 40 residues pruned to eliminate duplicates Z: 41 37.083 2.068 0.879 0.499 0.975 0.525 CB 1.549 41 residues pruned to eliminate duplicates Z: 40 36.376 2.086 0.878 0.498 0.949 0.615 CB 1.571 40 residues pruned to eliminate duplicates Z: 41 32.254 2.021 0.810 0.475 0.950 0.475 CB 1.505 41 residues pruned to eliminate duplicates Z: 41 37.688 2.084 0.885 0.535 0.950 0.575 CB 1.542 41 residues pruned to eliminate duplicates Z: 43 36.738 2.008 0.975 0.481 0.952 0.690 CB 1.531 43 residues pruned to eliminate duplicates Z: 42 32.464 2.058 0.894 0.473 0.878 0.610 CB 1.522 42 residues pruned to eliminate duplicates Z: 41 34.190 2.000 0.934 0.502 0.925 0.625 CB 1.507 41 residues pruned to eliminate duplicates Z: 39 37.682 2.050 0.909 0.529 0.974 0.579 CA 1.559 39 residues pruned to eliminate duplicates Z: 45 34.130 1.974 0.885 0.482 0.955 0.614 CB 1.475 41 residues pruned to eliminate duplicates Z: 13 28.896 2.016 1.336 0.880 1.000 1.000 CA 1.284 13 residues pruned to eliminate duplicates Z: 95 38.109 1.887 0.791 0.520 0.926 0.564 CB 1.232 138 residues pruned to eliminate duplicates Z: 16 29.428 2.013 1.125 0.752 1.000 0.533 CA 1.419 16 residues pruned to eliminate duplicates Z: 25 30.755 2.032 1.067 0.609 0.917 0.708 CA 1.470 25 residues pruned to eliminate duplicates Z: 41 34.805 2.066 0.927 0.459 0.925 0.575 CA 1.559 41 residues pruned to eliminate duplicates Z: 40 36.241 2.021 0.972 0.512 0.949 0.462 CB 1.517 40 residues pruned to eliminate duplicates Z: 40 36.638 2.070 0.909 0.557 0.949 0.590 CB 1.480 40 residues pruned to eliminate duplicates Z: 39 34.287 2.045 0.943 0.502 0.921 0.526 CB 1.516 39 residues pruned to eliminate duplicates Z: 39 33.804 2.039 0.927 0.482 0.947 0.474 CB 1.500 39 residues pruned to eliminate duplicates Z: 6 7.890 1.819 0.094 0.822 1.000 0.800 CB 1.341 6 residues pruned to eliminate duplicates Z: 36 16.695 1.887 0.581 0.407 0.829 0.514 CB 1.258 36 residues pruned to eliminate duplicates Z: 18 9.689 1.832 0.367 0.334 0.882 0.588 CB 1.275 18 residues pruned to eliminate duplicates Z: 38 20.490 1.890 0.627 0.408 0.892 0.486 CB 1.353 38 residues pruned to eliminate duplicates Z: 40 18.407 1.851 0.544 0.410 0.897 0.487 CB 1.263 40 residues pruned to eliminate duplicates Z: 15 9.701 1.842 0.301 0.454 0.857 0.357 CB 1.323 15 residues pruned to eliminate duplicates Z: 36 21.611 1.863 0.765 0.425 0.886 0.543 CB 1.356 36 residues pruned to eliminate duplicates Z: 25 13.518 1.838 0.540 0.305 0.917 0.458 CA 1.320 25 residues pruned to eliminate duplicates Z: 35 15.062 1.843 0.595 0.323 0.882 0.559 CB 1.211 35 residues pruned to eliminate duplicates Z: 41 19.440 1.887 0.599 0.418 0.875 0.500 CB 1.269 41 residues pruned to eliminate duplicates Z: 38 19.537 1.873 0.603 0.450 0.892 0.568 CB 1.263 38 residues pruned to eliminate duplicates Z: 39 16.465 1.830 0.477 0.399 0.868 0.526 CB 1.266 39 residues pruned to eliminate duplicates Z: 36 20.644 1.921 0.482 0.461 0.914 0.514 CB 1.395 36 residues pruned to eliminate duplicates Z: 43 19.381 1.851 0.580 0.388 0.905 0.571 CB 1.273 43 residues pruned to eliminate duplicates Z: 24 15.366 1.811 0.646 0.416 0.913 0.522 CB 1.285 24 residues pruned to eliminate duplicates Z: 38 20.528 1.885 0.551 0.450 0.919 0.568 CB 1.322 38 residues pruned to eliminate duplicates Z: 31 13.675 1.827 0.519 0.378 0.833 0.567 CB 1.229 31 residues pruned to eliminate duplicates Z: 34 16.047 1.880 0.512 0.377 0.848 0.394 CB 1.320 34 residues pruned to eliminate duplicates Z: 33 19.896 1.888 0.688 0.412 0.906 0.594 CB 1.335 33 residues pruned to eliminate duplicates Z: 41 16.634 1.875 0.444 0.374 0.900 0.550 CB 1.236 41 residues pruned to eliminate duplicates Z: 29 18.945 1.865 0.660 0.430 0.964 0.500 CB 1.290 29 residues pruned to eliminate duplicates Z: 16 13.993 1.871 0.583 0.556 0.933 0.600 CB 1.237 16 residues pruned to eliminate duplicates Z: 23 11.842 1.817 0.551 0.397 0.818 0.545 CB 1.220 23 residues pruned to eliminate duplicates Z: 37 20.225 1.884 0.550 0.439 0.889 0.611 CB 1.382 37 residues pruned to eliminate duplicates Z: 43 18.103 1.855 0.553 0.380 0.929 0.524 CB 1.186 43 residues pruned to eliminate duplicates Z: 44 16.833 1.874 0.408 0.394 0.884 0.581 CB 1.232 44 residues pruned to eliminate duplicates Z: 39 19.276 1.854 0.594 0.422 0.895 0.526 CB 1.283 39 residues pruned to eliminate duplicates Z: 32 17.011 1.871 0.438 0.442 0.903 0.581 CB 1.334 32 residues pruned to eliminate duplicates Z: 25 15.445 1.896 0.554 0.379 0.917 0.542 CB 1.328 25 residues pruned to eliminate duplicates Z: 37 18.511 1.803 0.564 0.488 0.889 0.556 CB 1.245 37 residues pruned to eliminate duplicates Z: 43 19.209 1.871 0.596 0.396 0.905 0.595 CB 1.225 43 residues pruned to eliminate duplicates Z: 18 13.058 1.883 0.615 0.460 0.882 0.706 CB 1.228 18 residues pruned to eliminate duplicates Z: 41 20.901 1.864 0.552 0.454 0.925 0.600 CB 1.295 41 residues pruned to eliminate duplicates Z: 39 19.910 1.885 0.581 0.400 0.921 0.447 CB 1.308 39 residues pruned to eliminate duplicates Z: 10 4.489 1.756 0.405 0.297 0.778 0.444 CB 0.978 Z: 6 2.703 1.368 0.323 0.301 0.800 0.600 CA 1.042 7 residues pruned to eliminate duplicates Z: 6 3.916 1.455 0.516 0.404 1.000 0.600 CA 0.878 Z: 9 19.973 1.907 1.070 0.623 1.000 0.250 CA 1.593 Z: 8 13.766 1.825 1.067 0.603 0.857 0.571 CA 1.459 8 residues pruned to eliminate duplicates Z: 42 34.019 2.034 0.851 0.538 0.902 0.610 CA 1.506 42 residues pruned to eliminate duplicates Z: 44 29.939 2.061 0.783 0.491 0.837 0.488 CB 1.497 44 residues pruned to eliminate duplicates Z: 41 38.510 2.114 0.921 0.510 0.950 0.625 CB 1.563 41 residues pruned to eliminate duplicates Z: 44 31.570 2.064 0.837 0.476 0.930 0.512 CB 1.399 44 residues pruned to eliminate duplicates Z: 41 32.090 2.095 0.868 0.516 0.875 0.575 CB 1.458 41 residues pruned to eliminate duplicates Z: 41 34.124 2.111 0.886 0.515 0.900 0.575 CB 1.484 41 residues pruned to eliminate duplicates Z: 42 35.610 2.057 0.919 0.552 0.902 0.610 CB 1.484 42 residues pruned to eliminate duplicates Z: 42 35.894 2.080 0.931 0.519 0.902 0.683 CB 1.519 42 residues pruned to eliminate duplicates Z: 41 36.656 2.119 0.948 0.529 0.950 0.575 CB 1.436 41 residues pruned to eliminate duplicates Z: 20 20.900 2.042 0.863 0.386 0.895 0.474 CB 1.590 20 residues pruned to eliminate duplicates Z: 43 35.511 2.087 0.874 0.507 0.905 0.571 CB 1.538 43 residues pruned to eliminate duplicates Z: 42 34.742 2.075 0.950 0.501 0.878 0.610 CB 1.526 57 residues pruned to eliminate duplicates Z: 14 21.838 2.022 1.019 0.735 0.923 0.846 CB 1.301 14 residues pruned to eliminate duplicates Z: 22 26.540 2.119 0.715 0.642 0.952 0.810 CA 1.466 22 residues pruned to eliminate duplicates Z: 42 33.925 2.087 0.832 0.506 0.902 0.659 CB 1.527 42 residues pruned to eliminate duplicates Z: 96 46.173 2.039 0.776 0.492 0.916 0.611 CB 1.440 96 residues pruned to eliminate duplicates Z: 42 31.304 2.062 0.749 0.492 0.927 0.634 CA 1.474 42 residues pruned to eliminate duplicates Z: 42 35.352 2.097 0.727 0.502 0.976 0.634 CA 1.558 42 residues pruned to eliminate duplicates Z: 41 37.241 2.129 0.906 0.489 0.925 0.725 CA 1.586 41 residues pruned to eliminate duplicates Z: 41 37.140 2.131 0.871 0.490 0.925 0.650 CA 1.608 41 residues pruned to eliminate duplicates Z: 42 28.834 2.082 0.747 0.499 0.829 0.585 CB 1.494 42 residues pruned to eliminate duplicates Z: 29 26.280 2.082 0.683 0.555 0.929 0.750 CA 1.447 29 residues pruned to eliminate duplicates Z: 42 33.387 2.053 0.832 0.509 0.927 0.585 CB 1.482 42 residues pruned to eliminate duplicates Z: 42 34.564 2.101 0.914 0.483 0.902 0.634 CB 1.513 42 residues pruned to eliminate duplicates Z: 41 38.155 2.131 0.869 0.514 0.950 0.600 CB 1.573 41 residues pruned to eliminate duplicates Z: 43 36.861 2.091 0.927 0.481 0.952 0.595 CB 1.511 43 residues pruned to eliminate duplicates Z: 25 31.654 2.022 1.057 0.618 0.958 0.458 CB 1.451 25 residues pruned to eliminate duplicates Z: 33 35.497 2.089 0.928 0.538 1.000 0.500 CB 1.502 33 residues pruned to eliminate duplicates Z: 41 37.971 2.108 0.990 0.509 0.925 0.400 CB 1.534 41 residues pruned to eliminate duplicates Z: 6 3.139 1.385 0.401 0.325 0.800 0.800 CA 1.095 6 residues pruned to eliminate duplicates Z: 42 33.493 2.041 0.964 0.499 0.878 0.415 CB 1.487 42 residues pruned to eliminate duplicates Z: 42 37.573 2.069 1.037 0.518 0.927 0.512 CB 1.476 41 residues pruned to eliminate duplicates Z: 23 22.686 1.983 0.213 0.909 1.000 0.955 CA 1.427 23 residues pruned to eliminate duplicates Z: 50 19.953 1.799 0.336 0.579 0.898 0.633 CB 1.224 50 residues pruned to eliminate duplicates Z: 79 33.689 1.917 0.494 0.606 0.910 0.679 CB 1.323 79 residues pruned to eliminate duplicates Z: 76 36.663 1.933 0.602 0.607 0.920 0.680 CB 1.342 76 residues pruned to eliminate duplicates Z: 29 23.651 1.897 0.530 0.710 0.964 0.750 CA 1.320 29 residues pruned to eliminate duplicates Z: 27 25.472 1.917 0.511 0.781 0.962 0.885 CB 1.400 27 residues pruned to eliminate duplicates Z: 26 26.881 1.955 0.561 0.790 0.960 0.760 CA 1.423 26 residues pruned to eliminate duplicates Z: 82 34.334 1.893 0.506 0.611 0.914 0.617 CB 1.319 82 residues pruned to eliminate duplicates Z: 30 20.976 1.861 0.553 0.687 0.931 0.655 CB 1.219 30 residues pruned to eliminate duplicates Z: 56 25.290 1.868 0.534 0.596 0.873 0.636 CB 1.244 56 residues pruned to eliminate duplicates Z: 25 24.645 1.964 0.517 0.817 0.958 0.833 CB 1.339 25 residues pruned to eliminate duplicates Z: 80 35.760 1.926 0.518 0.602 0.924 0.595 CB 1.350 80 residues pruned to eliminate duplicates Z: 32 20.508 1.844 0.477 0.659 0.903 0.581 CB 1.291 32 residues pruned to eliminate duplicates Z: 42 23.302 1.856 0.479 0.664 0.927 0.585 CB 1.229 42 residues pruned to eliminate duplicates Z: 41 24.703 1.924 0.472 0.697 0.975 0.725 CB 1.182 41 residues pruned to eliminate duplicates Z: 36 25.648 1.898 0.554 0.688 0.971 0.771 CB 1.273 36 residues pruned to eliminate duplicates Z: 27 25.973 1.957 0.610 0.764 0.962 0.885 CB 1.330 27 residues pruned to eliminate duplicates Z: 78 34.879 1.899 0.594 0.613 0.909 0.675 CB 1.298 78 residues pruned to eliminate duplicates Z: 32 26.914 1.931 0.735 0.751 0.903 0.677 CB 1.276 32 residues pruned to eliminate duplicates Z: 78 38.624 1.937 0.650 0.618 0.948 0.662 CB 1.300 78 residues pruned to eliminate duplicates Z: 83 35.983 1.911 0.536 0.606 0.927 0.610 CB 1.321 83 residues pruned to eliminate duplicates Z: 79 35.469 1.910 0.500 0.627 0.936 0.641 CB 1.329 79 residues pruned to eliminate duplicates Z: 84 35.996 1.904 0.558 0.601 0.952 0.651 CB 1.271 84 residues pruned to eliminate duplicates Z: 42 22.592 1.841 0.700 0.645 0.902 0.585 CB 1.091 42 residues pruned to eliminate duplicates Z: 71 35.383 1.927 0.526 0.626 0.943 0.643 CB 1.355 71 residues pruned to eliminate duplicates Z: 85 35.950 1.883 0.561 0.594 0.964 0.643 CB 1.264 85 residues pruned to eliminate duplicates Z: 83 35.609 1.910 0.532 0.608 0.927 0.671 CB 1.309 83 residues pruned to eliminate duplicates Z: 36 26.639 1.863 0.636 0.682 1.000 0.629 CB 1.250 36 residues pruned to eliminate duplicates Z: 78 40.469 1.947 0.617 0.644 0.948 0.636 CB 1.351 78 residues pruned to eliminate duplicates Z: 84 36.853 1.885 0.581 0.601 0.940 0.639 CB 1.313 84 residues pruned to eliminate duplicates Z: 26 13.665 1.846 0.481 0.466 0.920 0.560 CB 1.124 26 residues pruned to eliminate duplicates Z: 53 21.540 1.880 0.417 0.516 0.865 0.519 CB 1.275 53 residues pruned to eliminate duplicates Z: 79 37.735 1.930 0.546 0.614 0.949 0.603 CB 1.354 79 residues pruned to eliminate duplicates Z: 53 30.344 1.930 0.572 0.583 0.942 0.692 CB 1.359 53 residues pruned to eliminate duplicates Z: 43 25.183 1.868 0.597 0.626 0.929 0.548 CB 1.246 43 residues pruned to eliminate duplicates Z: 14 15.514 1.853 0.596 0.598 0.923 0.846 CB 1.436 14 residues pruned to eliminate duplicates Z: 35 27.961 1.935 0.625 0.591 0.971 0.618 CB 1.440 35 residues pruned to eliminate duplicates Z: 83 36.984 1.896 0.573 0.608 0.963 0.659 CB 1.283 83 residues pruned to eliminate duplicates Z: 54 23.345 1.873 0.498 0.515 0.868 0.585 CB 1.297 54 residues pruned to eliminate duplicates Z: 78 37.689 1.920 0.546 0.617 0.961 0.662 CB 1.347 78 residues pruned to eliminate duplicates Z: 39 28.374 1.929 0.579 0.602 0.974 0.658 CA 1.407 39 residues pruned to eliminate duplicates Z: 39 25.514 1.894 0.512 0.621 0.947 0.711 CA 1.361 Z: 7 3.742 1.447 0.200 0.517 1.000 0.500 CB 0.865 7 residues pruned to eliminate duplicates Z: 11 11.651 1.858 1.010 0.579 0.800 0.600 CB 1.143 50 residues pruned to eliminate duplicates Z: 42 25.910 1.941 0.485 0.570 0.951 0.659 CB 1.379 42 residues pruned to eliminate duplicates Z: 46 27.931 1.903 0.549 0.550 0.956 0.622 CB 1.407 46 residues pruned to eliminate duplicates Z: 47 25.676 1.902 0.523 0.536 0.913 0.587 CB 1.382 47 residues pruned to eliminate duplicates Z: 39 25.318 1.942 0.565 0.546 0.947 0.658 CA 1.363 39 residues pruned to eliminate duplicates Z: 44 27.143 1.927 0.619 0.548 0.907 0.651 CB 1.397 44 residues pruned to eliminate duplicates Z: 39 26.422 1.932 0.546 0.593 0.947 0.632 CA 1.387 39 residues pruned to eliminate duplicates Z: 39 24.526 1.908 0.460 0.550 0.974 0.658 CB 1.397 39 residues pruned to eliminate duplicates Z: 44 26.814 1.932 0.560 0.560 0.907 0.698 CA 1.411 44 residues pruned to eliminate duplicates Z: 48 26.107 1.912 0.515 0.548 0.915 0.638 CB 1.371 48 residues pruned to eliminate duplicates Z: 39 27.887 1.937 0.634 0.582 0.974 0.632 CA 1.357 39 residues pruned to eliminate duplicates Z: 38 26.617 1.930 0.628 0.546 0.946 0.649 CA 1.406 38 residues pruned to eliminate duplicates Z: 45 25.751 1.913 0.495 0.563 0.932 0.682 CB 1.371 45 residues pruned to eliminate duplicates Z: 38 29.257 1.934 0.682 0.598 0.973 0.703 CA 1.384 38 residues pruned to eliminate duplicates Z: 23 20.799 1.890 0.561 0.690 0.955 0.682 CA 1.323 Z: 13 15.232 1.833 0.443 0.809 1.000 0.583 CB 1.270 13 residues pruned to eliminate duplicates Z: 46 26.230 1.851 0.640 0.593 0.956 0.622 CB 1.233 69 residues pruned to eliminate duplicates Z: 37 28.116 1.946 0.537 0.605 0.972 0.611 CB 1.457 37 residues pruned to eliminate duplicates Z: 38 25.492 1.965 0.494 0.565 0.946 0.703 CA 1.417 38 residues pruned to eliminate duplicates Z: 48 25.395 1.906 0.520 0.555 0.915 0.617 CB 1.324 48 residues pruned to eliminate duplicates Z: 43 26.250 1.915 0.592 0.554 0.952 0.643 CB 1.324 43 residues pruned to eliminate duplicates Z: 39 28.279 1.944 0.576 0.599 0.974 0.658 CA 1.399 39 residues pruned to eliminate duplicates Z: 79 37.559 1.931 0.547 0.614 0.962 0.692 CB 1.329 79 residues pruned to eliminate duplicates Z: 38 26.757 1.953 0.552 0.585 0.973 0.595 CB 1.375 38 residues pruned to eliminate duplicates Z: 44 26.402 1.925 0.518 0.576 0.953 0.674 CB 1.343 44 residues pruned to eliminate duplicates Z: 38 29.072 1.965 0.657 0.578 0.946 0.649 CB 1.440 38 residues pruned to eliminate duplicates Z: 43 27.063 1.925 0.672 0.534 0.929 0.643 CB 1.351 43 residues pruned to eliminate duplicates Z: 38 27.693 1.944 0.654 0.615 0.892 0.649 CA 1.424 38 residues pruned to eliminate duplicates Z: 38 26.769 1.949 0.684 0.584 0.892 0.622 CB 1.387 38 residues pruned to eliminate duplicates Z: 37 30.776 1.959 0.835 0.592 0.944 0.639 CB 1.384 37 residues pruned to eliminate duplicates Z: 37 29.851 1.949 0.707 0.619 0.944 0.667 CB 1.415 37 residues pruned to eliminate duplicates Z: 43 25.246 1.909 0.623 0.507 0.905 0.619 CB 1.380 43 residues pruned to eliminate duplicates Z: 16 11.453 1.805 0.781 0.369 0.800 0.467 CB 1.323 16 residues pruned to eliminate duplicates Z: 20 14.345 1.904 0.561 0.362 0.895 0.474 CB 1.437 20 residues pruned to eliminate duplicates Z: 42 29.683 1.986 0.640 0.511 0.927 0.683 CA 1.519 42 residues pruned to eliminate duplicates Z: 7 5.344 1.682 0.759 0.728 0.500 0.333 CA 1.201 7 residues pruned to eliminate duplicates Z: 42 31.060 1.989 0.756 0.487 0.902 0.585 CA 1.558 42 residues pruned to eliminate duplicates Z: 20 12.549 1.893 0.414 0.351 0.895 0.421 CB 1.412 20 residues pruned to eliminate duplicates Z: 42 30.191 1.988 0.704 0.509 0.902 0.610 CA 1.528 42 residues pruned to eliminate duplicates Z: 41 34.593 2.030 0.790 0.510 0.925 0.525 CA 1.610 41 residues pruned to eliminate duplicates Z: 18 14.665 1.947 0.459 0.379 0.941 0.412 CA 1.514 18 residues pruned to eliminate duplicates Z: 41 26.590 1.982 0.548 0.508 0.925 0.575 CA 1.469 41 residues pruned to eliminate duplicates Z: 41 31.913 1.974 0.787 0.526 0.925 0.625 CA 1.507 41 residues pruned to eliminate duplicates Z: 20 15.031 1.920 0.668 0.387 0.842 0.474 CB 1.442 20 residues pruned to eliminate duplicates Z: 42 27.883 1.965 0.686 0.478 0.927 0.512 CA 1.450 42 residues pruned to eliminate duplicates Z: 45 27.807 1.937 0.634 0.477 0.886 0.568 CB 1.530 45 residues pruned to eliminate duplicates Z: 42 29.699 1.980 0.685 0.500 0.927 0.537 CB 1.499 42 residues pruned to eliminate duplicates Z: 42 29.015 2.001 0.642 0.473 0.927 0.610 CA 1.529 42 residues pruned to eliminate duplicates Z: 33 29.536 2.001 0.861 0.543 0.875 0.688 CA 1.537 33 residues pruned to eliminate duplicates Z: 41 32.509 1.983 0.874 0.487 0.925 0.700 CB 1.515 41 residues pruned to eliminate duplicates Z: 42 29.766 1.962 0.806 0.481 0.878 0.585 CB 1.524 42 residues pruned to eliminate duplicates Z: 41 34.818 1.988 0.883 0.500 0.950 0.675 CA 1.548 42 residues pruned to eliminate duplicates Z: 13 21.492 1.951 0.652 0.871 1.000 1.000 CB 1.404 13 residues pruned to eliminate duplicates Z: 42 32.455 1.983 0.822 0.482 0.927 0.585 CA 1.542 42 residues pruned to eliminate duplicates Z: 43 35.066 1.993 0.801 0.502 0.929 0.643 CA 1.620 43 residues pruned to eliminate duplicates Z: 26 28.782 1.995 0.920 0.587 0.920 0.760 CA 1.503 25 residues pruned to eliminate duplicates Z: 13 22.032 1.962 0.782 0.876 1.000 1.000 CB 1.322 13 residues pruned to eliminate duplicates Z: 33 26.540 2.012 0.741 0.524 0.906 0.656 CA 1.444 33 residues pruned to eliminate duplicates Z: 42 29.684 1.973 0.774 0.465 0.902 0.512 CB 1.520 42 residues pruned to eliminate duplicates Z: 42 33.523 1.990 0.836 0.488 0.951 0.659 CA 1.525 42 residues pruned to eliminate duplicates Z: 41 34.695 2.039 0.811 0.494 0.950 0.600 CA 1.574 41 residues pruned to eliminate duplicates Z: 42 34.287 1.983 0.897 0.486 0.951 0.610 CB 1.518 42 residues pruned to eliminate duplicates Z: 41 35.094 2.022 0.874 0.483 0.975 0.550 CA 1.528 41 residues pruned to eliminate duplicates Z: 41 36.017 2.006 0.895 0.514 0.975 0.600 CA 1.515 41 residues pruned to eliminate duplicates Z: 43 31.070 1.944 0.856 0.473 0.929 0.571 CB 1.471 43 residues pruned to eliminate duplicates Z: 42 32.471 1.982 0.896 0.478 0.902 0.439 CB 1.529 42 residues pruned to eliminate duplicates Z: 41 32.251 2.021 0.893 0.472 0.875 0.500 CA 1.568 41 residues pruned to eliminate duplicates Z: 41 29.969 1.981 0.771 0.461 0.925 0.425 CA 1.519 41 residues pruned to eliminate duplicates Z: 17 18.774 1.906 0.865 0.557 0.875 0.562 CA 1.428 17 residues pruned to eliminate duplicates Z: 42 30.263 1.967 0.749 0.469 0.951 0.415 CB 1.491 42 residues pruned to eliminate duplicates Z: 24 29.696 2.108 0.671 0.844 0.957 0.826 CA 1.367 24 residues pruned to eliminate duplicates Z: 26 33.065 2.072 0.782 0.772 0.960 0.840 CA 1.467 26 residues pruned to eliminate duplicates Z: 27 28.809 2.037 0.598 0.745 0.962 0.808 CA 1.451 27 residues pruned to eliminate duplicates Z: 26 34.228 2.087 0.766 0.788 0.960 0.840 CA 1.501 26 residues pruned to eliminate duplicates Z: 39 32.964 2.014 0.719 0.689 0.974 0.763 CB 1.335 59 residues pruned to eliminate duplicates Z: 24 33.241 2.053 0.796 0.900 1.000 0.870 CA 1.344 24 residues pruned to eliminate duplicates Z: 74 40.425 2.029 0.682 0.592 0.890 0.644 CB 1.426 74 residues pruned to eliminate duplicates Z: 25 36.908 2.098 0.833 0.807 0.958 0.875 CB 1.564 35 residues pruned to eliminate duplicates Z: 24 34.191 2.076 0.882 0.833 0.957 0.565 CA 1.431 24 residues pruned to eliminate duplicates Z: 25 36.415 2.091 1.029 0.790 0.958 0.583 CA 1.418 25 residues pruned to eliminate duplicates Z: 25 40.656 2.110 1.071 0.795 0.958 0.667 CA 1.531 25 residues pruned to eliminate duplicates Z: 24 37.995 2.043 1.031 0.875 1.000 0.652 CA 1.389 24 residues pruned to eliminate duplicates Z: 25 40.268 2.097 1.088 0.796 0.958 0.625 CB 1.512 25 residues pruned to eliminate duplicates Z: 25 40.740 2.107 1.071 0.819 0.958 0.792 CA 1.508 25 residues pruned to eliminate duplicates Z: 24 37.206 2.068 0.899 0.887 1.000 0.739 CA 1.425 24 residues pruned to eliminate duplicates Z: 43 31.504 1.922 0.871 0.591 0.881 0.548 CA 1.406 58 residues pruned to eliminate duplicates Z: 24 35.616 2.086 0.836 0.855 1.000 0.565 CA 1.431 24 residues pruned to eliminate duplicates Z: 25 35.998 2.103 0.956 0.822 0.958 0.833 CA 1.410 25 residues pruned to eliminate duplicates Z: 26 38.574 2.091 0.939 0.764 1.000 0.600 CB 1.506 26 residues pruned to eliminate duplicates Z: 28 30.674 1.990 0.828 0.706 0.926 0.630 CA 1.453 28 residues pruned to eliminate duplicates Z: 34 34.459 2.034 0.867 0.724 0.970 0.667 CB 1.330 34 residues pruned to eliminate duplicates Z: 37 35.638 2.052 0.886 0.728 0.944 0.639 CB 1.323 37 residues pruned to eliminate duplicates Z: 38 31.835 2.042 0.910 0.610 0.946 0.622 CB 1.278 38 residues pruned to eliminate duplicates Z: 31 39.162 2.104 0.854 0.745 1.000 0.733 CA 1.471 31 residues pruned to eliminate duplicates Z: 16 11.170 1.703 1.076 0.425 0.933 0.533 CB 0.945 16 residues pruned to eliminate duplicates Z: 16 8.871 1.924 0.466 0.501 0.867 0.400 CB 0.936 16 residues pruned to eliminate duplicates Z: 77 46.069 2.062 0.805 0.637 0.934 0.671 CB 1.336 77 residues pruned to eliminate duplicates Z: 14 12.067 1.954 0.467 0.582 1.000 0.462 CB 1.079 14 residues pruned to eliminate duplicates Z: 7 6.186 1.904 0.703 0.629 0.667 0.500 CB 1.035 7 residues pruned to eliminate duplicates Z: 15 6.852 1.917 0.473 0.545 0.786 0.571 CB 0.790 15 residues pruned to eliminate duplicates Z: 16 9.988 1.844 0.600 0.367 0.867 0.267 CB 1.163 16 residues pruned to eliminate duplicates Z: 13 9.626 1.967 0.333 0.520 1.000 0.417 CB 1.039 13 residues pruned to eliminate duplicates Z: 13 6.227 1.848 0.440 0.334 0.917 0.417 CB 0.883 13 residues pruned to eliminate duplicates Z: 53 28.104 2.015 0.557 0.507 0.942 0.615 CB 1.308 53 residues pruned to eliminate duplicates Z: 47 27.450 2.000 0.576 0.513 0.913 0.630 CB 1.388 47 residues pruned to eliminate duplicates Z: 47 29.502 1.976 0.647 0.539 0.935 0.609 CB 1.376 47 residues pruned to eliminate duplicates Z: 45 32.788 2.061 0.678 0.573 0.955 0.568 CB 1.396 45 residues pruned to eliminate duplicates Z: 43 32.014 2.063 0.691 0.579 0.905 0.714 CB 1.451 43 residues pruned to eliminate duplicates Z: 46 27.954 2.019 0.692 0.497 0.911 0.600 CB 1.342 46 residues pruned to eliminate duplicates Z: 42 25.240 2.016 0.603 0.492 0.854 0.610 CB 1.440 42 residues pruned to eliminate duplicates Z: 41 25.813 1.987 0.544 0.572 0.875 0.650 CB 1.419 41 residues pruned to eliminate duplicates Z: 37 25.859 2.030 0.456 0.555 0.972 0.750 CB 1.421 37 residues pruned to eliminate duplicates Z: 44 26.949 1.957 0.577 0.561 0.930 0.721 CB 1.350 44 residues pruned to eliminate duplicates Z: 42 26.861 1.990 0.611 0.517 0.902 0.732 CB 1.425 42 residues pruned to eliminate duplicates Z: 46 27.596 2.010 0.580 0.529 0.933 0.733 CB 1.348 46 residues pruned to eliminate duplicates Z: 47 30.054 2.040 0.636 0.529 0.957 0.587 CB 1.348 47 residues pruned to eliminate duplicates Z: 30 17.664 1.961 0.410 0.469 0.828 0.621 CB 1.479 30 residues pruned to eliminate duplicates Z: 41 28.325 2.014 0.603 0.547 0.900 0.625 CB 1.472 41 residues pruned to eliminate duplicates Z: 43 31.030 2.000 0.632 0.551 0.952 0.762 CB 1.466 43 residues pruned to eliminate duplicates Z: 39 28.064 2.077 0.631 0.566 0.868 0.579 CB 1.452 39 residues pruned to eliminate duplicates Z: 38 28.804 2.062 0.684 0.532 0.919 0.649 CB 1.438 38 residues pruned to eliminate duplicates Z: 39 30.415 2.054 0.699 0.542 0.895 0.684 CA 1.516 39 residues pruned to eliminate duplicates Z: 40 26.220 1.999 0.558 0.502 0.923 0.692 CB 1.457 40 residues pruned to eliminate duplicates Z: 59 36.914 2.063 0.808 0.466 0.879 0.552 CB 1.530 59 residues pruned to eliminate duplicates Z: 39 26.029 2.055 0.544 0.530 0.868 0.632 CB 1.489 39 residues pruned to eliminate duplicates Z: 36 27.703 2.059 0.582 0.495 0.914 0.600 CA 1.581 36 residues pruned to eliminate duplicates Z: 43 28.849 1.997 0.620 0.517 0.905 0.571 CB 1.495 43 residues pruned to eliminate duplicates Z: 78 43.209 2.036 0.766 0.589 0.922 0.649 CB 1.363 78 residues pruned to eliminate duplicates Z: 71 41.456 2.012 0.786 0.592 0.929 0.600 CB 1.360 71 residues pruned to eliminate duplicates Z: 42 27.502 2.007 0.767 0.476 0.854 0.683 CB 1.453 42 residues pruned to eliminate duplicates Z: 41 31.881 1.997 0.728 0.551 0.950 0.700 CB 1.463 41 residues pruned to eliminate duplicates Z: 42 31.492 1.991 0.741 0.538 0.951 0.634 CB 1.437 42 residues pruned to eliminate duplicates Z: 48 32.121 2.048 0.739 0.502 0.936 0.638 CB 1.402 48 residues pruned to eliminate duplicates Z: 37 33.133 2.080 0.758 0.588 0.944 0.722 CB 1.470 37 residues pruned to eliminate duplicates Z: 43 29.024 1.978 0.727 0.512 0.881 0.643 CB 1.470 43 residues pruned to eliminate duplicates Z: 36 26.294 1.995 0.723 0.515 0.886 0.600 CB 1.438 36 residues pruned to eliminate duplicates Z: 47 29.975 2.012 0.821 0.510 0.913 0.696 CB 1.308 47 residues pruned to eliminate duplicates Z: 31 29.336 2.086 0.812 0.571 0.900 0.667 CB 1.470 31 residues pruned to eliminate duplicates Z: 37 30.911 2.061 0.687 0.569 0.944 0.778 CB 1.469 37 residues pruned to eliminate duplicates Z: 39 26.673 2.007 0.765 0.503 0.921 0.658 CB 1.323 39 residues pruned to eliminate duplicates Z: 48 31.855 2.034 0.772 0.561 0.915 0.596 CB 1.328 48 residues pruned to eliminate duplicates Z: 37 34.005 2.074 0.743 0.592 0.972 0.694 CB 1.477 37 residues pruned to eliminate duplicates Z: 41 33.679 2.014 0.748 0.566 0.975 0.675 CB 1.456 41 residues pruned to eliminate duplicates Z: 40 30.536 2.055 0.697 0.536 0.897 0.692 CA 1.508 40 residues pruned to eliminate duplicates Z: 48 31.132 2.020 0.773 0.488 0.894 0.638 CB 1.437 48 residues pruned to eliminate duplicates Z: 44 25.499 2.020 0.580 0.470 0.907 0.651 CB 1.385 44 residues pruned to eliminate duplicates Z: 85 44.178 2.052 0.831 0.474 0.881 0.631 CB 1.495 85 residues pruned to eliminate duplicates Z: 46 38.276 2.073 0.876 0.457 0.933 0.467 CB 1.643 46 residues pruned to eliminate duplicates Z: 9 16.490 1.864 1.040 0.613 1.000 0.375 CA 1.377 9 residues pruned to eliminate duplicates Z: 42 36.513 2.069 0.941 0.500 0.902 0.585 CB 1.574 42 residues pruned to eliminate duplicates Z: 80 40.106 2.055 0.814 0.450 0.886 0.608 CB 1.437 80 residues pruned to eliminate duplicates Z: 44 37.042 2.084 0.964 0.463 0.930 0.535 CB 1.541 44 residues pruned to eliminate duplicates Z: 43 34.440 2.066 0.840 0.507 0.857 0.571 CB 1.620 43 residues pruned to eliminate duplicates Z: 41 31.573 2.080 0.665 0.497 0.875 0.650 CB 1.653 41 residues pruned to eliminate duplicates Z: 21 17.472 2.040 0.854 0.318 0.850 0.400 CA 1.485 21 residues pruned to eliminate duplicates Z: 83 44.829 2.053 0.909 0.464 0.878 0.585 CB 1.492 83 residues pruned to eliminate duplicates Z: 42 39.065 2.099 1.043 0.491 0.902 0.561 CB 1.591 41 residues pruned to eliminate duplicates Z: 6 3.553 1.279 0.463 0.391 1.000 1.000 CA 0.953 6 residues pruned to eliminate duplicates Z: 43 37.822 2.106 0.950 0.479 0.952 0.524 CB 1.524 44 residues pruned to eliminate duplicates 6 1.719 1.456 0.660 0.100 0.600 0.400 N 0.883 ? Z: 15 25.254 2.012 0.873 0.730 0.929 0.857 CA 1.568 15 residues pruned to eliminate duplicates Z: 42 35.830 2.084 0.826 0.451 0.927 0.585 CB 1.668 42 residues pruned to eliminate duplicates Z: 30 33.241 2.130 0.960 0.489 0.931 0.621 CA 1.606 30 residues pruned to eliminate duplicates Z: 41 32.914 2.112 0.828 0.436 0.925 0.550 CB 1.557 41 residues pruned to eliminate duplicates Z: 44 39.985 2.067 0.978 0.459 0.953 0.512 CB 1.631 44 residues pruned to eliminate duplicates Z: 44 37.041 2.103 0.892 0.445 0.930 0.535 CB 1.615 44 residues pruned to eliminate duplicates Z: 43 36.879 2.081 0.968 0.488 0.881 0.548 CB 1.596 43 residues pruned to eliminate duplicates Z: 42 41.163 2.099 0.999 0.473 0.951 0.463 CB 1.655 41 residues pruned to eliminate duplicates Z: 13 29.255 2.084 0.966 0.842 1.000 0.833 CA 1.537 13 residues pruned to eliminate duplicates Z: 41 38.909 2.064 0.908 0.495 0.975 0.500 CB 1.610 41 residues pruned to eliminate duplicates Z: 44 36.545 2.099 0.955 0.496 0.860 0.581 CB 1.585 44 residues pruned to eliminate duplicates Z: 43 36.966 2.076 0.954 0.469 0.905 0.452 CB 1.603 43 residues pruned to eliminate duplicates Z: 43 34.043 2.045 0.920 0.459 0.881 0.524 CB 1.583 43 residues pruned to eliminate duplicates Z: 84 52.744 2.073 0.912 0.499 0.952 0.602 CB 1.537 84 residues pruned to eliminate duplicates Z: 42 35.367 2.096 0.949 0.484 0.902 0.463 CB 1.523 42 residues pruned to eliminate duplicates Z: 41 39.203 2.136 1.123 0.500 0.875 0.525 CB 1.562 41 residues pruned to eliminate duplicates Z: 42 36.397 2.092 0.971 0.456 0.927 0.585 CB 1.556 42 residues pruned to eliminate duplicates Z: 6 4.777 1.552 0.923 0.306 0.800 0.600 O 1.111 6 residues pruned to eliminate duplicates Z: 41 40.471 2.074 1.015 0.527 0.925 0.600 CB 1.612 41 residues pruned to eliminate duplicates Z: 43 40.474 2.052 1.111 0.481 0.929 0.476 CB 1.582 43 residues pruned to eliminate duplicates Z: 43 35.642 2.087 1.013 0.462 0.857 0.548 CB 1.587 43 residues pruned to eliminate duplicates Z: 35 21.282 1.927 0.603 0.476 0.912 0.735 CB 1.328 Z: 15 13.049 1.985 0.523 0.538 0.857 0.643 CB 1.296 16 residues pruned to eliminate duplicates Z: 8 7.964 1.710 0.351 0.808 1.000 0.857 CB 0.996 6 residues pruned to eliminate duplicates Z: 16 15.935 1.767 0.641 0.639 0.933 0.533 CB 1.335 16 residues pruned to eliminate duplicates Z: 46 19.176 1.886 0.681 0.407 0.844 0.533 CB 1.176 36 residues pruned to eliminate duplicates Z: 16 16.104 1.887 0.636 0.618 0.933 0.600 CB 1.290 16 residues pruned to eliminate duplicates Z: 44 21.089 1.984 0.583 0.420 0.907 0.488 CB 1.228 44 residues pruned to eliminate duplicates Z: 10 11.235 1.888 0.373 0.628 1.000 0.556 CA 1.280 10 residues pruned to eliminate duplicates Z: 37 21.339 1.975 0.560 0.472 0.917 0.639 CB 1.295 37 residues pruned to eliminate duplicates Z: 41 22.719 2.010 0.556 0.468 0.900 0.575 CB 1.318 44 residues pruned to eliminate duplicates Z: 10 11.312 1.838 0.509 0.661 0.889 0.667 CA 1.317 10 residues pruned to eliminate duplicates Z: 30 22.131 1.982 0.605 0.440 0.931 0.586 CA 1.475 30 residues pruned to eliminate duplicates Z: 45 21.463 1.950 0.595 0.430 0.909 0.545 CB 1.231 46 residues pruned to eliminate duplicates Z: 6 3.139 1.457 0.790 0.425 0.600 0.200 N 0.971 6 residues pruned to eliminate duplicates Z: 37 27.534 2.014 0.785 0.479 0.944 0.611 CB 1.380 38 residues pruned to eliminate duplicates Z: 7 9.193 1.639 0.881 0.434 1.000 1.000 CA 1.303 7 residues pruned to eliminate duplicates Z: 84 38.126 1.960 0.663 0.535 0.964 0.627 CB 1.288 84 residues pruned to eliminate duplicates Z: 36 25.834 2.010 0.708 0.464 0.943 0.543 CB 1.399 36 residues pruned to eliminate duplicates Z: 37 22.576 1.973 0.598 0.466 0.917 0.639 CB 1.348 37 residues pruned to eliminate duplicates Z: 38 18.372 1.900 0.595 0.455 0.838 0.486 CB 1.246 38 residues pruned to eliminate duplicates Z: 32 19.302 1.921 0.667 0.406 0.871 0.548 CA 1.372 32 residues pruned to eliminate duplicates Z: 45 24.833 1.941 0.751 0.425 0.955 0.477 CB 1.248 41 residues pruned to eliminate duplicates Z: 9 9.386 1.753 0.482 0.628 1.000 0.750 CA 1.133 9 residues pruned to eliminate duplicates Z: 42 24.665 2.012 0.713 0.439 0.927 0.610 CB 1.284 44 residues pruned to eliminate duplicates Z: 7 7.138 1.837 0.471 0.771 1.000 0.333 CB 0.848 7 residues pruned to eliminate duplicates Z: 43 24.051 1.980 0.771 0.411 0.905 0.548 CB 1.284 43 residues pruned to eliminate duplicates Z: 52 22.904 1.915 0.660 0.422 0.922 0.529 CB 1.188 95 residues pruned to eliminate duplicates Z: 45 23.159 1.962 0.747 0.427 0.886 0.659 CB 1.240 Z: 7 6.728 1.844 0.640 0.868 1.000 0.500 CB 0.664 7 residues pruned to eliminate duplicates Z: 48 23.040 1.936 0.680 0.423 0.957 0.447 CB 1.169 53 residues pruned to eliminate duplicates Z: 11 7.410 1.706 0.525 0.587 0.900 0.300 CB 0.921 11 residues pruned to eliminate duplicates Z: 46 21.861 1.917 0.687 0.431 0.844 0.511 CB 1.281 44 residues pruned to eliminate duplicates Z: 13 20.588 1.926 0.587 0.838 1.000 0.583 CA 1.453 13 residues pruned to eliminate duplicates Z: 17 17.141 1.850 0.514 0.673 0.875 0.500 CB 1.491 17 residues pruned to eliminate duplicates Z: 15 20.114 1.844 0.740 0.687 1.000 0.429 CA 1.411 15 residues pruned to eliminate duplicates Z: 20 13.325 1.812 0.426 0.521 0.789 0.474 CB 1.468 20 residues pruned to eliminate duplicates Z: 40 27.348 1.986 0.410 0.702 0.949 0.744 CA 1.373 40 residues pruned to eliminate duplicates Z: 20 12.475 1.871 0.277 0.541 0.842 0.579 CB 1.366 20 residues pruned to eliminate duplicates Z: 16 11.673 1.815 0.268 0.680 0.933 0.600 CA 1.189 16 residues pruned to eliminate duplicates Z: 19 12.091 1.775 0.209 0.656 0.944 0.833 CA 1.217 19 residues pruned to eliminate duplicates Z: 18 15.336 1.854 0.597 0.626 0.824 0.647 CA 1.354 18 residues pruned to eliminate duplicates Z: 45 28.669 1.946 0.428 0.721 0.932 0.750 CA 1.367 45 residues pruned to eliminate duplicates Z: 19 13.674 1.849 0.385 0.589 0.833 0.611 CA 1.386 19 residues pruned to eliminate duplicates Z: 19 14.476 1.843 0.329 0.644 0.889 0.611 CA 1.370 19 residues pruned to eliminate duplicates Z: 24 12.955 1.799 0.609 0.455 0.870 0.739 CA 1.124 24 residues pruned to eliminate duplicates Z: 44 33.958 1.992 0.592 0.734 0.953 0.767 CA 1.388 44 residues pruned to eliminate duplicates Z: 83 37.260 1.967 0.558 0.604 0.927 0.671 CA 1.312 83 residues pruned to eliminate duplicates Z: 83 35.981 1.976 0.417 0.618 0.927 0.732 CA 1.370 83 residues pruned to eliminate duplicates Z: 45 31.281 1.992 0.547 0.709 0.955 0.795 CA 1.327 45 residues pruned to eliminate duplicates Z: 44 37.073 2.029 0.666 0.706 0.953 0.744 CA 1.454 44 residues pruned to eliminate duplicates Z: 31 32.217 2.027 0.600 0.688 0.933 0.700 CA 1.636 31 residues pruned to eliminate duplicates Z: 82 37.404 1.956 0.619 0.587 0.901 0.691 CB 1.340 82 residues pruned to eliminate duplicates Z: 27 26.152 2.000 0.535 0.801 0.923 0.846 CA 1.391 27 residues pruned to eliminate duplicates Z: 47 36.076 1.985 0.616 0.728 0.978 0.804 CA 1.381 47 residues pruned to eliminate duplicates Z: 26 32.640 2.064 0.660 0.829 1.000 0.760 CA 1.434 26 residues pruned to eliminate duplicates Z: 48 35.475 1.985 0.681 0.653 0.936 0.681 CB 1.437 48 residues pruned to eliminate duplicates Z: 63 39.420 2.033 0.603 0.647 0.935 0.694 CA 1.433 63 residues pruned to eliminate duplicates Z: 25 35.690 2.117 0.725 0.837 1.000 0.750 CA 1.492 25 residues pruned to eliminate duplicates Z: 63 36.149 2.021 0.622 0.626 0.903 0.694 CA 1.377 63 residues pruned to eliminate duplicates Z: 27 30.988 2.084 0.605 0.781 0.962 0.808 CA 1.475 27 residues pruned to eliminate duplicates Z: 32 35.037 2.099 0.736 0.722 0.968 0.710 CA 1.461 32 residues pruned to eliminate duplicates Z: 28 33.729 2.042 0.861 0.750 0.963 0.630 CA 1.419 28 residues pruned to eliminate duplicates Z: 45 35.601 1.998 0.667 0.723 0.955 0.773 CA 1.380 45 residues pruned to eliminate duplicates Z: 26 34.111 2.065 0.801 0.828 0.960 0.800 CA 1.439 26 residues pruned to eliminate duplicates Z: 26 31.203 2.071 0.803 0.809 0.920 0.720 CA 1.388 26 residues pruned to eliminate duplicates Z: 28 29.541 2.047 0.702 0.732 0.926 0.593 CA 1.431 28 residues pruned to eliminate duplicates Z: 42 27.915 1.982 0.677 0.581 0.902 0.634 CA 1.345 42 residues pruned to eliminate duplicates Z: 29 28.820 2.006 0.762 0.714 0.929 0.679 CA 1.368 29 residues pruned to eliminate duplicates Z: 65 34.247 1.985 0.537 0.615 0.953 0.656 CB 1.320 65 residues pruned to eliminate duplicates Z: 27 35.699 2.061 0.919 0.758 1.000 0.577 CB 1.408 27 residues pruned to eliminate duplicates Z: 63 36.963 1.992 0.659 0.627 0.919 0.677 CA 1.371 63 residues pruned to eliminate duplicates Z: 27 29.723 2.035 0.756 0.766 0.962 0.654 CA 1.340 27 residues pruned to eliminate duplicates Z: 34 36.310 2.045 0.814 0.670 0.970 0.606 CA 1.501 34 residues pruned to eliminate duplicates Z: 53 29.123 1.963 0.627 0.575 0.865 0.596 CB 1.359 53 residues pruned to eliminate duplicates Z: 67 34.739 1.979 0.601 0.595 0.894 0.652 CB 1.378 67 residues pruned to eliminate duplicates Z: 25 13.548 1.912 0.527 0.371 0.875 0.750 CB 1.242 25 residues pruned to eliminate duplicates Z: 63 39.408 2.015 0.651 0.647 0.935 0.742 CB 1.402 63 residues pruned to eliminate duplicates Z: 52 35.526 2.011 0.648 0.644 0.922 0.765 CA 1.424 52 residues pruned to eliminate duplicates Z: 83 43.890 1.983 0.649 0.631 0.951 0.732 CA 1.377 83 residues pruned to eliminate duplicates Z: 71 34.353 1.970 0.577 0.563 0.900 0.643 CB 1.381 71 residues pruned to eliminate duplicates Z: 65 37.545 2.014 0.710 0.600 0.922 0.641 CB 1.344 65 residues pruned to eliminate duplicates Z: 32 24.132 1.952 0.598 0.542 0.968 0.613 CA 1.378 32 residues pruned to eliminate duplicates Z: 8 3.495 1.547 0.603 0.203 0.857 0.429 CB 0.883 8 residues pruned to eliminate duplicates Z: 22 8.575 1.805 0.494 0.207 0.810 0.333 CB 1.213 22 residues pruned to eliminate duplicates Z: 20 12.215 1.923 0.453 0.391 0.895 0.474 CB 1.259 20 residues pruned to eliminate duplicates Z: 44 30.266 1.922 0.733 0.566 0.953 0.674 CA 1.364 44 residues pruned to eliminate duplicates Z: 19 16.149 1.961 0.735 0.408 0.889 0.556 CB 1.386 19 residues pruned to eliminate duplicates Z: 18 12.873 1.963 0.543 0.376 0.824 0.706 CB 1.429 18 residues pruned to eliminate duplicates Z: 26 17.588 1.935 0.491 0.516 0.960 0.680 CA 1.249 26 residues pruned to eliminate duplicates Z: 45 25.316 1.917 0.548 0.555 0.886 0.659 CA 1.376 45 residues pruned to eliminate duplicates Z: 39 21.046 1.915 0.445 0.574 0.895 0.658 CB 1.283 39 residues pruned to eliminate duplicates Z: 47 24.414 1.891 0.585 0.497 0.891 0.652 CA 1.352 47 residues pruned to eliminate duplicates Z: 44 26.996 1.922 0.598 0.565 0.953 0.698 CA 1.320 44 residues pruned to eliminate duplicates Z: 45 25.873 1.891 0.559 0.561 0.909 0.682 CB 1.372 45 residues pruned to eliminate duplicates Z: 14 14.476 1.781 0.416 0.883 1.000 1.000 CA 1.151 14 residues pruned to eliminate duplicates Z: 31 21.173 1.952 0.443 0.617 0.967 0.767 CA 1.271 31 residues pruned to eliminate duplicates Z: 44 25.213 1.933 0.531 0.547 0.907 0.744 CA 1.368 44 residues pruned to eliminate duplicates Z: 30 24.545 1.993 0.621 0.599 0.966 0.690 CA 1.330 30 residues pruned to eliminate duplicates Z: 44 27.301 1.921 0.683 0.597 0.884 0.651 CB 1.329 44 residues pruned to eliminate duplicates Z: 31 26.195 1.968 0.663 0.592 1.000 0.667 CB 1.339 31 residues pruned to eliminate duplicates Z: 15 15.757 1.849 0.713 0.722 0.929 0.571 CB 1.171 15 residues pruned to eliminate duplicates Z: 45 27.373 1.918 0.683 0.549 0.909 0.568 CB 1.341 45 residues pruned to eliminate duplicates Z: 45 27.752 1.898 0.730 0.535 0.909 0.636 CB 1.355 45 residues pruned to eliminate duplicates Z: 38 28.362 1.978 0.731 0.575 0.946 0.622 CB 1.339 38 residues pruned to eliminate duplicates Z: 44 31.571 1.938 0.741 0.583 0.953 0.767 CB 1.382 44 residues pruned to eliminate duplicates Z: 39 26.396 1.924 0.649 0.565 0.974 0.658 CB 1.302 39 residues pruned to eliminate duplicates Z: 44 29.307 1.951 0.714 0.532 0.930 0.674 CA 1.392 44 residues pruned to eliminate duplicates Z: 43 27.112 1.950 0.586 0.528 0.929 0.667 CA 1.416 43 residues pruned to eliminate duplicates Z: 60 32.408 1.974 0.724 0.494 0.932 0.559 CB 1.338 70 residues pruned to eliminate duplicates Z: 10 10.716 1.570 0.850 0.614 1.000 0.556 N 1.103 10 residues pruned to eliminate duplicates Z: 43 41.885 2.135 0.929 0.539 0.952 0.571 CB 1.587 43 residues pruned to eliminate duplicates Z: 41 36.438 2.072 0.809 0.541 0.950 0.550 CB 1.554 41 residues pruned to eliminate duplicates Z: 24 18.022 1.976 0.770 0.381 0.826 0.522 CB 1.476 24 residues pruned to eliminate duplicates Z: 42 35.486 2.050 0.848 0.568 0.878 0.537 CB 1.560 42 residues pruned to eliminate duplicates Z: 40 43.453 2.128 0.840 0.586 0.974 0.641 CB 1.680 40 residues pruned to eliminate duplicates Z: 41 37.503 2.135 0.813 0.554 0.925 0.550 CB 1.571 41 residues pruned to eliminate duplicates Z: 43 40.538 2.129 0.842 0.557 0.952 0.571 CB 1.584 43 residues pruned to eliminate duplicates Z: 42 36.098 2.099 0.745 0.541 0.951 0.585 CB 1.554 42 residues pruned to eliminate duplicates Z: 20 17.913 2.050 0.563 0.463 0.895 0.316 CB 1.490 20 residues pruned to eliminate duplicates Z: 40 38.607 2.150 0.820 0.523 0.923 0.538 CB 1.672 40 residues pruned to eliminate duplicates Z: 47 34.159 2.075 0.769 0.463 0.891 0.500 CB 1.598 47 residues pruned to eliminate duplicates Z: 43 35.032 2.100 0.846 0.541 0.905 0.571 CB 1.480 43 residues pruned to eliminate duplicates Z: 39 45.625 2.167 0.918 0.559 1.000 0.579 CB 1.680 39 residues pruned to eliminate duplicates Z: 45 39.612 2.098 0.868 0.522 0.955 0.568 CB 1.562 45 residues pruned to eliminate duplicates Z: 32 42.732 2.209 1.077 0.556 0.935 0.677 CB 1.694 32 residues pruned to eliminate duplicates Z: 93 39.920 1.941 0.731 0.455 0.891 0.598 CB 1.455 136 residues pruned to eliminate duplicates Z: 39 44.409 2.167 0.924 0.547 0.974 0.579 CB 1.696 39 residues pruned to eliminate duplicates Z: 41 41.019 2.159 0.897 0.526 0.975 0.525 CB 1.583 41 residues pruned to eliminate duplicates Z: 41 41.971 2.167 0.922 0.530 0.975 0.550 CB 1.586 41 residues pruned to eliminate duplicates Z: 26 37.609 2.124 0.967 0.644 0.960 0.720 CB 1.640 26 residues pruned to eliminate duplicates Z: 32 30.329 2.003 0.967 0.507 0.935 0.613 CB 1.468 32 residues pruned to eliminate duplicates Z: 44 37.617 2.079 0.840 0.519 0.930 0.512 CB 1.582 44 residues pruned to eliminate duplicates Z: 40 44.764 2.140 0.931 0.558 0.974 0.564 CB 1.682 40 residues pruned to eliminate duplicates Z: 41 44.491 2.173 0.971 0.552 0.975 0.525 CB 1.601 41 residues pruned to eliminate duplicates Z: 28 34.986 2.049 0.908 0.604 0.963 0.481 CB 1.620 28 residues pruned to eliminate duplicates Z: 24 38.177 2.213 1.051 0.641 0.913 0.565 CB 1.683 24 residues pruned to eliminate duplicates Z: 42 41.995 2.115 0.933 0.572 0.951 0.512 CB 1.573 42 residues pruned to eliminate duplicates Z: 44 38.148 2.107 0.987 0.538 0.860 0.581 CB 1.556 44 residues pruned to eliminate duplicates Z: 40 43.098 2.151 0.985 0.557 0.923 0.564 CB 1.657 40 residues pruned to eliminate duplicates Z: 41 44.230 2.160 0.980 0.556 0.950 0.625 CB 1.630 41 residues pruned to eliminate duplicates Z: 41 45.955 2.158 0.965 0.580 0.975 0.550 CB 1.628 41 residues pruned to eliminate duplicates Z: 40 48.141 2.148 1.074 0.553 1.000 0.641 CB 1.643 40 residues pruned to eliminate duplicates Z: 39 23.996 1.970 0.815 0.392 0.842 0.395 CB 1.450 39 residues pruned to eliminate duplicates Z: 15 16.230 1.912 0.818 0.494 0.857 0.500 CA 1.465 15 residues pruned to eliminate duplicates Z: 42 36.613 2.155 0.825 0.501 0.902 0.610 CB 1.609 42 residues pruned to eliminate duplicates Z: 41 41.819 2.106 0.971 0.541 0.950 0.625 CB 1.611 41 residues pruned to eliminate duplicates Z: 13 14.742 1.844 0.663 0.768 1.000 0.750 CB 1.094 Z: 13 16.278 1.863 0.651 0.849 1.000 0.833 CB 1.132 14 residues pruned to eliminate duplicates Z: 13 15.636 1.850 0.624 0.875 1.000 0.833 CB 1.093 13 residues pruned to eliminate duplicates Z: 24 18.289 1.958 0.710 0.503 0.913 0.783 CB 1.245 15 residues pruned to eliminate duplicates Z: 12 15.421 1.967 0.582 0.879 1.000 0.818 CB 1.084 12 residues pruned to eliminate duplicates Z: 23 15.933 1.949 0.534 0.461 0.955 0.636 CB 1.239 23 residues pruned to eliminate duplicates Z: 25 17.807 1.866 0.582 0.493 0.958 0.500 CB 1.294 46 residues pruned to eliminate duplicates Z: 22 15.005 1.897 0.559 0.548 0.810 0.571 CB 1.305 22 residues pruned to eliminate duplicates Z: 12 11.453 1.919 0.266 0.745 0.909 0.636 CA 1.256 Z: 13 7.786 1.795 0.025 0.791 0.917 0.583 CB 1.032 11 residues pruned to eliminate duplicates Z: 14 13.540 1.966 0.626 0.637 0.846 0.769 CB 1.221 13 residues pruned to eliminate duplicates Z: 13 12.016 1.462 0.700 0.828 1.000 0.750 CA 1.051 13 residues pruned to eliminate duplicates Z: 14 10.404 1.509 0.565 0.707 1.000 0.615 CA 1.013 13 residues pruned to eliminate duplicates Z: 10 8.923 1.603 0.352 0.848 0.889 0.778 CA 1.146 10 residues pruned to eliminate duplicates Z: 11 10.009 1.622 0.433 0.785 0.900 0.700 CA 1.178 11 residues pruned to eliminate duplicates Z: 13 9.804 1.338 0.656 0.816 0.917 0.667 CA 1.059 13 residues pruned to eliminate duplicates Z: 14 13.883 1.585 0.693 0.752 1.000 0.846 CA 1.147 13 residues pruned to eliminate duplicates Z: 11 10.972 1.597 0.553 0.835 0.900 0.700 CB 1.165 11 residues pruned to eliminate duplicates Z: 17 9.980 1.572 0.459 0.613 0.875 0.750 CB 1.117 15 residues pruned to eliminate duplicates Z: 6 3.125 1.621 0.423 0.350 1.000 0.400 CB 0.713 6 residues pruned to eliminate duplicates Z: 15 16.930 1.974 0.609 0.596 1.000 0.571 CB 1.301 15 residues pruned to eliminate duplicates Z: 54 29.438 1.954 0.608 0.592 0.925 0.698 CB 1.275 54 residues pruned to eliminate duplicates Z: 29 28.108 2.066 0.591 0.712 0.964 0.786 CB 1.383 29 residues pruned to eliminate duplicates Z: 14 13.015 1.956 0.624 0.494 1.000 0.615 CB 1.143 14 residues pruned to eliminate duplicates Z: 28 20.184 1.958 0.602 0.590 0.889 0.667 CB 1.278 28 residues pruned to eliminate duplicates Z: 29 24.120 2.026 0.546 0.683 0.929 0.750 CB 1.325 29 residues pruned to eliminate duplicates Z: 35 16.005 1.809 0.610 0.526 0.912 0.500 CB 1.007 35 residues pruned to eliminate duplicates Z: 29 28.349 2.045 0.715 0.686 0.964 0.714 CB 1.336 29 residues pruned to eliminate duplicates Z: 47 23.081 1.795 0.628 0.540 0.848 0.500 CA 1.321 47 residues pruned to eliminate duplicates Z: 30 28.684 2.032 0.742 0.687 0.966 0.690 CB 1.313 30 residues pruned to eliminate duplicates Z: 29 29.077 2.056 0.931 0.695 0.893 0.714 CB 1.298 29 residues pruned to eliminate duplicates Z: 31 29.786 2.018 0.712 0.671 0.933 0.700 CB 1.440 31 residues pruned to eliminate duplicates Z: 27 31.112 2.089 0.750 0.753 0.962 0.769 CB 1.386 27 residues pruned to eliminate duplicates Z: 29 31.306 2.055 0.785 0.706 0.964 0.679 CB 1.387 29 residues pruned to eliminate duplicates Z: 28 31.919 2.075 0.763 0.732 0.926 0.778 CB 1.471 28 residues pruned to eliminate duplicates Z: 29 29.694 2.016 0.793 0.713 0.964 0.750 CB 1.328 29 residues pruned to eliminate duplicates Z: 29 28.502 2.048 0.694 0.700 0.964 0.750 CB 1.342 29 residues pruned to eliminate duplicates Z: 27 29.451 2.090 0.863 0.747 0.885 0.692 CB 1.344 27 residues pruned to eliminate duplicates Z: 28 30.655 2.087 0.810 0.710 0.926 0.556 CB 1.394 28 residues pruned to eliminate duplicates Z: 39 26.608 1.908 0.652 0.635 0.895 0.632 CB 1.349 39 residues pruned to eliminate duplicates Z: 28 27.450 2.048 0.701 0.719 0.926 0.630 CB 1.344 28 residues pruned to eliminate duplicates Z: 29 27.143 2.018 0.656 0.737 0.964 0.643 CB 1.286 29 residues pruned to eliminate duplicates Z: 37 26.909 1.988 0.708 0.695 0.861 0.639 CB 1.283 37 residues pruned to eliminate duplicates Z: 81 43.218 2.016 0.686 0.644 0.938 0.637 CB 1.326 81 residues pruned to eliminate duplicates Z: 79 44.387 2.038 0.698 0.631 0.936 0.692 CB 1.372 79 residues pruned to eliminate duplicates Z: 78 44.894 2.037 0.724 0.643 0.922 0.688 CB 1.382 78 residues pruned to eliminate duplicates Z: 82 43.245 2.015 0.631 0.631 0.975 0.704 CB 1.325 82 residues pruned to eliminate duplicates Z: 44 28.722 1.942 0.642 0.653 0.977 0.721 CB 1.220 44 residues pruned to eliminate duplicates Z: 81 45.769 2.033 0.764 0.634 0.938 0.675 CB 1.343 81 residues pruned to eliminate duplicates Z: 35 30.871 2.031 0.810 0.690 0.971 0.647 CB 1.247 35 residues pruned to eliminate duplicates Z: 81 44.577 2.032 0.750 0.612 0.963 0.688 CB 1.309 81 residues pruned to eliminate duplicates Z: 6 5.508 1.562 0.519 0.454 1.000 0.200 N 1.089 Z: 8 4.349 1.220 0.453 0.577 1.000 0.714 CA 0.861 5 residues pruned to eliminate duplicates Z: 7 2.679 1.516 0.446 0.471 0.667 0.500 CA 0.771 7 residues pruned to eliminate duplicates Z: 45 32.979 2.039 0.738 0.586 0.932 0.727 CB 1.386 54 residues pruned to eliminate duplicates Z: 44 32.823 2.042 0.681 0.601 0.953 0.651 CB 1.389 44 residues pruned to eliminate duplicates Z: 7 8.683 1.899 0.617 0.487 0.833 0.500 CB 1.403 7 residues pruned to eliminate duplicates Z: 45 33.430 2.035 0.659 0.579 0.977 0.636 CB 1.416 45 residues pruned to eliminate duplicates Z: 17 22.177 1.983 0.604 0.802 1.000 0.688 CA 1.338 17 residues pruned to eliminate duplicates Z: 40 29.020 2.041 0.727 0.580 0.897 0.641 CB 1.361 40 residues pruned to eliminate duplicates Z: 44 32.227 2.033 0.683 0.580 0.953 0.651 CB 1.395 44 residues pruned to eliminate duplicates Z: 45 27.793 2.019 0.601 0.554 0.909 0.636 CB 1.354 45 residues pruned to eliminate duplicates Z: 78 43.785 2.003 0.885 0.605 0.935 0.675 CB 1.279 78 residues pruned to eliminate duplicates Z: 47 34.633 2.041 0.764 0.590 0.935 0.717 CB 1.393 47 residues pruned to eliminate duplicates Z: 13 19.918 1.981 0.808 0.870 0.917 0.750 CB 1.278 13 residues pruned to eliminate duplicates Z: 46 34.831 2.033 0.813 0.552 0.956 0.600 CB 1.401 46 residues pruned to eliminate duplicates Z: 45 31.827 2.029 0.738 0.565 0.932 0.636 CB 1.371 45 residues pruned to eliminate duplicates Z: 35 29.207 2.055 0.654 0.546 1.000 0.676 CB 1.410 35 residues pruned to eliminate duplicates Z: 44 34.454 2.046 0.754 0.609 0.953 0.698 CB 1.385 44 residues pruned to eliminate duplicates Z: 15 25.754 1.907 0.953 0.827 1.000 0.643 CA 1.392 15 residues pruned to eliminate duplicates Z: 47 34.473 2.040 0.779 0.586 0.935 0.609 CB 1.380 47 residues pruned to eliminate duplicates Z: 45 31.411 2.013 0.819 0.555 0.932 0.636 CB 1.316 45 residues pruned to eliminate duplicates Z: 46 32.456 1.970 0.817 0.558 0.978 0.711 CB 1.306 46 residues pruned to eliminate duplicates Z: 6 3.626 1.373 0.977 0.528 1.000 0.400 CA 0.581 6 residues pruned to eliminate duplicates Z: 48 30.236 2.003 0.673 0.508 0.957 0.681 CB 1.364 48 residues pruned to eliminate duplicates Z: 47 31.877 2.011 0.726 0.574 0.935 0.696 CB 1.349 47 residues pruned to eliminate duplicates Z: 38 34.194 2.043 0.871 0.595 0.919 0.676 CB 1.462 38 residues pruned to eliminate duplicates Z: 81 42.533 2.015 0.748 0.588 0.963 0.637 CB 1.289 81 residues pruned to eliminate duplicates Z: 44 32.694 2.013 0.802 0.596 0.930 0.558 CB 1.348 44 residues pruned to eliminate duplicates Z: 37 19.485 1.917 0.585 0.457 0.833 0.528 CB 1.340 37 residues pruned to eliminate duplicates Z: 37 21.684 1.936 0.565 0.438 0.917 0.500 CB 1.388 37 residues pruned to eliminate duplicates Z: 31 17.267 1.893 0.506 0.372 0.933 0.633 CB 1.360 31 residues pruned to eliminate duplicates Z: 38 20.915 1.916 0.580 0.469 0.919 0.703 CB 1.276 38 residues pruned to eliminate duplicates Z: 41 21.179 1.950 0.535 0.415 0.975 0.575 CB 1.254 41 residues pruned to eliminate duplicates Z: 37 18.248 1.927 0.453 0.403 0.944 0.583 CB 1.274 37 residues pruned to eliminate duplicates Z: 38 18.152 1.915 0.572 0.362 0.892 0.730 CB 1.290 38 residues pruned to eliminate duplicates Z: 35 21.045 1.941 0.595 0.428 0.941 0.588 CB 1.334 35 residues pruned to eliminate duplicates Z: 38 19.569 1.898 0.426 0.472 0.946 0.541 CB 1.293 38 residues pruned to eliminate duplicates Z: 42 18.898 1.907 0.382 0.424 0.976 0.561 CB 1.243 42 residues pruned to eliminate duplicates Z: 36 21.472 1.922 0.555 0.473 1.000 0.600 CB 1.248 36 residues pruned to eliminate duplicates Z: 42 17.649 1.892 0.470 0.391 0.902 0.537 CB 1.232 42 residues pruned to eliminate duplicates Z: 39 17.747 1.884 0.566 0.422 0.895 0.474 CB 1.183 39 residues pruned to eliminate duplicates Z: 39 21.704 1.920 0.656 0.425 0.947 0.500 CB 1.263 39 residues pruned to eliminate duplicates Z: 38 19.127 1.886 0.557 0.454 0.946 0.486 CB 1.187 38 residues pruned to eliminate duplicates Z: 42 21.083 1.917 0.505 0.456 0.951 0.585 CB 1.255 42 residues pruned to eliminate duplicates Z: 39 19.601 1.877 0.445 0.457 0.921 0.553 CB 1.331 37 residues pruned to eliminate duplicates Z: 6 7.194 1.713 0.607 0.391 1.000 0.400 CA 1.311 6 residues pruned to eliminate duplicates Z: 40 20.523 1.933 0.663 0.427 0.872 0.590 CB 1.265 40 residues pruned to eliminate duplicates Z: 37 21.164 1.925 0.592 0.462 0.889 0.611 CB 1.346 37 residues pruned to eliminate duplicates Z: 37 22.173 1.928 0.629 0.447 0.944 0.639 CB 1.315 37 residues pruned to eliminate duplicates Z: 41 19.083 1.934 0.596 0.393 0.875 0.550 CB 1.251 41 residues pruned to eliminate duplicates Z: 39 21.351 1.932 0.736 0.385 0.947 0.658 CB 1.232 39 residues pruned to eliminate duplicates Z: 16 11.700 1.845 0.436 0.611 0.800 0.600 CB 1.284 16 residues pruned to eliminate duplicates Z: 40 18.616 1.899 0.575 0.429 0.897 0.564 CB 1.195 40 residues pruned to eliminate duplicates Z: 38 18.804 1.891 0.591 0.441 0.919 0.622 CB 1.189 38 residues pruned to eliminate duplicates Z: 42 19.070 1.914 0.592 0.424 0.902 0.561 CB 1.172 42 residues pruned to eliminate duplicates Z: 37 20.629 1.909 0.652 0.439 0.889 0.500 CB 1.306 37 residues pruned to eliminate duplicates Z: 33 20.676 1.898 0.722 0.470 0.906 0.562 CB 1.272 33 residues pruned to eliminate duplicates Z: 39 19.062 1.925 0.652 0.395 0.921 0.500 CB 1.180 39 residues pruned to eliminate duplicates Z: 21 8.501 1.833 0.469 0.425 0.750 0.550 CB 1.019 21 residues pruned to eliminate duplicates Z: 46 19.792 1.856 0.641 0.431 0.889 0.533 CB 1.171 92 residues pruned to eliminate duplicates Z: 40 20.001 1.884 0.573 0.452 0.923 0.692 CB 1.229 Z: 12 19.391 1.842 0.828 0.881 1.000 0.727 CB 1.257 12 residues pruned to eliminate duplicates Z: 26 20.246 1.845 0.692 0.638 0.920 0.680 CB 1.238 24 residues pruned to eliminate duplicates Z: 10 17.323 1.893 0.880 0.901 1.000 0.778 CB 1.158 10 residues pruned to eliminate duplicates Z: 39 19.577 1.779 0.783 0.520 0.868 0.421 CB 1.131 45 residues pruned to eliminate duplicates Z: 12 21.587 1.893 1.125 0.909 1.000 0.909 CB 1.148 12 residues pruned to eliminate duplicates Z: 20 14.632 1.777 0.947 0.578 0.895 0.632 CB 1.006 20 residues pruned to eliminate duplicates Z: 29 16.872 1.811 0.736 0.548 0.893 0.500 CB 1.084 29 residues pruned to eliminate duplicates Z: 23 24.064 1.928 0.970 0.633 0.955 0.591 CB 1.249 23 residues pruned to eliminate duplicates Z: 25 22.740 1.875 0.974 0.647 0.958 0.500 CB 1.141 25 residues pruned to eliminate duplicates Z: 36 24.066 1.830 0.828 0.643 0.886 0.600 CB 1.202 37 residues pruned to eliminate duplicates Z: 13 22.049 1.923 1.176 0.783 0.917 0.833 CB 1.294 13 residues pruned to eliminate duplicates Z: 41 21.444 1.778 0.805 0.516 0.900 0.600 CB 1.156 38 residues pruned to eliminate duplicates Z: 14 11.545 1.734 0.776 0.612 0.846 0.538 CB 1.105 14 residues pruned to eliminate duplicates Z: 11 12.460 1.879 0.694 0.481 0.900 0.500 CA 1.402 11 residues pruned to eliminate duplicates Z: 12 14.517 1.872 0.683 0.522 1.000 0.636 CB 1.359 12 residues pruned to eliminate duplicates Z: 12 13.176 1.795 0.888 0.475 0.909 0.455 CA 1.323 12 residues pruned to eliminate duplicates Z: 31 20.908 1.800 0.636 0.515 0.933 0.600 CA 1.368 31 residues pruned to eliminate duplicates Z: 12 6.393 1.772 0.274 0.377 0.818 0.545 CB 1.190 12 residues pruned to eliminate duplicates Z: 19 9.323 1.718 0.467 0.514 0.778 0.389 CB 1.106 19 residues pruned to eliminate duplicates Z: 25 11.241 1.627 0.619 0.467 0.792 0.542 CB 1.138 25 residues pruned to eliminate duplicates Z: 23 10.164 1.677 0.350 0.441 0.909 0.500 CB 1.119 23 residues pruned to eliminate duplicates Z: 16 9.682 1.600 0.509 0.587 0.867 0.600 CB 1.100 16 residues pruned to eliminate duplicates Z: 16 11.378 1.673 0.416 0.596 0.867 0.533 CB 1.306 16 residues pruned to eliminate duplicates Z: 10 6.806 1.697 0.473 0.780 0.778 0.444 CB 0.912 10 residues pruned to eliminate duplicates Z: 16 12.668 1.641 0.544 0.672 0.933 0.467 CB 1.180 15 residues pruned to eliminate duplicates Z: 8 10.799 1.640 0.439 0.877 1.000 0.571 CA 1.256 8 residues pruned to eliminate duplicates Z: 16 13.145 1.636 0.392 0.673 0.933 0.600 CB 1.362 17 residues pruned to eliminate duplicates Z: 12 9.007 1.550 0.296 0.777 1.000 0.818 CA 1.059 12 residues pruned to eliminate duplicates Z: 13 12.470 1.708 0.346 0.793 1.000 0.500 CB 1.210 13 residues pruned to eliminate duplicates Z: 14 13.112 1.476 0.598 0.811 0.923 0.692 N 1.274 14 residues pruned to eliminate duplicates Z: 16 10.647 1.608 0.419 0.646 0.933 0.667 CB 1.126 16 residues pruned to eliminate duplicates Z: 15 10.730 1.628 0.408 0.701 0.929 0.429 CB 1.122 15 residues pruned to eliminate duplicates Z: 15 10.417 1.652 0.391 0.703 0.929 0.571 CB 1.085 15 residues pruned to eliminate duplicates 1174 residues left after pruning, divided into chains as follows: A: 6 B: 8 C: 39 D: 14 E: 36 F: 77 G: 6 H: 16 I: 23 J: 39 K: 126 L: 174 M: 43 N: 39 O: 146 P: 129 Q: 15 R: 12 S: 138 T: 36 U: 52 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 39.28 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.515, Connect. = 0.747 for dens.mod. cycle 1 = 0.300, Contrast = 0.604, Connect. = 0.773 for dens.mod. cycle 2 = 0.300, Contrast = 0.733, Connect. = 0.795 for dens.mod. cycle 3 = 0.300, Contrast = 0.754, Connect. = 0.796 for dens.mod. cycle 4 = 0.300, Contrast = 0.771, Connect. = 0.798 for dens.mod. cycle 5 = 0.300, Contrast = 0.777, Connect. = 0.799 for dens.mod. cycle 6 = 0.300, Contrast = 0.783, Connect. = 0.800 for dens.mod. cycle 7 = 0.300, Contrast = 0.785, Connect. = 0.801 for dens.mod. cycle 8 = 0.300, Contrast = 0.787, Connect. = 0.802 for dens.mod. cycle 9 = 0.300, Contrast = 0.787, Connect. = 0.802 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6013 peaks > 0.5 sigma used to seed fragment search Space for about 2008 unique residues taking solvent into account 1417 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 26.638 1.990 1.081 0.832 0.923 0.692 CB 1.450 B: 14 30.744 2.024 1.069 0.848 1.000 0.923 CA 1.510 C: 13 23.122 1.941 0.681 0.838 1.000 0.917 CA 1.529 14 residues pruned to eliminate duplicates D: 12 17.117 1.994 0.455 0.855 1.000 0.909 CA 1.313 E: 11 27.959 2.120 0.893 0.831 1.000 1.000 CA 1.655 10 residues pruned to eliminate duplicates F: 41 37.290 2.087 0.906 0.579 0.925 0.650 CB 1.486 14 residues pruned to eliminate duplicates G: 24 29.489 2.045 0.587 0.843 1.000 0.696 CA 1.411 H: 14 25.561 2.029 0.948 0.828 0.923 0.462 CA 1.464 14 residues pruned to eliminate duplicates I: 13 15.357 1.676 0.644 0.895 1.000 0.917 CB 1.154 J: 11 13.596 1.964 0.669 0.901 1.000 0.800 CB 0.936 K: 6 6.833 1.719 0.384 0.783 1.000 1.000 CA 1.001 L: 10 14.980 1.899 0.420 0.908 1.000 0.778 CB 1.315 10 residues pruned to eliminate duplicates M: 13 26.797 2.100 1.010 0.826 0.917 0.750 CB 1.509 13 residues pruned to eliminate duplicates N: 14 22.826 1.994 0.793 0.857 1.000 1.000 CA 1.305 14 residues pruned to eliminate duplicates O: 12 19.123 1.936 0.713 0.757 1.000 0.636 CA 1.383 12 residues pruned to eliminate duplicates P: 43 24.470 1.861 0.638 0.561 0.905 0.571 CB 1.290 Q: 11 20.765 2.029 0.945 0.901 1.000 0.900 CB 1.187 11 residues pruned to eliminate duplicates R: 13 31.352 2.130 1.393 0.832 0.917 0.750 CA 1.454 S: 23 27.696 2.057 0.616 0.852 0.955 0.773 CA 1.376 T: 14 24.464 1.971 0.846 0.901 1.000 1.000 CA 1.331 14 residues pruned to eliminate duplicates U: 36 15.030 1.819 0.496 0.395 0.886 0.514 CB 1.178 V: 14 24.012 2.069 1.153 0.819 1.000 0.692 CA 1.134 14 residues pruned to eliminate duplicates W: 38 27.683 1.984 0.746 0.675 0.892 0.649 CB 1.254 X: 13 15.405 1.977 0.361 0.906 1.000 0.917 CA 1.175 13 residues pruned to eliminate duplicates Y: 13 28.215 2.056 1.160 0.893 1.000 0.917 CB 1.317 Z: 14 14.787 1.707 0.538 0.859 0.923 0.846 CA 1.245 Z: 13 27.246 2.154 0.897 0.872 1.000 0.917 CA 1.403 14 residues pruned to eliminate duplicates Z: 42 36.154 2.097 0.966 0.514 0.927 0.415 CB 1.457 12 residues pruned to eliminate duplicates Z: 13 23.365 1.949 0.855 0.809 1.000 0.750 CA 1.426 Z: 12 29.032 2.040 1.307 0.902 1.000 0.909 CA 1.326 Z: 6 12.507 1.992 0.777 0.739 0.800 0.600 CA 1.595 Z: 14 21.146 1.952 0.706 0.861 1.000 0.769 CA 1.294 12 residues pruned to eliminate duplicates Z: 12 20.548 2.010 0.866 0.831 0.909 0.818 CB 1.365 12 residues pruned to eliminate duplicates Z: 12 15.652 1.884 0.910 0.929 1.000 0.818 CB 0.918 Z: 14 19.050 1.944 0.600 0.855 1.000 0.846 CA 1.254 14 residues pruned to eliminate duplicates Z: 12 20.637 1.846 0.753 0.908 1.000 0.818 CB 1.365 Z: 12 21.344 2.145 0.509 0.879 1.000 0.818 CA 1.442 12 residues pruned to eliminate duplicates Z: 13 29.709 2.156 1.033 0.864 1.000 0.750 CA 1.434 13 residues pruned to eliminate duplicates Z: 12 26.011 2.085 1.075 0.911 1.000 1.000 CA 1.285 12 residues pruned to eliminate duplicates Z: 12 27.745 2.209 0.961 0.931 1.000 1.000 CA 1.349 12 residues pruned to eliminate duplicates Z: 40 41.428 2.139 1.004 0.500 0.974 0.462 CB 1.589 14 residues pruned to eliminate duplicates Z: 11 12.423 1.841 0.283 0.872 1.000 0.900 CB 1.212 11 residues pruned to eliminate duplicates Z: 22 35.412 2.066 0.875 0.896 1.000 0.619 CB 1.429 22 residues pruned to eliminate duplicates Z: 14 21.082 1.950 0.788 0.849 1.000 0.846 CA 1.243 14 residues pruned to eliminate duplicates Z: 22 32.557 2.031 0.743 0.873 1.000 0.667 CA 1.462 24 residues pruned to eliminate duplicates Z: 13 27.414 2.064 0.849 0.907 1.000 1.000 CA 1.474 13 residues pruned to eliminate duplicates Z: 13 25.382 2.060 0.895 0.846 1.000 0.833 CA 1.395 13 residues pruned to eliminate duplicates Z: 12 21.461 1.917 1.007 0.857 1.000 0.818 CB 1.239 11 residues pruned to eliminate duplicates Z: 37 27.868 1.911 0.679 0.696 0.972 0.639 CB 1.245 Z: 13 15.015 1.827 0.677 0.823 0.917 0.583 CB 1.166 13 residues pruned to eliminate duplicates Z: 7 8.507 1.825 0.404 0.751 0.833 0.500 CB 1.300 6 residues pruned to eliminate duplicates Z: 24 37.098 2.051 0.985 0.897 1.000 0.609 CA 1.360 Z: 11 16.456 2.023 0.803 0.861 1.000 0.700 CB 1.048 11 residues pruned to eliminate duplicates Z: 11 27.506 2.115 1.033 0.938 1.000 1.000 CA 1.407 11 residues pruned to eliminate duplicates Z: 13 20.529 1.927 0.941 0.904 1.000 0.750 CB 1.128 Z: 11 26.379 2.097 1.095 0.853 1.000 0.800 CA 1.402 11 residues pruned to eliminate duplicates Z: 13 25.913 2.172 1.105 0.839 1.000 0.833 CA 1.222 13 residues pruned to eliminate duplicates Z: 12 23.089 2.013 1.263 0.909 1.000 0.909 CB 1.085 Z: 35 29.216 1.985 0.682 0.615 0.941 0.765 CA 1.429 14 residues pruned to eliminate duplicates Z: 14 20.326 2.052 0.374 0.796 1.000 0.769 CA 1.543 14 residues pruned to eliminate duplicates Z: 10 19.030 2.144 1.008 0.915 1.000 0.889 CB 1.042 10 residues pruned to eliminate duplicates Z: 13 25.264 1.870 1.216 0.887 1.000 0.917 CB 1.269 12 residues pruned to eliminate duplicates Z: 13 26.036 2.040 0.900 0.798 1.000 0.583 CA 1.493 13 residues pruned to eliminate duplicates Z: 14 24.521 2.038 0.925 0.766 1.000 0.769 CA 1.369 14 residues pruned to eliminate duplicates Z: 7 15.306 1.753 0.944 0.822 1.000 0.500 CA 1.387 7 residues pruned to eliminate duplicates Z: 12 17.028 1.828 0.585 0.813 0.909 0.727 CA 1.484 Z: 23 36.498 2.046 1.019 0.864 0.955 0.545 CA 1.447 22 residues pruned to eliminate duplicates Z: 13 27.659 2.046 0.928 0.891 0.917 0.667 CA 1.588 13 residues pruned to eliminate duplicates Z: 55 29.860 1.987 0.676 0.541 0.907 0.667 CB 1.293 Z: 13 19.981 2.018 0.703 0.871 0.917 0.833 CB 1.336 13 residues pruned to eliminate duplicates Z: 24 27.734 1.925 0.823 0.808 1.000 0.478 CB 1.260 Z: 14 23.536 2.071 1.112 0.819 1.000 0.846 CA 1.131 14 residues pruned to eliminate duplicates Z: 24 29.011 1.977 0.698 0.868 0.957 0.696 CA 1.377 24 residues pruned to eliminate duplicates Z: 12 27.349 2.028 1.238 0.896 1.000 0.909 CA 1.302 12 residues pruned to eliminate duplicates Z: 12 26.640 2.057 1.183 0.929 1.000 0.545 CB 1.252 12 residues pruned to eliminate duplicates Z: 43 26.111 1.918 0.656 0.485 0.952 0.619 CA 1.353 14 residues pruned to eliminate duplicates Z: 11 12.098 1.658 0.503 0.801 0.900 0.800 CA 1.311 11 residues pruned to eliminate duplicates Z: 24 31.605 2.017 0.803 0.828 1.000 0.739 CA 1.365 24 residues pruned to eliminate duplicates Z: 39 32.160 2.030 0.689 0.566 0.974 0.737 CA 1.465 6 residues pruned to eliminate duplicates Z: 15 15.114 1.743 0.551 0.804 0.929 0.786 CB 1.235 15 residues pruned to eliminate duplicates Z: 11 23.101 2.063 1.183 0.930 1.000 0.900 CB 1.134 11 residues pruned to eliminate duplicates Z: 10 17.975 2.102 0.951 0.934 1.000 1.000 CB 1.019 10 residues pruned to eliminate duplicates Z: 45 29.814 2.016 0.684 0.521 0.955 0.614 CB 1.359 39 residues pruned to eliminate duplicates Z: 13 29.259 2.157 0.983 0.895 1.000 0.917 CA 1.415 13 residues pruned to eliminate duplicates Z: 23 36.103 2.088 0.961 0.893 0.955 0.727 CA 1.413 23 residues pruned to eliminate duplicates Z: 12 22.627 2.070 0.987 0.882 0.909 0.455 CB 1.320 12 residues pruned to eliminate duplicates Z: 16 19.717 1.792 0.820 0.808 1.000 0.733 CB 1.193 16 residues pruned to eliminate duplicates Z: 11 20.142 1.895 0.835 0.904 1.000 0.900 CB 1.305 11 residues pruned to eliminate duplicates Z: 12 14.549 1.928 0.523 0.850 1.000 0.727 CB 1.107 11 residues pruned to eliminate duplicates Z: 39 25.690 1.907 0.633 0.619 0.947 0.711 CB 1.263 Z: 7 10.928 1.855 0.585 0.847 0.833 0.667 CB 1.352 Z: 9 5.579 1.683 0.308 0.519 0.875 0.500 CB 1.005 Z: 8 4.244 1.878 0.033 0.298 0.857 0.286 CA 1.208 8 residues pruned to eliminate duplicates Z: 15 10.733 1.778 0.292 0.620 0.929 0.643 CA 1.201 Z: 6 3.717 1.935 0.008 0.470 0.800 0.600 CB 1.098 6 residues pruned to eliminate duplicates Z: 38 16.830 1.863 0.581 0.424 0.838 0.486 CB 1.213 36 residues pruned to eliminate duplicates Z: 41 26.249 2.030 0.678 0.473 0.925 0.550 CB 1.353 40 residues pruned to eliminate duplicates Z: 12 28.430 2.109 1.042 0.880 1.000 0.909 CB 1.442 12 residues pruned to eliminate duplicates Z: 12 21.805 2.148 0.649 0.860 1.000 0.818 CA 1.365 12 residues pruned to eliminate duplicates Z: 13 18.575 2.011 0.763 0.801 0.917 0.583 CB 1.267 13 residues pruned to eliminate duplicates Z: 14 11.975 1.764 0.221 0.832 1.000 0.692 CA 1.158 14 residues pruned to eliminate duplicates Z: 13 22.071 2.040 0.634 0.852 1.000 0.833 CA 1.414 13 residues pruned to eliminate duplicates Z: 24 34.643 2.069 0.888 0.876 1.000 0.696 CA 1.344 24 residues pruned to eliminate duplicates Z: 13 24.808 2.041 1.059 0.860 0.917 0.667 CA 1.367 13 residues pruned to eliminate duplicates Z: 24 32.223 2.083 0.690 0.864 1.000 0.609 CA 1.400 24 residues pruned to eliminate duplicates Z: 12 19.614 2.085 0.463 0.839 1.000 0.909 CA 1.448 12 residues pruned to eliminate duplicates Z: 14 18.032 1.839 0.414 0.825 1.000 0.692 CA 1.452 14 residues pruned to eliminate duplicates Z: 74 32.154 1.942 0.512 0.544 0.959 0.603 CB 1.281 55 residues pruned to eliminate duplicates Z: 39 31.676 2.052 0.699 0.594 0.921 0.711 CB 1.463 38 residues pruned to eliminate duplicates Z: 14 25.901 2.019 1.168 0.799 0.923 0.538 CA 1.370 14 residues pruned to eliminate duplicates Z: 23 30.434 2.018 0.737 0.880 1.000 0.955 CA 1.341 23 residues pruned to eliminate duplicates Z: 12 29.682 2.130 1.064 0.877 1.000 0.727 CA 1.478 13 residues pruned to eliminate duplicates Z: 23 25.570 1.944 0.482 0.867 1.000 0.682 CB 1.384 23 residues pruned to eliminate duplicates Z: 22 35.353 2.103 0.817 0.898 1.000 0.810 CA 1.444 22 residues pruned to eliminate duplicates Z: 9 11.623 1.918 0.660 0.619 0.875 0.375 CB 1.318 7 residues pruned to eliminate duplicates Z: 11 16.490 1.794 0.551 0.916 1.000 1.000 CB 1.323 11 residues pruned to eliminate duplicates Z: 19 17.039 2.068 0.883 0.412 0.889 0.500 CB 1.273 9 residues pruned to eliminate duplicates Z: 25 16.647 1.975 0.472 0.425 0.875 0.500 CA 1.445 Z: 23 25.893 2.029 0.648 0.828 0.955 0.818 CA 1.303 23 residues pruned to eliminate duplicates Z: 7 7.289 1.922 0.554 0.500 0.833 0.833 CB 1.196 9 residues pruned to eliminate duplicates Z: 50 30.968 1.902 0.814 0.633 0.918 0.571 CB 1.231 50 residues pruned to eliminate duplicates Z: 34 24.766 2.001 0.783 0.684 0.909 0.394 CB 1.122 34 residues pruned to eliminate duplicates Z: 14 23.864 2.009 0.833 0.845 0.923 0.769 CA 1.448 14 residues pruned to eliminate duplicates Z: 13 26.778 2.127 1.079 0.848 1.000 0.833 CA 1.297 13 residues pruned to eliminate duplicates Z: 52 28.391 1.991 0.772 0.406 0.922 0.510 CB 1.350 18 residues pruned to eliminate duplicates Z: 57 28.824 1.978 0.450 0.575 0.929 0.607 CA 1.345 57 residues pruned to eliminate duplicates Z: 8 6.480 1.667 0.518 0.566 1.000 0.714 CB 0.907 Z: 13 17.289 1.905 0.869 0.794 0.917 0.583 CA 1.181 13 residues pruned to eliminate duplicates Z: 7 7.791 1.655 0.864 0.647 1.000 0.833 CB 0.899 Z: 24 35.412 1.992 0.889 0.899 1.000 0.739 CB 1.403 24 residues pruned to eliminate duplicates Z: 22 21.692 1.857 0.578 0.892 1.000 0.905 CA 1.161 22 residues pruned to eliminate duplicates Z: 13 18.498 1.890 0.877 0.827 1.000 0.917 CA 1.134 13 residues pruned to eliminate duplicates Z: 21 23.143 1.992 0.603 0.868 0.950 0.700 CB 1.246 21 residues pruned to eliminate duplicates Z: 12 11.797 1.950 0.589 0.829 0.909 0.727 CB 0.950 12 residues pruned to eliminate duplicates Z: 12 21.525 1.815 0.915 0.938 1.000 1.000 CB 1.299 12 residues pruned to eliminate duplicates Z: 23 32.447 2.074 0.758 0.872 0.955 0.773 CA 1.449 23 residues pruned to eliminate duplicates Z: 24 27.478 1.988 0.469 0.900 1.000 0.957 CA 1.402 24 residues pruned to eliminate duplicates Z: 13 16.804 1.898 0.634 0.747 0.917 0.667 CA 1.369 13 residues pruned to eliminate duplicates Z: 43 17.800 1.914 0.573 0.368 0.833 0.548 CB 1.262 38 residues pruned to eliminate duplicates Z: 23 21.882 1.978 0.216 0.891 1.000 0.909 CA 1.395 23 residues pruned to eliminate duplicates Z: 12 17.463 1.901 1.136 0.906 0.909 0.727 CB 1.014 12 residues pruned to eliminate duplicates Z: 41 38.153 2.143 0.866 0.559 0.925 0.650 CB 1.541 42 residues pruned to eliminate duplicates Z: 23 35.310 2.009 1.081 0.889 0.955 0.591 CB 1.358 23 residues pruned to eliminate duplicates Z: 24 24.116 1.915 0.661 0.705 0.913 0.696 CA 1.438 24 residues pruned to eliminate duplicates Z: 23 35.981 2.022 0.988 0.884 1.000 0.773 CB 1.380 23 residues pruned to eliminate duplicates Z: 35 14.701 1.863 0.431 0.404 0.912 0.706 CB 1.147 12 residues pruned to eliminate duplicates Z: 24 26.686 2.044 0.569 0.861 1.000 0.913 CA 1.275 24 residues pruned to eliminate duplicates Z: 11 14.608 1.814 0.401 0.886 0.900 0.700 CA 1.457 11 residues pruned to eliminate duplicates Z: 11 10.944 1.779 0.663 0.623 0.800 0.300 CB 1.301 11 residues pruned to eliminate duplicates Z: 24 29.786 1.931 0.896 0.815 0.957 0.696 CA 1.349 24 residues pruned to eliminate duplicates Z: 24 27.185 2.052 0.591 0.897 0.957 0.913 CA 1.299 24 residues pruned to eliminate duplicates Z: 23 35.162 2.116 0.765 0.879 1.000 0.909 CA 1.456 23 residues pruned to eliminate duplicates Z: 23 24.858 1.959 0.517 0.856 1.000 0.909 CA 1.315 23 residues pruned to eliminate duplicates Z: 35 17.509 1.896 0.575 0.389 0.941 0.588 CB 1.202 38 residues pruned to eliminate duplicates Z: 24 34.991 2.074 0.892 0.875 0.957 0.739 CA 1.413 24 residues pruned to eliminate duplicates Z: 13 26.298 1.963 1.166 0.900 1.000 1.000 CA 1.275 13 residues pruned to eliminate duplicates Z: 23 34.584 2.049 0.803 0.858 1.000 0.682 CB 1.470 23 residues pruned to eliminate duplicates Z: 23 30.751 2.083 0.634 0.884 1.000 0.909 CA 1.392 23 residues pruned to eliminate duplicates Z: 13 15.560 1.887 0.687 0.862 1.000 0.667 CB 1.036 13 residues pruned to eliminate duplicates Z: 40 36.460 2.108 0.864 0.557 0.897 0.410 CB 1.566 40 residues pruned to eliminate duplicates Z: 10 8.274 1.701 0.709 0.406 0.778 0.556 N 1.346 Z: 12 23.027 2.143 0.626 0.889 1.000 0.909 CA 1.435 12 residues pruned to eliminate duplicates Z: 13 15.660 1.721 0.655 0.891 1.000 0.833 CB 1.142 13 residues pruned to eliminate duplicates Z: 13 21.220 1.993 0.750 0.882 1.000 0.750 CB 1.270 13 residues pruned to eliminate duplicates Z: 22 38.281 2.121 1.111 0.876 0.905 0.571 CB 1.499 22 residues pruned to eliminate duplicates Z: 37 19.156 1.937 0.601 0.399 0.944 0.556 CB 1.212 36 residues pruned to eliminate duplicates Z: 37 29.807 1.981 0.725 0.698 0.917 0.639 CB 1.324 38 residues pruned to eliminate duplicates Z: 41 37.598 2.110 0.890 0.540 0.925 0.625 CB 1.549 41 residues pruned to eliminate duplicates Z: 24 26.022 1.985 0.515 0.864 1.000 0.783 CA 1.323 24 residues pruned to eliminate duplicates Z: 23 32.326 2.005 0.768 0.867 1.000 0.682 CB 1.422 23 residues pruned to eliminate duplicates Z: 8 9.540 1.958 0.186 0.777 1.000 0.857 CA 1.216 8 residues pruned to eliminate duplicates Z: 24 38.133 2.083 0.881 0.879 1.000 0.696 CA 1.472 24 residues pruned to eliminate duplicates Z: 13 19.061 1.956 0.664 0.869 0.917 0.750 CA 1.348 13 residues pruned to eliminate duplicates Z: 6 9.713 1.870 1.059 0.796 0.600 0.600 O 1.451 6 residues pruned to eliminate duplicates Z: 23 29.721 1.962 0.777 0.853 1.000 0.455 CB 1.343 24 residues pruned to eliminate duplicates Z: 15 5.653 1.591 0.366 0.371 0.857 0.643 CB 0.931 Z: 40 38.726 2.145 0.982 0.573 0.897 0.462 CB 1.514 40 residues pruned to eliminate duplicates Z: 23 28.601 2.062 0.628 0.878 1.000 0.909 CA 1.318 23 residues pruned to eliminate duplicates Z: 15 28.722 1.938 1.036 0.872 1.000 0.357 CA 1.418 15 residues pruned to eliminate duplicates Z: 23 35.572 2.080 0.999 0.886 0.909 0.591 CA 1.447 24 residues pruned to eliminate duplicates Z: 13 21.234 1.817 0.909 0.919 1.000 0.917 CB 1.245 13 residues pruned to eliminate duplicates Z: 16 11.761 1.792 0.299 0.701 0.867 0.600 CB 1.252 16 residues pruned to eliminate duplicates Z: 21 10.799 1.780 0.572 0.301 0.800 0.450 CB 1.346 21 residues pruned to eliminate duplicates Z: 44 35.440 2.091 0.828 0.528 0.907 0.512 CB 1.516 43 residues pruned to eliminate duplicates Z: 7 12.916 1.838 0.935 0.727 0.833 0.333 CA 1.451 7 residues pruned to eliminate duplicates Z: 22 36.663 2.025 1.043 0.889 0.952 0.762 CB 1.462 22 residues pruned to eliminate duplicates Z: 23 39.517 2.124 0.945 0.893 1.000 0.818 CA 1.464 23 residues pruned to eliminate duplicates Z: 13 18.347 1.865 0.968 0.833 1.000 0.667 CB 1.082 13 residues pruned to eliminate duplicates Z: 23 25.021 1.950 0.650 0.857 0.955 0.773 CB 1.279 23 residues pruned to eliminate duplicates Z: 12 20.973 1.904 0.862 0.917 1.000 0.727 CB 1.259 12 residues pruned to eliminate duplicates Z: 15 16.509 1.848 0.500 0.738 0.929 0.643 CA 1.385 15 residues pruned to eliminate duplicates Z: 13 4.033 1.656 0.475 0.199 0.667 0.167 N 1.023 13 residues pruned to eliminate duplicates Z: 13 21.156 1.851 0.826 0.868 0.917 0.667 CB 1.441 13 residues pruned to eliminate duplicates Z: 13 27.879 2.137 0.973 0.871 1.000 1.000 CA 1.392 13 residues pruned to eliminate duplicates Z: 25 18.399 1.693 0.557 0.758 0.917 0.667 CB 1.235 38 residues pruned to eliminate duplicates Z: 13 19.876 1.920 0.852 0.839 1.000 0.750 CA 1.205 13 residues pruned to eliminate duplicates Z: 19 14.023 1.892 0.860 0.343 0.833 0.556 CB 1.336 19 residues pruned to eliminate duplicates Z: 23 27.497 2.029 0.531 0.902 1.000 0.864 CA 1.346 23 residues pruned to eliminate duplicates Z: 13 26.344 2.022 0.874 0.897 1.000 0.917 CB 1.437 13 residues pruned to eliminate duplicates Z: 23 27.174 1.963 0.614 0.846 0.955 0.818 CA 1.423 23 residues pruned to eliminate duplicates Z: 11 12.254 1.751 0.494 0.711 0.900 0.700 CA 1.359 11 residues pruned to eliminate duplicates Z: 13 19.669 1.896 0.965 0.840 0.917 0.750 CB 1.241 12 residues pruned to eliminate duplicates Z: 14 15.481 1.875 0.471 0.887 0.923 0.846 CA 1.216 14 residues pruned to eliminate duplicates Z: 13 21.650 2.094 0.682 0.813 0.917 0.750 CB 1.475 13 residues pruned to eliminate duplicates Z: 11 15.278 2.199 0.811 0.344 0.900 0.300 CB 1.597 13 residues pruned to eliminate duplicates Z: 12 16.346 1.865 0.765 0.839 0.818 0.636 CA 1.367 12 residues pruned to eliminate duplicates Z: 14 22.992 2.037 0.702 0.825 1.000 0.692 CA 1.389 14 residues pruned to eliminate duplicates Z: 9 14.878 2.041 0.407 0.715 1.000 0.875 N 1.508 9 residues pruned to eliminate duplicates Z: 7 8.500 1.843 0.930 0.630 0.833 0.667 CB 1.036 7 residues pruned to eliminate duplicates Z: 22 29.464 2.084 0.563 0.872 1.000 0.857 CA 1.440 22 residues pruned to eliminate duplicates Z: 13 17.966 1.964 0.916 0.647 1.000 0.667 CB 1.202 10 residues pruned to eliminate duplicates Z: 24 34.174 2.035 0.874 0.897 1.000 0.739 CA 1.338 24 residues pruned to eliminate duplicates Z: 23 34.029 2.001 0.969 0.869 1.000 0.864 CA 1.345 23 residues pruned to eliminate duplicates Z: 22 22.124 1.980 0.620 0.825 0.810 0.619 CB 1.404 22 residues pruned to eliminate duplicates Z: 11 16.817 1.872 0.328 0.922 1.000 0.800 CB 1.504 11 residues pruned to eliminate duplicates Z: 23 19.795 1.984 0.968 0.411 0.909 0.500 CB 1.305 19 residues pruned to eliminate duplicates Z: 13 11.956 1.608 0.492 0.864 0.917 0.833 CA 1.151 13 residues pruned to eliminate duplicates Z: 14 15.892 1.916 0.579 0.522 1.000 0.538 CA 1.426 7 residues pruned to eliminate duplicates Z: 39 37.799 2.134 0.803 0.583 0.947 0.658 CB 1.554 42 residues pruned to eliminate duplicates Z: 23 32.957 1.986 0.888 0.841 1.000 0.591 CB 1.398 23 residues pruned to eliminate duplicates Z: 15 26.012 2.008 1.059 0.781 0.857 0.714 CA 1.532 15 residues pruned to eliminate duplicates Z: 6 4.200 1.558 0.422 0.293 0.800 0.800 O 1.336 Z: 9 4.578 1.552 0.363 0.361 0.875 0.500 CB 1.016 Z: 22 24.219 1.955 0.590 0.881 1.000 0.905 CA 1.230 22 residues pruned to eliminate duplicates Z: 39 15.785 1.843 0.424 0.393 0.868 0.579 CB 1.258 Z: 57 31.269 1.922 0.603 0.631 0.929 0.661 CB 1.291 53 residues pruned to eliminate duplicates Z: 24 33.885 1.967 0.875 0.863 1.000 0.609 CA 1.405 24 residues pruned to eliminate duplicates Z: 43 24.185 1.933 0.690 0.448 0.976 0.619 CB 1.235 25 residues pruned to eliminate duplicates Z: 36 22.906 2.024 0.802 0.426 0.857 0.600 CB 1.338 36 residues pruned to eliminate duplicates Z: 10 20.842 1.954 0.732 0.917 1.000 0.889 CB 1.449 10 residues pruned to eliminate duplicates Z: 40 38.791 2.147 0.953 0.575 0.897 0.564 CB 1.536 41 residues pruned to eliminate duplicates 11 1.542 1.583 0.355 0.201 0.600 0.200 CB 0.540 ? Z: 6 5.326 1.749 0.695 0.619 0.800 0.800 CA 0.897 Z: 8 6.811 1.814 0.344 0.380 0.857 0.857 CB 1.400 Z: 13 24.686 2.066 0.894 0.892 0.917 0.667 CB 1.428 13 residues pruned to eliminate duplicates Z: 41 19.834 1.919 0.446 0.489 0.825 0.650 CB 1.385 Z: 13 18.845 1.693 0.738 0.906 1.000 0.750 CA 1.315 13 residues pruned to eliminate duplicates Z: 24 38.038 2.091 0.952 0.872 1.000 0.826 CA 1.416 24 residues pruned to eliminate duplicates Z: 31 25.639 1.952 0.550 0.740 1.000 0.833 CA 1.248 31 residues pruned to eliminate duplicates Z: 7 2.437 1.510 0.376 0.446 0.667 0.500 CB 0.759 Z: 44 30.895 2.001 0.762 0.547 0.930 0.674 CB 1.372 41 residues pruned to eliminate duplicates Z: 11 18.650 2.023 0.875 0.916 1.000 0.900 CB 1.098 12 residues pruned to eliminate duplicates Z: 24 24.798 1.959 0.581 0.851 0.957 0.652 CB 1.291 24 residues pruned to eliminate duplicates Z: 14 13.295 1.902 0.680 0.660 0.769 0.615 CB 1.293 15 residues pruned to eliminate duplicates Z: 46 28.025 2.012 0.587 0.556 0.933 0.778 CB 1.328 46 residues pruned to eliminate duplicates Z: 24 35.269 2.057 0.935 0.864 1.000 0.609 CA 1.355 24 residues pruned to eliminate duplicates Z: 23 28.177 2.031 0.573 0.873 0.955 0.591 CB 1.435 23 residues pruned to eliminate duplicates Z: 11 19.234 1.873 0.797 0.919 0.900 0.800 CB 1.415 11 residues pruned to eliminate duplicates Z: 23 37.813 2.027 1.015 0.884 1.000 0.682 CB 1.426 35 residues pruned to eliminate duplicates Z: 23 26.808 2.042 0.477 0.887 1.000 0.818 CA 1.367 23 residues pruned to eliminate duplicates Z: 15 10.543 1.806 0.442 0.614 0.857 0.571 CB 1.134 15 residues pruned to eliminate duplicates Z: 14 14.131 1.791 0.457 0.795 1.000 0.769 CA 1.160 14 residues pruned to eliminate duplicates Z: 54 30.148 1.956 0.438 0.667 0.962 0.830 CA 1.311 54 residues pruned to eliminate duplicates Z: 8 10.960 1.808 0.816 0.513 0.857 0.714 CB 1.453 8 residues pruned to eliminate duplicates Z: 15 17.036 1.774 0.682 0.781 1.000 0.571 CA 1.191 15 residues pruned to eliminate duplicates Z: 10 5.716 1.883 0.118 0.602 0.889 0.556 CB 0.923 5 residues pruned to eliminate duplicates Z: 15 14.272 1.798 0.341 0.848 1.000 0.857 CA 1.174 15 residues pruned to eliminate duplicates Z: 24 34.876 2.062 0.947 0.868 1.000 0.783 CA 1.324 24 residues pruned to eliminate duplicates Z: 23 29.449 1.986 0.729 0.850 0.955 0.864 CB 1.419 23 residues pruned to eliminate duplicates Z: 23 30.813 2.028 0.802 0.860 0.955 0.864 CA 1.386 23 residues pruned to eliminate duplicates Z: 45 29.707 2.012 0.662 0.524 0.932 0.682 CB 1.403 47 residues pruned to eliminate duplicates Z: 13 14.467 1.947 0.322 0.858 0.917 0.833 CA 1.304 13 residues pruned to eliminate duplicates Z: 15 18.003 1.836 0.783 0.783 0.929 0.571 CA 1.234 15 residues pruned to eliminate duplicates Z: 23 31.203 2.069 0.719 0.870 1.000 0.727 CA 1.365 23 residues pruned to eliminate duplicates Z: 47 23.321 1.852 0.609 0.568 0.891 0.739 CB 1.211 34 residues pruned to eliminate duplicates Z: 6 10.806 1.806 0.601 0.833 1.000 0.800 CB 1.254 6 residues pruned to eliminate duplicates Z: 12 22.791 1.950 0.877 0.880 1.000 0.636 CB 1.360 12 residues pruned to eliminate duplicates Z: 23 31.947 2.079 0.839 0.872 1.000 0.818 CA 1.298 23 residues pruned to eliminate duplicates Z: 24 30.276 1.986 0.660 0.889 0.957 0.826 CA 1.442 24 residues pruned to eliminate duplicates Z: 11 15.053 1.786 0.294 0.909 1.000 0.900 CB 1.462 11 residues pruned to eliminate duplicates Z: 16 13.986 1.866 0.917 0.424 0.800 0.533 CB 1.366 7 residues pruned to eliminate duplicates Z: 7 3.339 1.350 0.663 0.617 0.833 0.667 N 0.652 Z: 63 34.202 1.972 0.602 0.567 0.935 0.629 CB 1.377 57 residues pruned to eliminate duplicates Z: 22 30.091 1.985 0.760 0.875 1.000 0.667 CA 1.367 22 residues pruned to eliminate duplicates Z: 37 14.788 1.817 0.491 0.395 0.833 0.500 CB 1.220 37 residues pruned to eliminate duplicates Z: 23 23.525 2.019 0.460 0.857 0.955 0.955 CA 1.314 23 residues pruned to eliminate duplicates Z: 23 22.547 1.950 0.248 0.880 1.000 0.864 CB 1.431 23 residues pruned to eliminate duplicates Z: 13 19.304 1.875 0.549 0.876 1.000 0.917 CA 1.395 13 residues pruned to eliminate duplicates Z: 23 25.573 2.015 0.598 0.831 0.955 0.818 CA 1.334 23 residues pruned to eliminate duplicates Z: 6 4.807 1.277 1.021 0.485 0.800 0.600 CB 1.056 Z: 12 14.313 1.918 0.627 0.889 1.000 0.818 CB 0.996 12 residues pruned to eliminate duplicates Z: 36 17.000 1.872 0.473 0.490 0.914 0.543 CB 1.152 36 residues pruned to eliminate duplicates Z: 30 26.068 1.969 0.806 0.710 0.897 0.690 CB 1.255 30 residues pruned to eliminate duplicates Z: 31 26.985 1.922 0.597 0.738 1.000 0.767 CA 1.296 31 residues pruned to eliminate duplicates Z: 6 7.341 1.746 0.208 0.811 1.000 0.400 CA 1.187 6 residues pruned to eliminate duplicates Z: 64 28.622 1.973 0.561 0.520 0.937 0.587 CB 1.225 66 residues pruned to eliminate duplicates Z: 11 4.013 1.806 0.315 0.374 0.800 0.500 CB 0.764 Z: 46 27.421 2.000 0.594 0.532 0.911 0.644 CB 1.364 46 residues pruned to eliminate duplicates Z: 23 27.855 2.027 0.548 0.877 1.000 0.909 CA 1.374 23 residues pruned to eliminate duplicates Z: 14 15.268 1.845 0.552 0.878 1.000 0.923 CB 1.073 14 residues pruned to eliminate duplicates Z: 6 3.544 1.524 0.369 0.614 1.000 0.400 CB 0.682 6 residues pruned to eliminate duplicates Z: 42 32.479 2.086 0.861 0.480 0.878 0.512 CB 1.518 42 residues pruned to eliminate duplicates Z: 22 36.657 2.092 0.977 0.871 0.952 0.619 CB 1.482 22 residues pruned to eliminate duplicates Z: 52 17.575 1.836 0.444 0.397 0.882 0.529 CB 1.173 93 residues pruned to eliminate duplicates Z: 13 18.644 1.932 0.779 0.827 0.917 0.583 CB 1.287 13 residues pruned to eliminate duplicates Z: 28 23.007 2.014 0.386 0.590 0.963 0.667 CB 1.511 28 residues pruned to eliminate duplicates Z: 24 14.786 2.005 0.623 0.382 0.870 0.435 CB 1.235 25 residues pruned to eliminate duplicates Z: 13 18.551 1.902 0.650 0.886 1.000 0.917 CA 1.231 13 residues pruned to eliminate duplicates Z: 37 26.960 2.025 0.643 0.533 0.861 0.694 CB 1.518 37 residues pruned to eliminate duplicates Z: 12 13.739 1.712 0.538 0.902 1.000 1.000 CB 1.122 12 residues pruned to eliminate duplicates Z: 23 28.757 2.057 0.503 0.860 1.000 0.818 CA 1.458 23 residues pruned to eliminate duplicates Z: 45 29.390 1.994 0.779 0.533 0.886 0.636 CB 1.364 45 residues pruned to eliminate duplicates Z: 42 35.924 2.013 0.999 0.532 0.927 0.561 CB 1.458 42 residues pruned to eliminate duplicates Z: 19 10.969 1.788 0.433 0.397 0.889 0.611 CB 1.266 19 residues pruned to eliminate duplicates Z: 43 25.063 1.907 0.614 0.484 0.905 0.643 CA 1.410 43 residues pruned to eliminate duplicates Z: 13 9.213 1.683 0.318 0.640 0.833 0.667 CB 1.263 10 residues pruned to eliminate duplicates Z: 25 22.391 2.011 1.066 0.582 0.875 0.417 CB 1.162 13 residues pruned to eliminate duplicates Z: 16 8.940 1.605 0.582 0.445 0.800 0.600 CB 1.203 16 residues pruned to eliminate duplicates Z: 14 5.990 1.581 0.148 0.410 0.846 0.538 CB 1.189 12 residues pruned to eliminate duplicates Z: 22 30.889 2.036 0.745 0.899 0.952 0.667 CA 1.424 22 residues pruned to eliminate duplicates Z: 12 11.415 1.803 0.390 0.549 1.000 0.455 CB 1.310 Z: 23 36.018 2.043 0.980 0.873 1.000 0.773 CA 1.382 23 residues pruned to eliminate duplicates Z: 39 19.447 1.864 0.552 0.435 0.895 0.395 CB 1.303 37 residues pruned to eliminate duplicates Z: 14 7.962 1.643 0.087 0.656 0.923 0.615 CB 1.159 14 residues pruned to eliminate duplicates Z: 14 21.537 1.798 0.757 0.868 1.000 0.769 CB 1.382 14 residues pruned to eliminate duplicates Z: 22 20.654 1.940 0.683 0.843 0.762 0.571 CB 1.350 22 residues pruned to eliminate duplicates Z: 39 17.416 1.876 0.518 0.420 0.895 0.447 CB 1.205 39 residues pruned to eliminate duplicates Z: 7 7.358 1.755 0.721 0.653 0.667 0.500 CB 1.293 7 residues pruned to eliminate duplicates Z: 7 4.635 1.727 0.579 0.432 1.000 0.333 CB 0.744 9 residues pruned to eliminate duplicates Z: 39 31.322 1.996 0.763 0.690 0.974 0.632 CB 1.245 39 residues pruned to eliminate duplicates Z: 6 3.707 1.602 0.027 0.476 0.800 0.400 N 1.291 6 residues pruned to eliminate duplicates Z: 16 9.592 1.712 0.727 0.428 0.800 0.333 CB 1.128 Z: 15 7.287 1.648 0.627 0.401 0.714 0.357 CB 1.129 7 residues pruned to eliminate duplicates Z: 23 26.043 1.949 0.572 0.883 0.955 0.818 CA 1.373 23 residues pruned to eliminate duplicates Z: 22 27.820 2.087 0.668 0.868 0.952 0.905 CA 1.339 22 residues pruned to eliminate duplicates Z: 40 37.968 2.149 0.839 0.596 0.923 0.564 CB 1.519 39 residues pruned to eliminate duplicates Z: 6 9.070 1.917 0.959 0.830 0.800 0.200 CB 1.015 6 residues pruned to eliminate duplicates Z: 24 29.992 2.015 0.741 0.841 0.957 0.826 CA 1.390 24 residues pruned to eliminate duplicates Z: 42 26.627 1.967 0.709 0.508 0.902 0.659 CB 1.359 42 residues pruned to eliminate duplicates Z: 69 32.093 1.933 0.495 0.624 0.926 0.647 CB 1.292 74 residues pruned to eliminate duplicates Z: 6 6.866 1.794 0.114 0.704 1.000 0.800 CA 1.276 Z: 9 5.893 1.785 0.220 0.604 0.750 0.625 CB 1.156 9 residues pruned to eliminate duplicates Z: 22 17.697 1.916 0.438 0.895 0.952 0.810 CA 1.055 22 residues pruned to eliminate duplicates Z: 8 8.112 1.713 0.218 0.907 1.000 1.000 CB 1.044 8 residues pruned to eliminate duplicates Z: 24 28.939 1.949 0.779 0.894 0.957 0.913 CA 1.305 24 residues pruned to eliminate duplicates Z: 35 15.778 1.841 0.499 0.346 0.882 0.500 CA 1.313 Z: 13 6.519 1.633 0.109 0.540 0.917 0.583 CB 1.090 13 residues pruned to eliminate duplicates Z: 7 8.285 1.862 0.141 0.668 1.000 0.500 CB 1.362 Z: 52 31.191 1.986 0.522 0.659 0.961 0.745 CA 1.298 52 residues pruned to eliminate duplicates Z: 34 25.887 2.026 0.519 0.557 0.909 0.576 CB 1.523 34 residues pruned to eliminate duplicates Z: 31 23.456 1.978 0.721 0.564 0.900 0.667 CB 1.314 31 residues pruned to eliminate duplicates Z: 29 28.172 2.091 0.960 0.496 0.893 0.500 CB 1.461 29 residues pruned to eliminate duplicates Z: 15 8.975 1.649 0.812 0.422 0.786 0.500 CA 1.107 15 residues pruned to eliminate duplicates Z: 15 12.865 1.786 0.786 0.402 0.929 0.714 CA 1.286 15 residues pruned to eliminate duplicates Z: 24 28.783 2.167 0.996 0.550 0.913 0.652 CB 1.447 24 residues pruned to eliminate duplicates Z: 6 3.572 1.535 0.553 0.695 0.800 0.600 CA 0.701 6 residues pruned to eliminate duplicates Z: 14 22.081 1.961 0.646 0.860 0.923 0.615 CA 1.512 14 residues pruned to eliminate duplicates Z: 6 4.931 1.761 0.215 0.616 1.000 0.600 CB 0.924 Z: 39 33.665 2.019 0.872 0.494 0.974 0.474 CB 1.493 51 residues pruned to eliminate duplicates Z: 39 21.273 1.928 0.545 0.524 0.921 0.447 CB 1.228 32 residues pruned to eliminate duplicates Z: 8 5.595 1.710 0.932 0.421 0.857 0.429 CB 0.811 Z: 15 13.846 1.820 0.409 0.762 0.929 0.857 CA 1.232 15 residues pruned to eliminate duplicates Z: 24 30.762 1.941 0.869 0.877 1.000 0.783 CA 1.283 24 residues pruned to eliminate duplicates Z: 21 25.462 1.991 0.506 0.867 1.000 0.950 CA 1.389 21 residues pruned to eliminate duplicates Z: 42 14.406 1.835 0.477 0.363 0.829 0.439 CB 1.160 14 residues pruned to eliminate duplicates Z: 21 22.153 1.944 0.799 0.880 0.950 0.500 CB 1.081 21 residues pruned to eliminate duplicates Z: 6 5.668 1.810 0.717 0.575 0.800 0.600 CB 0.949 Z: 12 22.632 1.986 0.724 0.871 1.000 0.909 CA 1.454 12 residues pruned to eliminate duplicates Z: 6 6.162 1.628 0.602 0.687 0.800 0.600 N 1.113 6 residues pruned to eliminate duplicates Z: 7 11.741 1.988 0.632 0.473 1.000 0.667 CB 1.518 7 residues pruned to eliminate duplicates Z: 23 29.555 1.972 0.830 0.837 0.955 0.591 CB 1.368 24 residues pruned to eliminate duplicates Z: 28 22.439 2.054 0.631 0.570 0.852 0.593 CA 1.414 28 residues pruned to eliminate duplicates Z: 23 34.739 2.014 0.913 0.867 1.000 0.682 CA 1.405 23 residues pruned to eliminate duplicates Z: 7 3.674 1.672 0.345 0.686 0.500 0.500 CA 1.125 7 residues pruned to eliminate duplicates Z: 35 14.192 1.823 0.436 0.412 0.882 0.471 CB 1.156 35 residues pruned to eliminate duplicates 6 1.505 1.494 -0.122 0.295 0.600 0.400 CB 1.076 ? Z: 46 30.420 2.040 0.844 0.447 0.867 0.600 CB 1.469 39 residues pruned to eliminate duplicates Z: 40 33.131 2.067 0.855 0.502 0.923 0.333 CB 1.496 40 residues pruned to eliminate duplicates Z: 6 6.435 1.860 0.535 0.460 0.800 0.400 CB 1.312 6 residues pruned to eliminate duplicates Z: 24 21.062 1.955 0.748 0.443 0.870 0.522 CA 1.566 24 residues pruned to eliminate duplicates Z: 21 27.852 1.926 0.851 0.847 0.950 0.700 CA 1.366 21 residues pruned to eliminate duplicates Z: 14 7.444 1.726 0.334 0.376 0.846 0.385 CB 1.209 Z: 9 5.921 1.653 0.389 0.404 0.875 0.625 CA 1.152 9 residues pruned to eliminate duplicates Z: 15 11.110 1.838 0.466 0.593 0.786 0.357 CB 1.283 15 residues pruned to eliminate duplicates Z: 38 31.605 2.055 0.539 0.724 0.973 0.676 CB 1.379 45 residues pruned to eliminate duplicates Z: 12 22.548 2.060 0.788 0.904 1.000 1.000 CA 1.315 12 residues pruned to eliminate duplicates Z: 31 22.668 1.885 0.497 0.740 0.933 0.633 CB 1.267 24 residues pruned to eliminate duplicates Z: 9 2.810 1.589 0.265 0.254 0.750 0.625 CB 0.874 9 residues pruned to eliminate duplicates Z: 12 8.845 1.905 0.024 0.665 0.909 0.545 CA 1.291 12 residues pruned to eliminate duplicates Z: 43 37.173 2.084 1.020 0.537 0.976 0.429 CB 1.346 43 residues pruned to eliminate duplicates Z: 30 18.782 2.006 0.680 0.419 0.793 0.655 CB 1.420 30 residues pruned to eliminate duplicates Z: 23 28.985 1.951 0.656 0.879 1.000 0.727 CA 1.387 23 residues pruned to eliminate duplicates Z: 8 13.608 1.779 0.966 0.730 0.857 0.571 CB 1.395 8 residues pruned to eliminate duplicates Z: 21 28.088 2.019 0.787 0.916 1.000 0.850 CA 1.229 21 residues pruned to eliminate duplicates Z: 42 25.131 2.000 0.704 0.527 0.878 0.659 CB 1.277 42 residues pruned to eliminate duplicates Z: 7 3.351 1.720 0.157 0.821 1.000 0.833 CB 0.520 7 residues pruned to eliminate duplicates Z: 38 18.903 1.918 0.432 0.482 0.919 0.703 CB 1.254 38 residues pruned to eliminate duplicates Z: 6 5.770 1.672 0.240 0.825 1.000 1.000 CB 0.940 6 residues pruned to eliminate duplicates Z: 19 16.846 1.921 0.731 0.546 0.889 0.444 CB 1.283 19 residues pruned to eliminate duplicates Z: 15 19.763 1.825 0.703 0.821 1.000 0.857 CA 1.287 15 residues pruned to eliminate duplicates Z: 16 9.885 1.755 0.337 0.464 0.933 0.533 CA 1.209 8 residues pruned to eliminate duplicates Z: 17 12.130 1.800 0.546 0.437 1.000 0.625 CB 1.164 17 residues pruned to eliminate duplicates Z: 10 2.345 1.402 0.315 0.466 0.778 0.556 CB 0.564 6 1.674 1.422 0.131 0.434 0.600 0.400 N 0.831 ? Z: 6 3.409 1.541 0.047 0.687 1.000 0.400 CB 0.796 6 residues pruned to eliminate duplicates Z: 13 20.144 2.010 0.687 0.890 0.917 0.667 CB 1.345 13 residues pruned to eliminate duplicates Z: 12 11.376 1.690 0.200 0.751 1.000 0.727 CA 1.351 12 residues pruned to eliminate duplicates Z: 23 28.198 2.045 0.617 0.869 1.000 0.727 CA 1.328 23 residues pruned to eliminate duplicates Z: 13 24.109 1.936 1.125 0.863 1.000 0.833 CA 1.241 13 residues pruned to eliminate duplicates Z: 6 3.411 1.718 0.197 0.634 0.800 0.600 CB 0.817 Z: 23 25.932 1.909 0.724 0.824 0.955 0.545 CB 1.329 23 residues pruned to eliminate duplicates Z: 15 14.638 1.839 0.464 0.783 0.929 0.857 CA 1.220 15 residues pruned to eliminate duplicates Z: 9 7.102 1.897 0.597 0.394 0.750 0.500 CB 1.235 8 residues pruned to eliminate duplicates Z: 12 25.257 1.825 1.162 0.928 1.000 0.909 CB 1.351 12 residues pruned to eliminate duplicates Z: 6 5.951 1.830 0.547 0.380 1.000 0.800 CB 1.068 6 residues pruned to eliminate duplicates Z: 19 9.400 1.888 0.476 0.269 0.722 0.278 CB 1.431 19 residues pruned to eliminate duplicates Z: 17 13.593 1.742 0.746 0.534 0.875 0.375 CB 1.235 16 residues pruned to eliminate duplicates Z: 14 8.544 1.686 0.276 0.609 0.769 0.692 CB 1.291 14 residues pruned to eliminate duplicates Z: 19 9.893 1.850 0.416 0.329 0.944 0.500 CA 1.137 16 residues pruned to eliminate duplicates Z: 22 22.853 1.957 0.641 0.824 0.952 0.619 CB 1.232 22 residues pruned to eliminate duplicates Z: 23 24.566 1.875 0.575 0.879 0.955 0.773 CB 1.347 23 residues pruned to eliminate duplicates Z: 10 8.401 1.830 0.684 0.451 0.889 0.778 CB 1.075 Z: 12 24.518 1.823 1.246 0.928 1.000 0.818 CB 1.264 12 residues pruned to eliminate duplicates Z: 40 24.627 2.009 0.498 0.515 0.923 0.641 CB 1.398 40 residues pruned to eliminate duplicates Z: 7 3.576 1.588 0.225 0.785 1.000 0.833 CB 0.584 Z: 13 31.058 2.152 1.271 0.890 1.000 1.000 CA 1.320 13 residues pruned to eliminate duplicates Z: 20 14.185 1.958 0.596 0.419 0.789 0.421 CB 1.435 19 residues pruned to eliminate duplicates Z: 9 6.714 1.835 -0.005 0.504 1.000 0.375 CB 1.295 9 residues pruned to eliminate duplicates Z: 43 34.006 2.068 0.878 0.542 0.857 0.595 CB 1.512 43 residues pruned to eliminate duplicates Z: 21 21.392 2.008 0.437 0.891 0.950 0.950 CA 1.255 21 residues pruned to eliminate duplicates Z: 13 18.311 1.876 0.541 0.921 0.917 0.750 CA 1.404 13 residues pruned to eliminate duplicates Z: 43 32.164 2.046 0.839 0.490 0.929 0.548 CB 1.435 40 residues pruned to eliminate duplicates Z: 14 19.363 2.022 0.678 0.785 0.923 0.692 CA 1.335 14 residues pruned to eliminate duplicates Z: 10 15.020 1.960 0.574 0.807 1.000 0.889 CA 1.242 10 residues pruned to eliminate duplicates Z: 21 11.237 1.914 0.504 0.351 0.850 0.500 CB 1.207 22 residues pruned to eliminate duplicates Z: 23 24.483 1.994 0.451 0.868 1.000 0.864 CA 1.319 23 residues pruned to eliminate duplicates Z: 46 27.851 1.913 0.504 0.694 0.956 0.711 CB 1.264 46 residues pruned to eliminate duplicates Z: 12 20.281 1.963 0.736 0.925 1.000 0.818 CA 1.259 12 residues pruned to eliminate duplicates Z: 9 4.737 1.538 0.494 0.323 0.875 0.375 CB 1.011 Z: 12 14.910 1.972 0.423 0.835 1.000 1.000 CA 1.200 12 residues pruned to eliminate duplicates Z: 7 7.193 1.769 0.265 0.873 1.000 0.667 CB 0.956 7 residues pruned to eliminate duplicates Z: 13 11.668 1.623 0.567 0.851 0.917 0.667 CB 1.069 Z: 81 29.360 1.784 0.512 0.591 0.950 0.650 CB 1.174 43 residues pruned to eliminate duplicates Z: 9 8.579 1.914 0.584 0.467 0.750 0.500 CA 1.380 9 residues pruned to eliminate duplicates Z: 44 29.280 1.994 0.754 0.561 0.953 0.605 CB 1.263 44 residues pruned to eliminate duplicates Z: 45 28.042 1.998 0.592 0.539 0.909 0.636 CA 1.408 94 residues pruned to eliminate duplicates Z: 23 29.842 2.019 0.666 0.885 0.955 0.773 CB 1.431 23 residues pruned to eliminate duplicates Z: 38 25.005 2.007 0.715 0.548 0.919 0.568 CB 1.240 36 residues pruned to eliminate duplicates Z: 7 10.410 1.642 0.878 0.789 1.000 0.667 CB 1.069 7 residues pruned to eliminate duplicates Z: 24 29.716 1.989 0.938 0.823 0.870 0.522 CB 1.397 24 residues pruned to eliminate duplicates Z: 9 2.350 1.585 0.149 0.307 0.500 0.375 CB 1.130 Z: 7 6.397 1.284 0.576 0.779 1.000 0.833 CA 1.009 7 residues pruned to eliminate duplicates Z: 35 20.357 1.880 0.589 0.469 0.941 0.618 CB 1.281 43 residues pruned to eliminate duplicates Z: 14 11.404 1.530 0.444 0.838 0.923 0.769 CB 1.159 14 residues pruned to eliminate duplicates Z: 22 25.153 1.972 0.686 0.871 0.905 0.667 CA 1.331 22 residues pruned to eliminate duplicates Z: 21 14.113 1.773 0.724 0.454 0.850 0.550 CB 1.273 Z: 7 9.805 1.846 0.394 0.818 1.000 0.333 CA 1.180 7 residues pruned to eliminate duplicates Z: 15 18.810 1.689 0.710 0.885 0.929 0.571 CA 1.354 25 residues pruned to eliminate duplicates Z: 33 28.968 2.015 0.703 0.674 0.969 0.625 CB 1.312 33 residues pruned to eliminate duplicates Z: 14 18.229 1.809 0.856 0.856 0.846 0.615 CA 1.312 14 residues pruned to eliminate duplicates Z: 39 31.161 2.034 0.614 0.603 0.974 0.711 CB 1.434 39 residues pruned to eliminate duplicates Z: 12 18.443 1.986 0.798 0.903 0.909 0.818 CB 1.221 12 residues pruned to eliminate duplicates Z: 35 23.706 1.907 0.753 0.515 0.882 0.647 CA 1.358 35 residues pruned to eliminate duplicates Z: 6 5.156 1.773 0.255 0.834 1.000 1.000 CB 0.777 6 residues pruned to eliminate duplicates Z: 24 28.748 1.934 0.674 0.869 1.000 0.783 CB 1.353 30 residues pruned to eliminate duplicates Z: 11 9.583 1.720 0.431 0.683 0.800 0.800 N 1.300 11 residues pruned to eliminate duplicates Z: 11 11.032 1.882 0.190 0.898 1.000 0.900 CB 1.114 11 residues pruned to eliminate duplicates Z: 8 7.148 1.552 0.616 0.448 1.000 0.714 CA 1.136 7 residues pruned to eliminate duplicates Z: 11 8.692 1.854 0.733 0.441 0.700 0.400 CA 1.298 11 residues pruned to eliminate duplicates Z: 12 14.589 1.879 0.928 0.538 0.909 0.636 CB 1.287 12 residues pruned to eliminate duplicates Z: 30 25.142 2.046 0.506 0.631 0.931 0.586 CB 1.439 30 residues pruned to eliminate duplicates Z: 22 15.430 1.952 0.586 0.443 0.905 0.619 CA 1.275 22 residues pruned to eliminate duplicates Z: 23 22.876 2.043 0.345 0.884 1.000 0.864 CA 1.282 23 residues pruned to eliminate duplicates Z: 24 27.191 2.033 0.565 0.866 1.000 0.870 CA 1.305 24 residues pruned to eliminate duplicates Z: 13 4.640 1.502 0.392 0.294 0.833 0.333 CA 0.968 Z: 12 10.676 1.893 0.395 0.651 1.000 0.636 CB 1.060 12 residues pruned to eliminate duplicates Z: 14 14.614 1.802 0.529 0.817 1.000 0.846 CB 1.117 14 residues pruned to eliminate duplicates Z: 7 4.513 1.612 0.708 0.364 0.667 0.167 CB 1.162 Z: 24 13.118 1.972 0.693 0.318 0.826 0.522 CB 1.213 24 residues pruned to eliminate duplicates Z: 20 9.675 1.765 0.368 0.425 0.842 0.421 CB 1.181 20 residues pruned to eliminate duplicates Z: 40 24.315 1.865 0.717 0.507 0.949 0.641 CB 1.271 39 residues pruned to eliminate duplicates Z: 7 4.094 1.749 -0.038 0.482 1.000 0.667 CB 1.012 7 residues pruned to eliminate duplicates Z: 10 11.019 1.854 0.605 0.605 1.000 0.667 CA 1.117 10 residues pruned to eliminate duplicates Z: 8 4.711 1.616 0.172 0.675 0.857 0.571 CB 0.934 Z: 7 8.421 1.520 0.414 0.776 1.000 0.667 CA 1.254 Z: 16 16.159 1.974 0.546 0.605 0.933 0.667 CA 1.325 16 residues pruned to eliminate duplicates Z: 22 34.104 2.061 0.807 0.904 0.952 0.714 CA 1.495 22 residues pruned to eliminate duplicates Z: 20 15.341 1.819 0.459 0.672 0.842 0.684 CB 1.344 20 residues pruned to eliminate duplicates Z: 35 18.271 1.822 0.658 0.456 0.853 0.559 CB 1.271 35 residues pruned to eliminate duplicates Z: 8 7.504 1.652 0.356 0.846 1.000 0.857 CB 0.941 8 residues pruned to eliminate duplicates Z: 45 28.637 1.927 0.530 0.734 0.909 0.705 CB 1.305 50 residues pruned to eliminate duplicates Z: 11 8.512 1.864 0.724 0.460 0.800 0.500 CB 1.091 11 residues pruned to eliminate duplicates Z: 6 2.264 1.532 0.865 0.794 0.800 0.600 CB 0.342 Z: 14 15.304 1.809 0.436 0.871 1.000 1.000 CA 1.192 14 residues pruned to eliminate duplicates Z: 23 25.681 1.915 0.644 0.874 0.955 0.682 CA 1.326 23 residues pruned to eliminate duplicates Z: 11 11.304 1.846 0.757 0.446 1.000 0.400 CB 1.165 11 residues pruned to eliminate duplicates Z: 10 17.875 2.108 0.642 0.920 1.000 1.000 CB 1.212 10 residues pruned to eliminate duplicates Z: 7 5.583 1.686 0.333 0.794 0.833 0.667 CB 0.940 7 residues pruned to eliminate duplicates Z: 13 18.192 1.838 0.726 0.880 0.917 0.667 CB 1.309 13 residues pruned to eliminate duplicates Z: 10 5.154 1.572 0.216 0.442 1.000 0.444 CB 0.954 Z: 19 17.007 1.807 0.455 0.675 1.000 0.611 CB 1.297 19 residues pruned to eliminate duplicates Z: 12 11.296 1.772 0.858 0.499 0.909 0.727 CB 1.139 12 residues pruned to eliminate duplicates Z: 6 3.661 1.693 -0.129 0.798 1.000 0.800 CB 0.856 Z: 12 13.780 1.665 0.420 0.853 1.000 0.727 CA 1.298 12 residues pruned to eliminate duplicates Z: 23 28.156 2.073 0.643 0.888 0.955 0.727 CA 1.330 23 residues pruned to eliminate duplicates Z: 13 18.473 1.982 0.517 0.906 1.000 0.917 CA 1.261 13 residues pruned to eliminate duplicates Z: 11 21.905 2.016 1.063 0.904 1.000 0.800 CB 1.186 11 residues pruned to eliminate duplicates Z: 8 3.610 1.720 0.430 0.439 0.714 0.714 CB 0.828 Z: 8 2.275 1.514 0.281 0.332 0.714 0.571 CB 0.746 Z: 26 33.041 2.101 0.891 0.603 0.960 0.600 CB 1.571 26 residues pruned to eliminate duplicates Z: 6 7.245 1.756 0.433 0.770 0.800 0.400 CA 1.268 6 residues pruned to eliminate duplicates Z: 11 8.551 1.565 0.398 0.825 0.900 0.800 CB 1.037 Z: 10 7.627 1.606 0.475 0.511 1.000 0.444 CB 1.062 Z: 23 22.845 1.953 0.433 0.873 1.000 0.909 CA 1.267 23 residues pruned to eliminate duplicates Z: 22 25.112 1.852 0.790 0.876 0.905 0.619 CB 1.328 22 residues pruned to eliminate duplicates Z: 18 16.620 2.055 0.762 0.330 0.882 0.353 CB 1.520 18 residues pruned to eliminate duplicates Z: 22 21.779 1.954 0.721 0.858 0.905 0.476 CB 1.151 22 residues pruned to eliminate duplicates Z: 23 24.907 1.958 0.617 0.866 0.864 0.591 CB 1.422 23 residues pruned to eliminate duplicates Z: 6 8.425 1.640 0.491 0.818 1.000 0.600 CA 1.169 6 residues pruned to eliminate duplicates Z: 13 23.516 1.871 1.006 0.871 0.917 0.583 CA 1.440 13 residues pruned to eliminate duplicates Z: 15 8.253 1.903 0.328 0.381 0.857 0.500 CB 1.155 15 residues pruned to eliminate duplicates Z: 37 17.050 1.871 0.451 0.438 0.889 0.500 CB 1.255 35 residues pruned to eliminate duplicates Z: 12 10.887 1.902 0.319 0.486 0.909 0.636 CA 1.460 12 residues pruned to eliminate duplicates Z: 12 20.172 2.109 0.761 0.821 1.000 0.727 CA 1.240 12 residues pruned to eliminate duplicates Z: 13 16.102 1.871 0.619 0.863 1.000 0.833 CB 1.126 13 residues pruned to eliminate duplicates Z: 14 9.810 1.799 0.404 0.531 0.923 0.462 CB 1.132 16 residues pruned to eliminate duplicates Z: 10 15.723 2.066 0.416 0.924 1.000 1.000 CB 1.259 10 residues pruned to eliminate duplicates Z: 13 9.067 1.637 0.348 0.538 0.917 0.667 CB 1.246 11 residues pruned to eliminate duplicates Z: 42 30.608 1.924 0.788 0.556 0.951 0.634 CA 1.383 43 residues pruned to eliminate duplicates Z: 7 3.675 1.365 0.465 0.384 1.000 0.500 C 0.849 Z: 14 22.963 1.738 0.815 0.858 1.000 0.923 CA 1.487 14 residues pruned to eliminate duplicates Z: 6 9.765 1.842 0.287 0.817 1.000 0.400 CB 1.399 6 residues pruned to eliminate duplicates Z: 8 9.316 1.742 0.474 0.864 1.000 1.000 CB 1.005 8 residues pruned to eliminate duplicates Z: 37 21.130 1.925 0.616 0.460 0.944 0.611 CB 1.249 36 residues pruned to eliminate duplicates Z: 23 26.073 1.908 0.722 0.873 0.955 0.682 CA 1.291 23 residues pruned to eliminate duplicates Z: 43 33.260 2.086 0.888 0.558 0.881 0.429 CB 1.398 43 residues pruned to eliminate duplicates Z: 14 18.211 1.736 0.671 0.927 1.000 0.846 CB 1.220 14 residues pruned to eliminate duplicates Z: 11 10.801 1.933 0.715 0.459 0.800 0.600 CB 1.343 11 residues pruned to eliminate duplicates Z: 11 16.487 1.848 0.692 0.898 1.000 0.700 CB 1.193 11 residues pruned to eliminate duplicates Z: 7 3.272 1.673 0.695 0.810 0.667 0.500 CB 0.539 6 residues pruned to eliminate duplicates Z: 38 17.966 1.885 0.577 0.396 0.946 0.514 CB 1.172 38 residues pruned to eliminate duplicates Z: 12 15.313 1.601 0.715 0.803 1.000 0.455 CA 1.291 12 residues pruned to eliminate duplicates Z: 6 3.325 1.465 0.995 0.415 0.800 0.600 CB 0.695 Z: 7 9.051 1.768 0.486 0.836 1.000 0.667 CB 1.053 7 residues pruned to eliminate duplicates Z: 39 22.440 1.845 0.643 0.548 0.947 0.684 CB 1.210 34 residues pruned to eliminate duplicates Z: 15 18.997 1.759 0.683 0.849 1.000 0.857 CA 1.272 15 residues pruned to eliminate duplicates Z: 9 10.907 1.634 0.617 0.798 0.875 0.500 CB 1.285 9 residues pruned to eliminate duplicates Z: 9 8.760 1.763 0.230 0.696 1.000 0.625 CA 1.194 9 residues pruned to eliminate duplicates Z: 16 17.792 2.052 0.261 0.915 1.000 0.933 CA 1.254 16 residues pruned to eliminate duplicates Z: 23 29.565 2.058 0.605 0.888 1.000 0.864 CB 1.375 23 residues pruned to eliminate duplicates Z: 12 12.618 1.715 0.458 0.890 0.909 0.455 CB 1.204 12 residues pruned to eliminate duplicates Z: 25 27.117 1.997 0.629 0.829 0.958 0.875 CA 1.336 25 residues pruned to eliminate duplicates Z: 13 13.129 1.506 0.544 0.861 1.000 0.833 CA 1.197 11 residues pruned to eliminate duplicates Z: 12 9.233 1.578 0.673 0.751 0.909 0.636 CB 0.927 6 residues pruned to eliminate duplicates Z: 10 7.058 1.757 0.285 0.648 0.778 0.444 CA 1.167 10 residues pruned to eliminate duplicates Z: 7 7.511 1.729 0.412 0.677 1.000 0.833 CB 1.067 8 residues pruned to eliminate duplicates Z: 7 2.807 1.614 0.728 0.245 0.667 0.500 N 0.827 Z: 23 12.889 1.846 0.503 0.408 0.864 0.500 CB 1.263 23 residues pruned to eliminate duplicates Z: 12 8.620 1.702 0.162 0.644 1.000 0.727 CB 1.149 12 residues pruned to eliminate duplicates Z: 31 20.228 1.923 0.573 0.481 0.933 0.567 CA 1.334 31 residues pruned to eliminate duplicates Z: 43 31.871 1.920 0.782 0.608 0.976 0.595 CB 1.328 43 residues pruned to eliminate duplicates Z: 23 26.682 1.916 0.614 0.906 0.955 0.818 CA 1.371 23 residues pruned to eliminate duplicates Z: 23 27.520 2.025 0.490 0.890 1.000 0.909 CB 1.399 23 residues pruned to eliminate duplicates 6 1.541 1.362 0.297 0.100 0.800 0.600 CB 0.813 ? Z: 38 12.415 1.763 0.510 0.382 0.784 0.514 CB 1.110 38 residues pruned to eliminate duplicates Z: 42 28.605 2.019 0.804 0.480 0.951 0.512 CB 1.316 42 residues pruned to eliminate duplicates Z: 34 12.829 1.605 0.565 0.434 0.970 0.667 CB 0.981 Z: 9 4.207 1.519 0.870 0.414 0.750 0.500 N 0.764 Z: 23 34.503 2.024 1.158 0.890 1.000 0.409 CB 1.211 23 residues pruned to eliminate duplicates Z: 13 34.299 2.114 1.445 0.878 1.000 0.583 CA 1.390 13 residues pruned to eliminate duplicates Z: 8 8.360 1.646 0.693 0.687 0.714 0.429 CA 1.336 8 residues pruned to eliminate duplicates Z: 11 10.647 1.651 0.602 0.830 0.900 0.800 CB 1.063 11 residues pruned to eliminate duplicates Z: 22 20.984 2.039 0.373 0.864 0.952 0.857 CA 1.259 22 residues pruned to eliminate duplicates Z: 24 22.553 2.106 0.360 0.826 0.957 0.913 CA 1.294 24 residues pruned to eliminate duplicates Z: 13 23.369 2.037 1.041 0.884 1.000 1.000 CA 1.173 13 residues pruned to eliminate duplicates Z: 72 34.899 1.962 0.631 0.579 0.958 0.592 CB 1.252 72 residues pruned to eliminate duplicates 6 1.898 1.517 0.075 0.367 0.800 0.400 CB 0.750 ? Z: 13 11.958 1.819 0.614 0.576 0.917 0.750 CB 1.192 12 residues pruned to eliminate duplicates Z: 37 28.221 1.953 0.535 0.754 1.000 0.806 CA 1.251 36 residues pruned to eliminate duplicates Z: 27 12.349 1.779 0.464 0.365 0.808 0.423 CB 1.332 15 residues pruned to eliminate duplicates Z: 22 23.440 1.877 0.586 0.890 1.000 0.810 CA 1.236 22 residues pruned to eliminate duplicates Z: 23 28.128 1.974 0.726 0.827 1.000 0.545 CB 1.327 23 residues pruned to eliminate duplicates Z: 9 7.902 1.547 0.356 0.642 1.000 0.625 CB 1.166 11 residues pruned to eliminate duplicates Z: 13 18.662 1.958 0.625 0.864 1.000 0.917 CB 1.241 13 residues pruned to eliminate duplicates Z: 6 2.786 1.620 0.240 0.299 0.800 0.600 CB 0.970 Z: 32 16.590 1.873 0.614 0.414 0.839 0.548 CB 1.285 32 residues pruned to eliminate duplicates Z: 6 6.803 1.673 0.276 0.791 1.000 0.800 CB 1.104 6 residues pruned to eliminate duplicates Z: 45 14.831 1.796 0.289 0.439 0.886 0.477 CB 1.160 46 residues pruned to eliminate duplicates Z: 11 15.684 2.015 0.764 0.812 1.000 0.700 CB 1.064 14 residues pruned to eliminate duplicates Z: 40 24.394 1.956 0.525 0.538 0.974 0.667 CB 1.295 40 residues pruned to eliminate duplicates Z: 48 31.572 1.980 0.584 0.661 0.936 0.638 CB 1.351 48 residues pruned to eliminate duplicates Z: 8 4.904 1.574 0.354 0.685 1.000 0.714 CB 0.734 8 residues pruned to eliminate duplicates Z: 7 7.352 1.715 0.918 0.293 0.833 0.500 O 1.380 Z: 36 16.880 1.907 0.540 0.370 0.914 0.629 CB 1.222 35 residues pruned to eliminate duplicates Z: 14 9.728 1.919 0.909 0.320 0.692 0.385 CB 1.297 14 residues pruned to eliminate duplicates Z: 12 12.469 1.645 0.416 0.878 1.000 0.818 CA 1.171 12 residues pruned to eliminate duplicates Z: 17 7.877 1.879 0.135 0.395 0.938 0.625 CA 1.101 17 residues pruned to eliminate duplicates Z: 13 9.221 1.505 0.274 0.693 0.917 0.667 CA 1.269 13 residues pruned to eliminate duplicates Z: 35 22.320 1.941 0.564 0.474 0.941 0.529 CB 1.376 35 residues pruned to eliminate duplicates Z: 43 27.850 2.058 0.913 0.511 0.810 0.476 CB 1.333 43 residues pruned to eliminate duplicates Z: 23 27.427 1.949 0.754 0.867 0.955 0.636 CB 1.311 23 residues pruned to eliminate duplicates Z: 13 20.331 1.900 0.897 0.808 1.000 0.750 CA 1.245 13 residues pruned to eliminate duplicates Z: 12 12.349 1.799 0.475 0.547 1.000 0.636 CA 1.340 7 residues pruned to eliminate duplicates Z: 52 35.291 1.929 0.693 0.687 0.941 0.647 CB 1.355 52 residues pruned to eliminate duplicates Z: 14 5.938 1.668 0.395 0.453 0.769 0.462 CB 0.965 Z: 8 5.712 1.400 0.630 0.770 0.857 0.714 CA 0.870 8 residues pruned to eliminate duplicates Z: 12 9.892 1.943 0.432 0.367 1.000 0.727 CB 1.236 12 residues pruned to eliminate duplicates Z: 15 6.695 1.808 0.218 0.367 0.857 0.571 CB 1.093 15 residues pruned to eliminate duplicates Z: 40 26.971 2.019 0.652 0.495 0.923 0.615 CA 1.410 41 residues pruned to eliminate duplicates Z: 25 19.323 1.965 0.466 0.505 0.917 0.625 CA 1.486 25 residues pruned to eliminate duplicates Z: 8 7.262 1.671 0.835 0.742 0.714 0.429 CA 1.009 8 residues pruned to eliminate duplicates Z: 25 15.141 1.736 0.600 0.554 0.958 0.542 CB 1.102 20 residues pruned to eliminate duplicates Z: 23 28.064 2.061 0.528 0.867 1.000 0.864 CA 1.390 23 residues pruned to eliminate duplicates Z: 12 14.148 1.748 0.377 0.898 1.000 1.000 CB 1.268 12 residues pruned to eliminate duplicates Z: 10 4.196 1.509 0.504 0.264 0.778 0.333 CB 1.038 Z: 35 19.568 1.910 0.478 0.527 0.912 0.765 CB 1.270 35 residues pruned to eliminate duplicates Z: 40 18.575 1.804 0.589 0.508 0.846 0.615 CB 1.217 42 residues pruned to eliminate duplicates Z: 8 7.036 1.583 0.784 0.520 0.714 0.571 N 1.292 8 residues pruned to eliminate duplicates 6 1.819 1.552 -0.379 0.482 0.800 0.600 CB 1.073 ? Z: 7 6.530 1.809 0.330 0.397 1.000 0.833 CB 1.234 6 residues pruned to eliminate duplicates Z: 16 11.131 1.691 0.792 0.443 0.867 0.733 CB 1.161 16 residues pruned to eliminate duplicates Z: 6 4.934 1.694 1.253 0.851 1.000 0.600 CB 0.428 Z: 9 14.699 1.770 0.630 0.904 1.000 0.750 CB 1.284 12 residues pruned to eliminate duplicates Z: 9 6.040 1.563 0.296 0.581 0.875 0.500 CB 1.114 9 residues pruned to eliminate duplicates Z: 15 14.903 1.826 0.412 0.835 1.000 0.857 CA 1.157 15 residues pruned to eliminate duplicates Z: 10 12.873 1.725 0.381 0.875 1.000 0.889 CA 1.310 10 residues pruned to eliminate duplicates Z: 12 24.433 1.936 1.190 0.893 1.000 0.909 CB 1.247 11 residues pruned to eliminate duplicates Z: 8 8.575 1.626 0.822 0.712 0.714 0.571 CA 1.263 8 residues pruned to eliminate duplicates Z: 10 4.266 1.479 0.605 0.470 0.667 0.333 N 0.926 10 residues pruned to eliminate duplicates Z: 12 13.074 1.865 0.668 0.509 1.000 0.818 CA 1.256 12 residues pruned to eliminate duplicates Z: 13 17.987 1.819 0.776 0.873 1.000 0.750 CB 1.171 13 residues pruned to eliminate duplicates Z: 7 13.880 1.849 0.675 0.845 1.000 0.833 CB 1.360 7 residues pruned to eliminate duplicates Z: 34 17.948 1.855 0.558 0.444 0.909 0.606 CB 1.259 34 residues pruned to eliminate duplicates Z: 28 23.286 2.015 0.529 0.519 0.963 0.556 CB 1.482 28 residues pruned to eliminate duplicates Z: 10 7.946 1.689 0.124 0.604 1.000 0.444 CB 1.264 10 residues pruned to eliminate duplicates Z: 24 11.217 1.698 0.383 0.422 0.913 0.696 CB 1.184 24 residues pruned to eliminate duplicates Z: 6 8.312 1.690 0.636 0.661 1.000 0.800 CB 1.158 6 residues pruned to eliminate duplicates Z: 43 33.606 2.055 0.888 0.534 0.929 0.524 CB 1.391 42 residues pruned to eliminate duplicates Z: 43 20.662 1.851 0.457 0.621 0.952 0.524 CB 1.107 43 residues pruned to eliminate duplicates Z: 11 15.995 2.014 0.789 0.891 0.900 0.900 CB 1.121 11 residues pruned to eliminate duplicates Z: 13 11.872 1.691 0.295 0.812 0.917 0.750 CA 1.302 13 residues pruned to eliminate duplicates Z: 6 3.404 1.662 0.255 0.505 0.800 0.600 CB 0.907 Z: 7 2.239 1.283 0.261 0.442 0.667 0.500 N 0.899 Z: 13 5.107 1.570 0.077 0.389 0.917 0.583 CB 1.070 13 residues pruned to eliminate duplicates Z: 22 29.189 1.971 0.841 0.880 0.952 0.667 CB 1.336 22 residues pruned to eliminate duplicates Z: 22 35.850 2.025 0.904 0.910 1.000 0.524 CA 1.438 22 residues pruned to eliminate duplicates Z: 9 7.359 1.673 0.496 0.509 0.875 0.625 N 1.178 9 residues pruned to eliminate duplicates Z: 12 10.236 1.784 0.545 0.660 0.909 0.818 CA 1.062 12 residues pruned to eliminate duplicates Z: 12 14.366 1.715 0.481 0.918 1.000 0.909 CB 1.203 12 residues pruned to eliminate duplicates Z: 35 31.266 1.991 0.730 0.705 0.971 0.647 CA 1.331 38 residues pruned to eliminate duplicates Z: 11 20.317 1.985 1.024 0.890 1.000 0.700 CB 1.150 11 residues pruned to eliminate duplicates Z: 6 3.491 1.372 0.209 0.413 1.000 0.600 C 1.031 6 residues pruned to eliminate duplicates Z: 7 2.118 1.467 -0.038 0.389 0.833 0.333 CB 0.828 Z: 7 6.973 1.486 0.414 0.826 1.000 0.833 CB 1.021 Z: 11 15.237 1.894 0.545 0.889 1.000 0.900 CB 1.186 8 residues pruned to eliminate duplicates Z: 7 5.901 1.829 0.518 0.331 0.833 0.500 CA 1.254 7 residues pruned to eliminate duplicates Z: 42 24.105 1.982 0.556 0.543 0.927 0.610 CA 1.263 42 residues pruned to eliminate duplicates Z: 13 8.020 1.936 0.112 0.651 0.917 0.583 CB 1.019 13 residues pruned to eliminate duplicates Z: 24 37.217 2.006 1.093 0.884 0.957 0.565 CA 1.397 24 residues pruned to eliminate duplicates Z: 21 27.323 2.017 0.726 0.867 0.950 0.750 CA 1.351 21 residues pruned to eliminate duplicates Z: 8 3.065 1.713 0.178 0.318 0.857 0.286 CB 0.819 Z: 6 5.014 1.513 0.800 0.383 0.800 0.400 O 1.166 Z: 7 6.806 1.676 0.579 0.686 1.000 0.833 CB 0.885 Z: 7 3.194 1.501 0.541 0.564 0.667 0.500 CB 0.795 7 residues pruned to eliminate duplicates Z: 30 22.520 2.011 0.429 0.509 0.966 0.621 CB 1.493 30 residues pruned to eliminate duplicates Z: 11 10.889 1.782 0.636 0.387 1.000 0.800 CA 1.332 15 residues pruned to eliminate duplicates Z: 11 5.710 1.703 0.756 0.277 0.700 0.600 CB 1.110 Z: 13 12.680 1.815 0.408 0.819 1.000 0.750 CB 1.086 13 residues pruned to eliminate duplicates Z: 7 4.411 1.610 0.514 0.473 0.667 0.500 CA 1.140 7 residues pruned to eliminate duplicates Z: 35 32.479 2.011 0.725 0.644 1.000 0.735 CA 1.404 35 residues pruned to eliminate duplicates Z: 67 34.640 1.942 0.573 0.621 0.909 0.652 CB 1.370 63 residues pruned to eliminate duplicates Z: 13 10.629 1.771 0.715 0.709 0.750 0.667 CB 1.114 13 residues pruned to eliminate duplicates Z: 22 21.467 1.844 0.780 0.838 0.810 0.571 CB 1.318 22 residues pruned to eliminate duplicates Z: 6 3.156 1.255 0.675 0.332 1.000 0.800 CA 0.807 Z: 20 14.342 1.888 0.601 0.561 0.895 0.579 CB 1.147 20 residues pruned to eliminate duplicates Z: 6 9.120 1.581 0.917 0.821 0.800 0.800 CA 1.273 6 residues pruned to eliminate duplicates Z: 18 11.268 1.866 0.545 0.359 0.765 0.529 CA 1.444 18 residues pruned to eliminate duplicates Z: 8 5.316 1.705 0.436 0.363 0.857 0.714 CB 1.109 8 residues pruned to eliminate duplicates Z: 12 8.960 1.839 0.564 0.460 0.727 0.636 CA 1.346 12 residues pruned to eliminate duplicates Z: 10 11.161 1.637 0.344 0.886 1.000 0.556 CA 1.220 10 residues pruned to eliminate duplicates Z: 23 20.244 1.934 0.314 0.851 0.955 0.773 CA 1.316 23 residues pruned to eliminate duplicates Z: 19 8.330 1.806 0.396 0.367 0.889 0.500 CB 1.011 19 residues pruned to eliminate duplicates Z: 6 3.727 1.494 0.075 0.273 1.000 0.400 CB 1.343 Z: 6 3.128 1.485 0.458 0.502 0.600 0.600 N 1.075 Z: 19 9.805 1.840 0.389 0.338 0.833 0.500 CA 1.295 19 residues pruned to eliminate duplicates Z: 14 15.747 1.965 0.476 0.608 0.923 0.615 CB 1.472 14 residues pruned to eliminate duplicates Z: 17 9.316 1.545 0.417 0.619 0.875 0.688 CA 1.086 17 residues pruned to eliminate duplicates Z: 26 8.204 1.786 0.268 0.304 0.920 0.600 CB 0.980 33 residues pruned to eliminate duplicates Z: 18 13.344 1.918 0.385 0.600 0.941 0.706 CB 1.177 18 residues pruned to eliminate duplicates Z: 12 11.246 1.672 0.377 0.833 0.909 0.727 CB 1.215 12 residues pruned to eliminate duplicates Z: 10 7.545 1.869 0.455 0.364 0.889 0.556 CA 1.204 10 residues pruned to eliminate duplicates Z: 45 22.851 1.830 0.690 0.519 0.932 0.614 CB 1.173 43 residues pruned to eliminate duplicates Z: 43 32.329 2.059 0.772 0.481 0.905 0.619 CB 1.541 43 residues pruned to eliminate duplicates Z: 25 13.293 1.827 0.335 0.643 0.833 0.750 CA 1.168 25 residues pruned to eliminate duplicates 7 1.422 1.497 0.041 0.471 0.667 0.667 CB 0.576 ? Z: 25 18.501 1.994 0.626 0.406 0.917 0.458 CB 1.402 23 residues pruned to eliminate duplicates Z: 10 12.932 1.829 0.207 0.897 1.000 1.000 CB 1.397 10 residues pruned to eliminate duplicates Z: 6 7.208 1.387 1.073 0.568 1.000 0.400 CA 1.050 Z: 16 10.585 1.805 0.199 0.613 0.933 0.733 CB 1.216 16 residues pruned to eliminate duplicates Z: 35 26.534 2.072 0.868 0.477 0.882 0.559 CB 1.365 35 residues pruned to eliminate duplicates Z: 17 14.969 1.914 0.624 0.356 0.938 0.500 CA 1.500 17 residues pruned to eliminate duplicates Z: 42 36.450 2.109 0.964 0.504 0.902 0.488 CB 1.517 41 residues pruned to eliminate duplicates Z: 23 12.447 1.762 0.409 0.515 0.909 0.682 CB 1.158 23 residues pruned to eliminate duplicates Z: 21 15.349 1.772 0.458 0.507 0.950 0.550 N 1.388 21 residues pruned to eliminate duplicates Z: 9 6.233 1.806 0.755 0.503 0.875 0.750 CB 0.792 9 residues pruned to eliminate duplicates Z: 20 10.498 1.805 0.383 0.367 0.842 0.526 CB 1.322 20 residues pruned to eliminate duplicates Z: 20 11.377 1.847 0.455 0.446 0.895 0.579 CB 1.148 20 residues pruned to eliminate duplicates Z: 41 33.587 2.115 0.862 0.462 0.950 0.475 CB 1.475 41 residues pruned to eliminate duplicates Z: 44 31.777 2.014 0.781 0.575 0.953 0.558 CA 1.318 44 residues pruned to eliminate duplicates Z: 25 11.487 1.769 0.387 0.485 0.833 0.458 CA 1.165 25 residues pruned to eliminate duplicates Z: 20 24.667 2.017 0.479 0.894 0.947 0.789 CB 1.436 20 residues pruned to eliminate duplicates Z: 8 9.852 1.749 0.371 0.869 1.000 0.714 CB 1.134 8 residues pruned to eliminate duplicates Z: 6 3.792 1.693 0.024 0.748 1.000 1.000 CB 0.783 Z: 6 2.554 1.555 -0.146 0.518 0.800 0.800 CB 1.055 6 residues pruned to eliminate duplicates Z: 11 12.546 1.693 0.780 0.891 0.900 0.700 CB 1.051 11 residues pruned to eliminate duplicates Z: 8 6.313 1.758 0.524 0.688 0.857 0.857 CB 0.875 7 1.818 1.310 0.020 0.350 0.833 0.333 N 0.784 ? Z: 12 9.046 1.859 0.572 0.424 0.818 0.364 CA 1.235 12 residues pruned to eliminate duplicates Z: 15 16.384 1.778 0.553 0.768 1.000 0.571 CA 1.251 15 residues pruned to eliminate duplicates Z: 47 31.950 1.969 0.752 0.642 0.913 0.761 CB 1.310 47 residues pruned to eliminate duplicates Z: 11 19.570 1.939 0.754 0.880 1.000 1.000 CB 1.319 11 residues pruned to eliminate duplicates Z: 15 10.396 1.607 0.741 0.471 0.857 0.714 CB 1.193 15 residues pruned to eliminate duplicates Z: 6 2.324 1.390 0.827 0.339 0.400 0.400 CA 1.219 6 0.540 1.181 0.466 0.300 0.800 0.400 CB 0.218 ? Z: 46 34.277 2.034 0.745 0.599 0.933 0.689 CA 1.404 46 residues pruned to eliminate duplicates Z: 8 6.113 1.468 0.575 0.636 0.857 0.571 CB 1.026 8 residues pruned to eliminate duplicates Z: 12 12.925 1.669 0.343 0.820 1.000 0.455 CA 1.317 10 residues pruned to eliminate duplicates Z: 9 6.797 1.482 0.656 0.819 0.875 0.500 CB 0.848 Z: 7 6.933 1.759 0.565 0.660 0.833 0.667 CB 1.065 Z: 16 11.343 1.886 0.581 0.447 0.800 0.467 CB 1.297 26 residues pruned to eliminate duplicates Z: 11 10.305 1.595 0.796 0.817 0.900 0.500 CB 0.960 11 residues pruned to eliminate duplicates Z: 20 11.895 1.824 0.507 0.562 0.895 0.421 CB 1.045 20 residues pruned to eliminate duplicates Z: 42 29.530 1.970 0.777 0.472 0.902 0.537 CB 1.502 43 residues pruned to eliminate duplicates Z: 13 9.214 1.869 0.526 0.484 0.833 0.333 CB 1.138 13 residues pruned to eliminate duplicates Z: 34 13.358 1.638 0.578 0.427 0.909 0.606 CB 1.067 33 residues pruned to eliminate duplicates Z: 39 23.778 1.974 0.773 0.446 0.868 0.526 CB 1.341 39 residues pruned to eliminate duplicates Z: 7 5.586 1.449 0.384 0.745 1.000 0.833 CA 0.913 Z: 12 7.447 1.677 0.392 0.443 0.818 0.636 CB 1.248 9 residues pruned to eliminate duplicates Z: 40 26.180 1.917 0.651 0.543 0.949 0.667 CB 1.338 41 residues pruned to eliminate duplicates Z: 13 11.641 1.539 0.698 0.815 0.917 0.333 CB 1.067 13 residues pruned to eliminate duplicates Z: 7 2.682 1.565 0.175 0.288 0.667 0.667 CB 1.133 Z: 14 16.375 1.808 0.489 0.866 0.923 0.615 CB 1.338 14 residues pruned to eliminate duplicates Z: 37 30.799 1.995 0.712 0.597 0.917 0.694 CB 1.494 37 residues pruned to eliminate duplicates Z: 8 6.425 1.669 0.229 0.602 0.857 0.714 CB 1.253 8 residues pruned to eliminate duplicates Z: 29 11.646 1.824 0.346 0.401 0.893 0.536 CB 1.115 29 residues pruned to eliminate duplicates Z: 11 13.515 1.736 0.342 0.887 1.000 0.900 CA 1.323 11 residues pruned to eliminate duplicates Z: 41 31.649 2.062 0.846 0.483 0.900 0.500 CB 1.487 41 residues pruned to eliminate duplicates Z: 23 25.897 1.990 0.395 0.862 1.000 0.864 CB 1.460 23 residues pruned to eliminate duplicates Z: 9 2.957 1.292 0.681 0.475 0.875 0.625 CB 0.564 9 residues pruned to eliminate duplicates Z: 12 14.183 1.947 0.644 0.550 0.909 0.727 CB 1.399 12 residues pruned to eliminate duplicates Z: 9 5.629 1.368 0.401 0.748 1.000 1.000 CB 0.832 9 residues pruned to eliminate duplicates Z: 9 2.995 1.669 0.339 0.188 0.625 0.500 CB 1.101 9 residues pruned to eliminate duplicates Z: 6 5.761 1.514 0.720 0.775 1.000 0.800 CB 0.776 5 residues pruned to eliminate duplicates Z: 7 9.225 1.650 0.434 0.723 1.000 0.333 CB 1.302 7 residues pruned to eliminate duplicates Z: 8 7.612 1.817 0.273 0.494 1.000 0.429 CB 1.251 8 residues pruned to eliminate duplicates Z: 6 4.176 1.817 -0.030 0.415 1.000 0.800 CB 1.158 Z: 41 16.861 1.833 0.365 0.431 0.900 0.525 CB 1.271 41 residues pruned to eliminate duplicates Z: 22 20.256 1.842 0.426 0.888 1.000 0.810 CB 1.213 22 residues pruned to eliminate duplicates Z: 13 13.175 1.933 0.474 0.857 0.917 0.750 CB 1.073 13 residues pruned to eliminate duplicates Z: 10 4.260 1.606 0.340 0.645 1.000 0.556 CB 0.577 Z: 8 13.534 1.609 0.927 0.769 1.000 0.429 CA 1.300 8 residues pruned to eliminate duplicates Z: 83 45.788 1.994 0.711 0.605 0.939 0.659 CB 1.429 87 residues pruned to eliminate duplicates Z: 14 8.418 1.693 0.426 0.574 0.769 0.462 CB 1.171 14 residues pruned to eliminate duplicates Z: 14 12.487 1.606 0.458 0.798 0.923 0.462 CB 1.235 14 residues pruned to eliminate duplicates Z: 9 10.030 1.672 0.459 0.872 0.875 0.750 CB 1.212 9 residues pruned to eliminate duplicates Z: 6 6.930 1.411 0.603 0.797 1.000 1.000 CB 1.056 6 residues pruned to eliminate duplicates 6 1.565 1.458 0.398 0.292 0.600 0.400 CA 0.723 ? Z: 6 4.082 1.647 0.327 0.472 0.800 0.400 N 1.075 Z: 6 2.676 1.336 0.587 0.462 0.800 0.600 CA 0.733 Z: 7 3.659 1.244 0.897 0.617 0.833 0.500 N 0.680 Z: 29 19.891 1.906 0.685 0.407 0.929 0.536 CA 1.390 29 residues pruned to eliminate duplicates Z: 34 26.033 2.059 0.807 0.373 0.909 0.455 CB 1.535 33 residues pruned to eliminate duplicates Z: 32 28.931 2.057 0.813 0.543 0.903 0.677 CA 1.479 32 residues pruned to eliminate duplicates Z: 6 7.610 1.658 0.335 0.640 1.000 0.600 O 1.348 6 residues pruned to eliminate duplicates Z: 21 12.093 1.881 0.401 0.378 0.850 0.550 CB 1.375 21 residues pruned to eliminate duplicates Z: 19 9.847 1.875 0.499 0.319 0.778 0.500 CB 1.297 19 residues pruned to eliminate duplicates Z: 53 22.480 1.934 0.542 0.397 0.846 0.519 CB 1.377 87 residues pruned to eliminate duplicates Z: 6 5.589 1.573 0.713 0.698 0.800 0.800 CA 0.968 7 residues pruned to eliminate duplicates Z: 13 12.251 1.522 0.521 0.837 1.000 0.833 CA 1.143 13 residues pruned to eliminate duplicates Z: 37 24.324 1.940 0.625 0.563 0.917 0.639 CB 1.320 37 residues pruned to eliminate duplicates Z: 13 5.825 1.433 0.391 0.426 0.917 0.417 CA 0.994 Z: 20 16.137 1.960 0.096 0.908 1.000 0.842 CA 1.224 20 residues pruned to eliminate duplicates Z: 11 18.874 1.936 0.770 0.903 1.000 1.000 CB 1.242 11 residues pruned to eliminate duplicates Z: 13 9.918 1.684 1.177 0.419 0.833 0.583 CB 1.020 7 residues pruned to eliminate duplicates Z: 79 28.622 1.785 0.500 0.562 0.974 0.590 CB 1.170 79 residues pruned to eliminate duplicates Z: 12 14.718 1.956 0.765 0.889 0.909 0.818 CB 1.018 12 residues pruned to eliminate duplicates Z: 13 20.274 1.829 0.931 0.882 1.000 0.667 CA 1.199 13 residues pruned to eliminate duplicates Z: 45 26.406 1.999 0.413 0.579 0.955 0.659 CB 1.368 45 residues pruned to eliminate duplicates Z: 22 24.435 1.986 0.675 0.832 0.857 0.619 CA 1.404 22 residues pruned to eliminate duplicates Z: 21 17.179 1.907 0.244 0.865 1.000 0.900 CA 1.186 21 residues pruned to eliminate duplicates Z: 23 23.959 2.045 0.359 0.869 1.000 0.909 CA 1.343 23 residues pruned to eliminate duplicates Z: 11 11.746 1.625 0.526 0.810 1.000 0.600 CB 1.143 11 residues pruned to eliminate duplicates Z: 25 12.154 1.644 0.565 0.404 0.958 0.500 CB 1.113 23 residues pruned to eliminate duplicates Z: 14 7.041 1.551 0.489 0.530 0.769 0.462 CB 1.067 16 residues pruned to eliminate duplicates Z: 29 19.624 1.952 0.614 0.451 0.893 0.679 CB 1.386 29 residues pruned to eliminate duplicates Z: 23 30.345 1.963 0.872 0.856 1.000 0.773 CA 1.298 23 residues pruned to eliminate duplicates Z: 8 4.003 1.648 -0.034 0.583 1.000 0.429 CB 0.877 5 residues pruned to eliminate duplicates Z: 12 25.719 2.035 0.970 0.882 0.909 0.636 CB 1.539 12 residues pruned to eliminate duplicates Z: 50 24.108 1.934 0.676 0.525 0.816 0.531 CB 1.270 50 residues pruned to eliminate duplicates Z: 29 21.044 2.006 0.646 0.445 0.929 0.679 CA 1.373 29 residues pruned to eliminate duplicates Z: 6 7.110 1.793 0.470 0.546 1.000 0.800 CA 1.153 Z: 8 6.392 1.586 0.558 0.695 0.857 0.571 CB 0.954 8 residues pruned to eliminate duplicates Z: 7 8.658 1.865 0.510 0.640 1.000 0.667 CB 1.101 7 residues pruned to eliminate duplicates Z: 10 8.421 1.518 0.201 0.909 1.000 0.778 CB 1.092 9 residues pruned to eliminate duplicates Z: 44 25.056 1.909 0.389 0.671 0.953 0.744 CB 1.290 44 residues pruned to eliminate duplicates Z: 85 33.189 1.918 0.560 0.590 0.881 0.595 CB 1.260 85 residues pruned to eliminate duplicates Z: 37 24.895 1.876 0.807 0.517 0.917 0.583 CB 1.313 37 residues pruned to eliminate duplicates Z: 40 21.373 1.919 0.570 0.609 0.846 0.590 CB 1.211 40 residues pruned to eliminate duplicates Z: 13 11.536 1.853 0.444 0.734 0.833 0.583 CA 1.210 13 residues pruned to eliminate duplicates Z: 10 6.821 1.525 0.155 0.682 1.000 0.889 CA 1.092 10 residues pruned to eliminate duplicates Z: 38 16.594 1.707 0.359 0.579 0.892 0.622 CB 1.222 38 residues pruned to eliminate duplicates Z: 7 8.711 1.739 0.332 0.895 1.000 0.833 CA 1.100 7 residues pruned to eliminate duplicates Z: 14 12.052 1.882 0.401 0.647 0.846 0.538 CA 1.306 14 residues pruned to eliminate duplicates Z: 7 4.276 1.699 0.277 0.373 0.833 0.500 CB 1.106 Z: 17 11.127 1.803 0.340 0.592 0.938 0.562 CB 1.125 17 residues pruned to eliminate duplicates Z: 8 2.027 1.552 0.841 0.372 0.571 0.429 CB 0.538 6 1.083 1.597 -0.186 0.636 0.800 0.800 CB 0.410 ? Z: 43 32.787 2.027 0.954 0.531 0.881 0.643 CB 1.406 43 residues pruned to eliminate duplicates Z: 7 7.144 1.524 0.743 0.858 0.833 0.833 CB 0.970 Z: 24 15.055 1.772 0.580 0.510 0.957 0.739 CB 1.161 37 residues pruned to eliminate duplicates Z: 31 14.807 1.667 0.518 0.500 0.933 0.533 CB 1.144 Z: 9 3.308 1.543 1.133 0.185 0.625 0.375 CB 0.830 Z: 8 2.219 1.253 1.009 0.310 0.714 0.429 N 0.576 Z: 12 23.392 1.820 1.130 0.918 1.000 0.909 CB 1.283 12 residues pruned to eliminate duplicates Z: 6 5.451 1.378 0.541 0.542 1.000 0.600 O 1.101 6 residues pruned to eliminate duplicates Z: 7 5.144 1.794 0.364 0.854 1.000 1.000 CB 0.634 7 residues pruned to eliminate duplicates Z: 7 3.555 1.658 0.516 0.308 0.833 0.167 CB 0.858 7 residues pruned to eliminate duplicates Z: 27 20.731 1.946 0.588 0.495 0.885 0.615 CB 1.495 27 residues pruned to eliminate duplicates Z: 6 4.268 1.473 0.662 0.399 1.000 0.400 CB 0.867 6 residues pruned to eliminate duplicates Z: 6 2.792 1.411 0.168 0.576 0.800 0.800 N 0.881 6 residues pruned to eliminate duplicates Z: 27 27.121 2.013 0.780 0.552 0.923 0.577 CA 1.529 27 residues pruned to eliminate duplicates Z: 9 8.398 1.388 0.510 0.827 1.000 0.625 CB 1.068 9 residues pruned to eliminate duplicates Z: 38 21.854 1.975 0.641 0.642 0.892 0.486 CB 1.088 38 residues pruned to eliminate duplicates Z: 7 3.974 1.544 0.111 0.518 0.833 0.667 CB 1.115 Z: 12 20.064 1.959 0.873 0.900 1.000 0.545 CB 1.178 12 residues pruned to eliminate duplicates 7 1.865 1.658 -0.053 0.420 0.833 0.500 CB 0.633 ? Z: 12 11.075 1.618 0.417 0.873 1.000 0.818 CB 1.060 12 residues pruned to eliminate duplicates Z: 8 5.726 1.599 0.781 0.467 1.000 0.571 CB 0.786 Z: 22 27.645 1.998 0.652 0.872 0.952 0.762 CB 1.399 22 residues pruned to eliminate duplicates Z: 40 18.689 1.894 0.449 0.414 0.949 0.692 CB 1.258 40 residues pruned to eliminate duplicates Z: 13 10.880 1.678 0.490 0.539 0.917 0.583 N 1.319 13 residues pruned to eliminate duplicates Z: 7 4.589 1.721 0.494 0.837 1.000 1.000 CB 0.545 7 residues pruned to eliminate duplicates Z: 23 25.009 1.966 1.056 0.510 0.909 0.409 CB 1.436 23 residues pruned to eliminate duplicates Z: 11 5.685 1.508 0.424 0.445 0.800 0.400 CB 1.107 11 residues pruned to eliminate duplicates Z: 6 2.295 1.452 0.585 0.250 1.000 0.200 CB 0.595 Z: 9 2.208 1.662 0.192 0.280 0.750 0.500 CB 0.673 9 residues pruned to eliminate duplicates Z: 20 13.471 1.931 0.486 0.346 0.842 0.316 CA 1.512 20 residues pruned to eliminate duplicates Z: 6 4.460 1.252 0.596 0.735 1.000 0.800 CB 0.808 Z: 7 2.874 1.698 -0.026 0.765 0.833 0.500 CB 0.673 6 residues pruned to eliminate duplicates Z: 6 6.289 1.429 0.598 0.795 1.000 1.000 CA 0.951 6 residues pruned to eliminate duplicates Z: 7 3.905 1.430 1.042 0.448 1.000 0.667 CB 0.576 Z: 17 12.331 1.653 0.549 0.622 0.812 0.500 CB 1.320 17 residues pruned to eliminate duplicates Z: 9 10.379 1.744 0.522 0.798 1.000 0.750 CB 1.065 Z: 6 3.456 1.149 0.403 0.784 1.000 0.800 CA 0.747 Z: 9 6.231 1.588 0.509 0.579 1.000 0.500 CB 0.853 9 residues pruned to eliminate duplicates Z: 33 25.312 1.963 0.817 0.494 0.906 0.812 CB 1.393 33 residues pruned to eliminate duplicates Z: 11 6.412 1.758 0.332 0.452 0.700 0.400 CB 1.300 4 residues pruned to eliminate duplicates Z: 20 11.385 1.832 0.607 0.340 0.842 0.526 CB 1.254 20 residues pruned to eliminate duplicates Z: 24 20.589 1.932 0.356 0.878 1.000 0.913 CA 1.189 24 residues pruned to eliminate duplicates Z: 8 4.403 1.730 0.316 0.536 0.714 0.714 CB 0.988 8 residues pruned to eliminate duplicates Z: 23 29.627 1.978 0.801 0.830 1.000 0.727 CA 1.333 23 residues pruned to eliminate duplicates Z: 12 3.900 1.808 0.515 0.391 0.455 0.364 CB 1.060 12 residues pruned to eliminate duplicates Z: 13 19.715 1.948 0.787 0.844 1.000 0.667 CB 1.217 13 residues pruned to eliminate duplicates Z: 7 4.394 1.606 0.502 0.569 1.000 0.667 CB 0.695 Z: 9 13.733 1.844 0.771 0.640 1.000 0.750 CB 1.304 16 residues pruned to eliminate duplicates Z: 11 11.502 1.592 0.737 0.839 1.000 0.700 CB 0.983 11 residues pruned to eliminate duplicates Z: 27 13.967 1.616 0.413 0.536 0.962 0.500 CA 1.205 33 residues pruned to eliminate duplicates Z: 25 32.931 2.174 0.755 0.632 0.958 0.750 CB 1.624 25 residues pruned to eliminate duplicates Z: 9 3.166 1.373 0.359 0.238 0.875 0.500 N 0.929 Z: 23 25.794 1.989 0.528 0.840 0.955 0.773 CB 1.414 23 residues pruned to eliminate duplicates Z: 15 8.370 1.671 0.319 0.431 0.929 0.714 CB 1.173 15 residues pruned to eliminate duplicates 6 0.560 1.638 0.877 0.797 0.800 0.600 CB 0.079 ? Z: 9 3.479 1.677 0.355 0.264 0.625 0.375 CB 1.133 9 residues pruned to eliminate duplicates Z: 9 6.522 1.645 0.590 0.679 0.875 0.750 CB 0.855 Z: 15 10.695 1.739 0.591 0.609 0.857 0.786 CB 1.087 15 residues pruned to eliminate duplicates Z: 12 27.252 2.157 0.972 0.899 1.000 0.909 CB 1.382 12 residues pruned to eliminate duplicates Z: 6 4.812 1.356 0.170 0.743 1.000 0.800 CB 1.091 Z: 6 5.068 1.549 0.392 0.668 0.800 0.200 CA 1.125 6 residues pruned to eliminate duplicates Z: 19 21.252 1.858 0.772 0.754 1.000 0.778 CA 1.213 19 residues pruned to eliminate duplicates Z: 29 15.496 1.691 0.540 0.558 0.929 0.500 CB 1.145 31 residues pruned to eliminate duplicates Z: 7 13.454 1.814 0.995 0.756 1.000 0.500 CA 1.209 7 residues pruned to eliminate duplicates Z: 14 6.444 1.587 0.549 0.475 0.923 0.538 CB 0.808 12 residues pruned to eliminate duplicates Z: 6 3.076 1.378 0.506 0.387 0.800 0.600 O 0.934 Z: 13 20.300 1.930 0.835 0.865 1.000 0.833 CA 1.212 13 residues pruned to eliminate duplicates Z: 7 6.936 1.401 0.537 0.817 1.000 1.000 CA 0.998 7 residues pruned to eliminate duplicates Z: 16 10.650 1.827 0.341 0.523 0.867 0.667 CB 1.266 16 residues pruned to eliminate duplicates Z: 22 12.569 1.742 0.606 0.464 0.810 0.524 CB 1.256 22 residues pruned to eliminate duplicates Z: 10 4.443 1.564 0.425 0.589 0.667 0.333 CB 0.914 10 residues pruned to eliminate duplicates Z: 11 19.932 2.066 0.561 0.840 1.000 0.500 CB 1.458 11 residues pruned to eliminate duplicates Z: 27 17.595 1.898 0.712 0.592 0.846 0.500 CB 1.150 27 residues pruned to eliminate duplicates Z: 7 9.527 1.733 0.971 0.786 0.667 0.500 CB 1.328 7 residues pruned to eliminate duplicates Z: 14 17.482 1.825 0.915 0.838 0.846 0.538 CB 1.225 14 residues pruned to eliminate duplicates Z: 10 5.142 1.491 0.530 0.801 0.778 0.556 CB 0.743 10 residues pruned to eliminate duplicates Z: 6 3.097 1.514 -0.151 0.650 1.000 0.600 CB 0.937 Z: 36 25.247 1.915 0.568 0.680 0.971 0.686 CB 1.241 36 residues pruned to eliminate duplicates Z: 17 11.263 1.844 0.393 0.411 0.875 0.625 CB 1.376 17 residues pruned to eliminate duplicates Z: 6 3.264 1.725 -0.014 0.732 0.800 0.800 CB 0.871 Z: 36 21.214 1.910 0.490 0.579 0.886 0.714 CB 1.319 36 residues pruned to eliminate duplicates Z: 13 13.259 1.598 0.738 0.817 0.833 0.833 N 1.256 13 residues pruned to eliminate duplicates Z: 21 21.144 2.059 0.334 0.914 0.950 0.950 CA 1.281 21 residues pruned to eliminate duplicates Z: 24 18.956 1.813 0.618 0.550 0.957 0.696 CB 1.341 37 residues pruned to eliminate duplicates Z: 45 25.799 1.933 0.539 0.660 0.864 0.636 CB 1.305 45 residues pruned to eliminate duplicates Z: 43 28.351 2.021 0.647 0.525 0.929 0.714 CB 1.381 43 residues pruned to eliminate duplicates Z: 8 3.393 1.195 -0.019 0.683 1.000 0.286 CA 0.925 Z: 11 13.747 1.724 0.438 0.890 1.000 0.600 CB 1.261 11 residues pruned to eliminate duplicates Z: 12 11.370 1.799 0.925 0.776 0.909 0.545 CB 0.853 12 residues pruned to eliminate duplicates Z: 6 6.388 1.604 0.411 0.761 1.000 0.600 CB 1.001 4 residues pruned to eliminate duplicates Z: 23 25.766 1.990 0.486 0.876 1.000 0.864 CA 1.350 23 residues pruned to eliminate duplicates Z: 25 16.763 1.776 0.429 0.564 0.958 0.750 CA 1.323 24 residues pruned to eliminate duplicates 6 1.906 1.225 -0.039 0.654 0.800 0.600 O 0.785 ? Z: 6 4.759 1.585 0.132 0.697 1.000 0.600 CA 0.991 6 residues pruned to eliminate duplicates Z: 6 6.113 1.590 0.345 0.806 1.000 0.600 CB 0.979 6 residues pruned to eliminate duplicates Z: 9 10.333 1.624 0.543 0.813 1.000 0.875 CA 1.110 9 residues pruned to eliminate duplicates Z: 8 10.375 1.664 0.575 0.584 1.000 0.714 CA 1.381 11 residues pruned to eliminate duplicates Z: 51 32.792 1.956 0.679 0.634 0.920 0.600 CB 1.353 51 residues pruned to eliminate duplicates Z: 21 14.798 1.853 0.571 0.474 0.800 0.450 CB 1.458 22 residues pruned to eliminate duplicates Z: 38 30.970 2.064 0.582 0.618 0.973 0.703 CB 1.433 38 residues pruned to eliminate duplicates Z: 14 11.624 1.517 0.521 0.781 0.923 0.692 CB 1.182 14 residues pruned to eliminate duplicates Z: 50 29.291 1.988 0.822 0.422 0.918 0.490 CB 1.364 50 residues pruned to eliminate duplicates Z: 29 22.575 2.034 0.540 0.530 0.964 0.571 CB 1.371 29 residues pruned to eliminate duplicates Z: 28 15.196 1.790 0.480 0.489 0.852 0.519 CB 1.311 28 residues pruned to eliminate duplicates Z: 48 21.520 1.868 0.557 0.442 0.957 0.660 CB 1.196 37 residues pruned to eliminate duplicates Z: 40 26.803 1.905 0.738 0.509 0.897 0.538 CA 1.431 40 residues pruned to eliminate duplicates Z: 40 24.839 2.012 0.539 0.431 0.949 0.487 CB 1.455 38 residues pruned to eliminate duplicates Z: 22 24.084 1.928 0.569 0.839 0.952 0.762 CB 1.362 22 residues pruned to eliminate duplicates Z: 20 6.799 1.601 0.301 0.432 0.737 0.474 CB 1.090 20 residues pruned to eliminate duplicates Z: 8 6.096 1.571 0.387 0.485 0.857 0.429 O 1.252 Z: 12 12.380 1.687 0.700 0.501 1.000 0.818 CA 1.301 Z: 28 23.041 1.931 0.669 0.577 0.889 0.667 CB 1.438 27 residues pruned to eliminate duplicates Z: 24 24.269 1.909 0.730 0.648 1.000 0.826 CA 1.334 24 residues pruned to eliminate duplicates Z: 22 14.964 1.751 0.460 0.594 0.905 0.571 CB 1.290 22 residues pruned to eliminate duplicates Z: 9 8.027 1.869 0.557 0.468 0.875 0.625 CB 1.152 Z: 11 3.825 1.496 0.142 0.318 0.900 0.600 CB 0.962 11 residues pruned to eliminate duplicates Z: 26 10.993 1.788 0.381 0.487 0.840 0.560 CB 1.075 26 residues pruned to eliminate duplicates Z: 6 3.001 1.548 0.142 0.790 1.000 0.800 CB 0.588 Z: 10 5.909 1.539 0.295 0.815 1.000 0.444 CB 0.752 10 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 9 5.288 1.781 0.327 0.487 0.750 0.500 CB 1.069 Z: 14 6.967 1.656 0.090 0.562 0.846 0.462 CB 1.191 14 residues pruned to eliminate duplicates Z: 19 8.265 1.706 0.060 0.372 0.944 0.278 CB 1.308 19 residues pruned to eliminate duplicates Z: 46 15.606 1.784 0.398 0.393 0.889 0.622 CB 1.175 55 residues pruned to eliminate duplicates Z: 14 11.414 1.704 0.369 0.627 0.923 0.692 CB 1.305 14 residues pruned to eliminate duplicates Z: 42 13.241 1.811 0.277 0.381 0.878 0.512 CB 1.155 42 residues pruned to eliminate duplicates Z: 39 14.497 1.831 0.320 0.393 0.921 0.632 CB 1.184 39 residues pruned to eliminate duplicates Z: 43 15.628 1.778 0.444 0.409 0.881 0.452 CB 1.173 43 residues pruned to eliminate duplicates Z: 80 28.201 1.890 0.451 0.431 0.924 0.582 CB 1.344 80 residues pruned to eliminate duplicates Z: 39 13.225 1.831 0.302 0.390 0.868 0.447 CB 1.164 39 residues pruned to eliminate duplicates Z: 16 11.259 1.801 0.387 0.434 0.933 0.400 CB 1.335 16 residues pruned to eliminate duplicates Z: 18 11.120 1.740 0.385 0.415 0.941 0.471 CB 1.299 18 residues pruned to eliminate duplicates Z: 10 6.159 1.716 0.707 0.308 0.667 0.556 CB 1.302 10 residues pruned to eliminate duplicates Z: 37 13.877 1.853 0.348 0.368 0.889 0.417 CB 1.200 37 residues pruned to eliminate duplicates Z: 18 10.240 1.769 0.452 0.310 0.882 0.588 CB 1.352 18 residues pruned to eliminate duplicates Z: 20 12.451 1.721 0.403 0.422 1.000 0.526 CA 1.282 20 residues pruned to eliminate duplicates Z: 39 16.977 1.828 0.535 0.423 0.895 0.526 CB 1.188 39 residues pruned to eliminate duplicates Z: 40 19.066 1.855 0.584 0.438 0.923 0.615 CB 1.200 41 residues pruned to eliminate duplicates 6 1.812 1.309 -0.038 0.395 0.800 0.600 CB 0.899 ? Z: 11 6.848 1.485 0.703 0.588 0.700 0.400 N 1.124 11 residues pruned to eliminate duplicates Z: 41 17.427 1.809 0.492 0.467 0.850 0.575 CB 1.242 41 residues pruned to eliminate duplicates Z: 19 11.632 1.867 0.463 0.462 0.889 0.389 CB 1.173 19 residues pruned to eliminate duplicates Z: 37 15.852 1.811 0.484 0.414 0.917 0.444 CB 1.174 37 residues pruned to eliminate duplicates Z: 38 15.700 1.788 0.445 0.411 0.946 0.405 CB 1.160 38 residues pruned to eliminate duplicates Z: 19 10.647 1.832 0.416 0.474 0.944 0.611 CB 1.052 19 residues pruned to eliminate duplicates Z: 12 7.519 1.860 0.382 0.305 0.909 0.091 CB 1.205 12 residues pruned to eliminate duplicates Z: 82 33.388 1.896 0.573 0.464 0.938 0.531 CB 1.376 82 residues pruned to eliminate duplicates Z: 42 18.305 1.820 0.415 0.430 0.951 0.488 CB 1.254 42 residues pruned to eliminate duplicates Z: 29 16.817 1.910 0.505 0.397 0.964 0.500 CB 1.278 29 residues pruned to eliminate duplicates Z: 20 8.486 1.695 0.319 0.313 0.947 0.421 CB 1.132 20 residues pruned to eliminate duplicates Z: 19 11.928 1.880 0.396 0.408 1.000 0.444 CB 1.180 19 residues pruned to eliminate duplicates Z: 22 11.222 1.793 0.312 0.403 0.952 0.429 CB 1.211 22 residues pruned to eliminate duplicates Z: 12 8.252 1.864 0.434 0.328 1.000 0.273 CB 1.125 12 residues pruned to eliminate duplicates Z: 7 10.447 1.838 0.677 0.698 1.000 0.500 CB 1.155 7 residues pruned to eliminate duplicates Z: 8 7.831 1.687 0.587 0.569 0.857 0.429 CB 1.207 8 residues pruned to eliminate duplicates Z: 17 12.558 1.810 0.421 0.515 0.875 0.250 CB 1.374 13 residues pruned to eliminate duplicates Z: 6 3.518 1.706 0.738 0.340 0.600 0.400 CA 1.053 6 residues pruned to eliminate duplicates Z: 13 13.694 1.835 0.816 0.496 0.917 0.417 CB 1.299 13 residues pruned to eliminate duplicates Z: 51 27.786 1.886 0.826 0.503 0.880 0.580 CB 1.293 55 residues pruned to eliminate duplicates Z: 7 7.006 1.507 0.802 0.629 1.000 0.333 CA 0.933 7 residues pruned to eliminate duplicates Z: 11 10.432 1.920 0.533 0.530 0.800 0.500 CA 1.360 11 residues pruned to eliminate duplicates Z: 10 8.550 1.700 0.782 0.461 1.000 0.556 CA 0.979 10 residues pruned to eliminate duplicates Z: 12 10.826 1.786 0.622 0.467 0.909 0.545 CA 1.282 12 residues pruned to eliminate duplicates Z: 16 10.903 1.820 0.560 0.440 0.867 0.533 CA 1.217 16 residues pruned to eliminate duplicates Z: 23 14.075 1.891 0.401 0.377 0.955 0.545 CB 1.354 23 residues pruned to eliminate duplicates Z: 28 17.458 1.919 0.642 0.432 0.852 0.556 CA 1.343 28 residues pruned to eliminate duplicates Z: 24 10.351 1.823 0.283 0.382 0.826 0.609 CA 1.266 24 residues pruned to eliminate duplicates Z: 17 8.842 1.861 0.370 0.453 0.750 0.438 CB 1.213 17 residues pruned to eliminate duplicates Z: 13 12.173 1.956 0.274 0.595 1.000 0.667 CA 1.287 13 residues pruned to eliminate duplicates Z: 18 8.733 1.766 0.266 0.486 0.765 0.471 CB 1.256 18 residues pruned to eliminate duplicates Z: 9 6.176 1.665 0.198 0.631 0.875 0.375 CB 1.106 9 residues pruned to eliminate duplicates Z: 21 14.103 1.904 0.386 0.413 1.000 0.550 CB 1.309 22 residues pruned to eliminate duplicates Z: 9 5.746 1.439 0.353 0.632 0.875 0.375 CA 1.053 9 residues pruned to eliminate duplicates Z: 37 20.612 1.895 0.490 0.446 0.944 0.444 CB 1.361 38 residues pruned to eliminate duplicates Z: 10 9.208 1.915 0.570 0.407 0.889 0.556 CA 1.266 10 residues pruned to eliminate duplicates Z: 38 18.603 1.829 0.413 0.432 0.946 0.568 CA 1.343 38 residues pruned to eliminate duplicates Z: 35 18.221 1.904 0.459 0.433 0.912 0.500 CB 1.323 35 residues pruned to eliminate duplicates Z: 41 19.014 1.863 0.467 0.403 0.950 0.500 CB 1.282 41 residues pruned to eliminate duplicates Z: 16 10.688 1.887 0.453 0.318 0.867 0.467 CB 1.420 16 residues pruned to eliminate duplicates Z: 29 15.921 1.922 0.366 0.426 0.929 0.536 CA 1.332 29 residues pruned to eliminate duplicates Z: 22 13.274 1.841 0.537 0.465 0.857 0.619 CB 1.237 22 residues pruned to eliminate duplicates Z: 20 13.712 1.896 0.508 0.318 0.947 0.526 CB 1.419 20 residues pruned to eliminate duplicates Z: 26 16.503 1.786 0.595 0.437 0.960 0.600 CB 1.289 25 residues pruned to eliminate duplicates Z: 11 11.625 1.779 0.591 0.768 1.000 0.700 CB 1.025 11 residues pruned to eliminate duplicates Z: 11 5.784 1.761 0.406 0.299 0.800 0.200 CB 1.155 11 residues pruned to eliminate duplicates Z: 22 14.993 1.864 0.708 0.453 0.905 0.571 CB 1.192 23 residues pruned to eliminate duplicates Z: 9 7.765 1.756 0.433 0.731 1.000 0.750 CB 0.886 9 residues pruned to eliminate duplicates Z: 38 22.471 1.872 0.580 0.459 0.946 0.622 CB 1.376 37 residues pruned to eliminate duplicates Z: 9 9.838 1.615 0.368 0.855 1.000 1.000 CB 1.161 9 residues pruned to eliminate duplicates Z: 37 18.039 1.875 0.390 0.428 0.944 0.556 CA 1.316 37 residues pruned to eliminate duplicates Z: 36 18.882 1.909 0.473 0.402 0.943 0.714 CB 1.335 36 residues pruned to eliminate duplicates Z: 11 8.432 1.683 0.725 0.408 1.000 0.400 CB 1.010 11 residues pruned to eliminate duplicates Z: 16 9.773 1.767 0.342 0.482 1.000 0.600 CB 1.083 16 residues pruned to eliminate duplicates Z: 16 13.715 1.800 0.800 0.407 0.867 0.467 CB 1.389 16 residues pruned to eliminate duplicates Z: 24 24.216 1.970 0.492 0.840 1.000 0.870 CA 1.282 24 residues pruned to eliminate duplicates Z: 23 21.193 1.965 0.394 0.862 1.000 1.000 CA 1.210 23 residues pruned to eliminate duplicates Z: 29 18.966 1.902 0.395 0.687 0.964 0.750 CA 1.180 29 residues pruned to eliminate duplicates Z: 25 23.472 1.979 0.471 0.826 1.000 0.875 CA 1.242 25 residues pruned to eliminate duplicates Z: 31 21.894 1.918 0.498 0.691 0.900 0.800 CA 1.297 31 residues pruned to eliminate duplicates Z: 26 19.564 1.891 0.427 0.813 0.920 0.760 CA 1.201 26 residues pruned to eliminate duplicates Z: 36 31.235 1.974 0.658 0.713 1.000 0.743 CB 1.331 36 residues pruned to eliminate duplicates Z: 23 25.385 1.923 0.778 0.809 0.909 0.773 CA 1.330 23 residues pruned to eliminate duplicates Z: 37 28.336 1.961 0.609 0.730 0.944 0.722 CA 1.288 37 residues pruned to eliminate duplicates Z: 25 26.238 1.970 0.605 0.798 1.000 0.708 CA 1.305 25 residues pruned to eliminate duplicates Z: 25 23.703 1.947 0.553 0.833 0.958 0.833 CA 1.253 25 residues pruned to eliminate duplicates Z: 28 26.220 1.974 0.602 0.758 0.963 0.778 CA 1.318 28 residues pruned to eliminate duplicates Z: 25 30.414 1.988 0.734 0.825 1.000 0.708 CA 1.359 25 residues pruned to eliminate duplicates Z: 26 30.110 1.974 0.795 0.790 0.960 0.640 CA 1.372 26 residues pruned to eliminate duplicates Z: 26 23.310 1.959 0.723 0.767 0.880 0.680 CA 1.238 26 residues pruned to eliminate duplicates Z: 35 28.915 1.975 0.646 0.732 0.941 0.735 CA 1.316 35 residues pruned to eliminate duplicates Z: 22 24.350 1.914 0.705 0.875 0.952 0.714 CA 1.244 22 residues pruned to eliminate duplicates Z: 32 25.557 1.934 0.611 0.717 0.968 0.710 CA 1.251 32 residues pruned to eliminate duplicates Z: 26 25.733 1.978 0.630 0.780 0.960 0.640 CA 1.299 26 residues pruned to eliminate duplicates Z: 42 27.468 1.897 0.584 0.670 0.951 0.610 CA 1.283 41 residues pruned to eliminate duplicates Z: 23 24.780 1.989 0.505 0.825 1.000 0.727 CA 1.332 23 residues pruned to eliminate duplicates Z: 50 27.881 1.892 0.626 0.604 0.939 0.612 CA 1.249 52 residues pruned to eliminate duplicates Z: 21 25.718 1.999 0.717 0.859 0.950 0.700 CA 1.297 21 residues pruned to eliminate duplicates Z: 34 24.376 1.943 0.678 0.656 0.909 0.667 CA 1.239 34 residues pruned to eliminate duplicates Z: 36 27.526 1.969 0.614 0.689 0.971 0.657 CA 1.268 36 residues pruned to eliminate duplicates Z: 36 23.954 1.910 0.629 0.646 0.943 0.629 CB 1.204 36 residues pruned to eliminate duplicates Z: 11 12.504 1.910 0.573 0.671 1.000 0.600 CB 1.124 10 residues pruned to eliminate duplicates Z: 6 2.555 1.322 0.485 0.742 1.000 0.600 CA 0.468 6 residues pruned to eliminate duplicates Z: 77 34.747 1.925 0.513 0.602 0.961 0.684 CB 1.293 75 residues pruned to eliminate duplicates Z: 7 4.240 1.387 0.381 0.388 1.000 0.667 O 1.017 7 residues pruned to eliminate duplicates Z: 40 18.951 1.880 0.329 0.567 0.923 0.718 CB 1.233 40 residues pruned to eliminate duplicates Z: 39 20.818 1.891 0.462 0.544 0.947 0.711 CB 1.235 39 residues pruned to eliminate duplicates Z: 33 19.282 1.835 0.413 0.605 0.938 0.688 CB 1.270 33 residues pruned to eliminate duplicates Z: 39 22.770 1.899 0.500 0.584 0.974 0.737 CB 1.228 39 residues pruned to eliminate duplicates Z: 37 20.096 1.938 0.434 0.527 0.972 0.611 CB 1.208 37 residues pruned to eliminate duplicates Z: 37 19.201 1.893 0.349 0.567 0.944 0.667 CB 1.244 37 residues pruned to eliminate duplicates Z: 39 19.663 1.855 0.398 0.573 0.974 0.632 CB 1.177 39 residues pruned to eliminate duplicates Z: 39 20.624 1.920 0.483 0.587 0.895 0.684 CB 1.208 39 residues pruned to eliminate duplicates Z: 44 19.168 1.844 0.337 0.558 0.953 0.674 CB 1.175 44 residues pruned to eliminate duplicates Z: 39 21.404 1.897 0.590 0.538 0.895 0.789 CB 1.239 39 residues pruned to eliminate duplicates Z: 44 18.655 1.824 0.432 0.478 0.930 0.628 CB 1.198 44 residues pruned to eliminate duplicates Z: 30 18.820 1.927 0.439 0.526 0.966 0.759 CB 1.273 30 residues pruned to eliminate duplicates Z: 32 16.039 1.836 0.548 0.524 0.839 0.677 CB 1.180 32 residues pruned to eliminate duplicates Z: 21 16.361 1.970 0.402 0.541 1.000 0.650 CB 1.273 21 residues pruned to eliminate duplicates Z: 40 22.646 1.893 0.556 0.551 1.000 0.667 CB 1.172 40 residues pruned to eliminate duplicates Z: 40 21.772 1.879 0.537 0.550 0.974 0.641 CB 1.180 40 residues pruned to eliminate duplicates Z: 39 21.601 1.922 0.550 0.538 0.947 0.684 CB 1.196 37 residues pruned to eliminate duplicates Z: 12 15.405 1.882 0.425 0.896 0.909 0.727 CB 1.365 12 residues pruned to eliminate duplicates Z: 36 18.894 1.915 0.463 0.511 0.914 0.571 CB 1.233 36 residues pruned to eliminate duplicates Z: 39 20.561 1.911 0.507 0.548 0.868 0.605 CB 1.272 39 residues pruned to eliminate duplicates Z: 21 16.297 1.885 0.584 0.702 0.900 0.650 CB 1.128 21 residues pruned to eliminate duplicates Z: 36 25.541 1.969 0.592 0.614 0.971 0.657 CB 1.272 37 residues pruned to eliminate duplicates Z: 14 19.862 1.791 0.799 0.879 0.923 0.538 CB 1.343 14 residues pruned to eliminate duplicates Z: 38 26.283 1.940 0.680 0.546 0.973 0.568 CB 1.303 38 residues pruned to eliminate duplicates Z: 16 21.604 1.701 0.879 0.877 1.000 0.667 CB 1.267 16 residues pruned to eliminate duplicates Z: 31 22.122 1.926 0.578 0.646 1.000 0.733 CB 1.160 31 residues pruned to eliminate duplicates Z: 26 20.873 1.893 0.731 0.684 0.920 0.600 CB 1.170 26 residues pruned to eliminate duplicates Z: 41 20.989 1.864 0.478 0.540 0.950 0.650 CB 1.219 41 residues pruned to eliminate duplicates Z: 34 21.307 1.927 0.514 0.544 0.970 0.636 CB 1.255 34 residues pruned to eliminate duplicates Z: 33 20.381 1.939 0.492 0.540 0.938 0.625 CB 1.278 33 residues pruned to eliminate duplicates Z: 9 7.322 1.798 0.486 0.529 0.875 0.750 CA 1.076 9 residues pruned to eliminate duplicates Z: 14 7.463 1.619 0.552 0.490 0.846 0.615 CB 0.983 12 residues pruned to eliminate duplicates Z: 6 6.178 1.619 0.604 0.403 1.000 0.600 O 1.179 6 residues pruned to eliminate duplicates Z: 8 6.697 1.898 0.545 0.434 0.857 0.429 CB 1.078 9 residues pruned to eliminate duplicates Z: 7 6.232 1.528 0.768 0.419 1.000 0.333 CB 1.025 5 residues pruned to eliminate duplicates Z: 8 12.398 1.945 1.002 0.580 0.857 0.286 CB 1.300 8 residues pruned to eliminate duplicates Z: 21 17.185 1.938 0.593 0.445 0.900 0.300 CB 1.463 21 residues pruned to eliminate duplicates Z: 41 37.165 2.143 0.888 0.544 0.925 0.600 CB 1.505 41 residues pruned to eliminate duplicates Z: 18 15.918 1.941 0.661 0.447 0.882 0.235 CB 1.434 18 residues pruned to eliminate duplicates Z: 42 27.825 2.007 0.875 0.479 0.854 0.463 CB 1.382 40 residues pruned to eliminate duplicates Z: 7 12.778 2.006 0.628 0.567 1.000 0.333 CA 1.496 7 residues pruned to eliminate duplicates Z: 39 29.330 2.000 0.754 0.521 0.947 0.500 CB 1.402 39 residues pruned to eliminate duplicates Z: 19 20.919 2.040 0.753 0.504 0.944 0.333 CB 1.455 23 residues pruned to eliminate duplicates Z: 15 28.685 2.162 1.340 0.703 0.929 0.714 CA 1.356 15 residues pruned to eliminate duplicates Z: 28 29.817 1.985 0.949 0.559 0.963 0.667 CB 1.454 28 residues pruned to eliminate duplicates Z: 26 32.704 2.083 0.879 0.584 0.960 0.760 CA 1.605 28 residues pruned to eliminate duplicates Z: 13 31.347 2.051 1.329 0.891 1.000 0.750 CA 1.362 13 residues pruned to eliminate duplicates Z: 42 35.541 2.108 0.881 0.527 0.927 0.585 CB 1.470 41 residues pruned to eliminate duplicates Z: 14 26.206 2.103 1.087 0.799 0.923 0.769 CA 1.380 14 residues pruned to eliminate duplicates Z: 42 32.863 2.050 0.861 0.494 0.927 0.512 CB 1.461 42 residues pruned to eliminate duplicates Z: 14 29.293 2.037 1.318 0.835 0.923 0.846 CA 1.396 14 residues pruned to eliminate duplicates Z: 41 32.626 2.100 0.901 0.490 0.925 0.500 CB 1.411 41 residues pruned to eliminate duplicates Z: 41 36.098 2.087 0.910 0.536 0.975 0.525 CB 1.417 41 residues pruned to eliminate duplicates Z: 43 35.537 2.094 0.995 0.545 0.905 0.500 CB 1.388 43 residues pruned to eliminate duplicates Z: 32 32.269 2.078 0.982 0.499 0.935 0.581 CB 1.505 32 residues pruned to eliminate duplicates Z: 40 41.307 2.128 1.065 0.558 0.949 0.513 CB 1.498 41 residues pruned to eliminate duplicates Z: 6 8.320 1.527 0.987 0.599 1.000 0.400 CB 1.116 6 residues pruned to eliminate duplicates Z: 39 40.439 2.088 1.085 0.563 1.000 0.553 CB 1.417 39 residues pruned to eliminate duplicates Z: 42 36.996 2.124 1.077 0.540 0.902 0.512 CB 1.395 42 residues pruned to eliminate duplicates Z: 6 5.520 1.589 0.919 0.362 1.000 0.600 CA 0.939 6 residues pruned to eliminate duplicates Z: 41 39.214 2.140 0.957 0.543 0.975 0.525 CB 1.456 41 residues pruned to eliminate duplicates Z: 43 33.194 2.090 0.881 0.504 0.905 0.595 CB 1.433 43 residues pruned to eliminate duplicates Z: 38 30.192 2.093 0.875 0.514 0.892 0.622 CB 1.398 38 residues pruned to eliminate duplicates Z: 25 37.209 2.127 1.083 0.634 1.000 0.667 CB 1.513 24 residues pruned to eliminate duplicates Z: 6 7.346 1.582 0.679 0.628 0.800 0.400 N 1.370 6 residues pruned to eliminate duplicates Z: 37 18.036 1.906 0.614 0.421 0.889 0.556 CB 1.194 37 residues pruned to eliminate duplicates Z: 37 17.285 1.931 0.431 0.390 0.861 0.500 CB 1.359 37 residues pruned to eliminate duplicates Z: 34 15.842 1.857 0.634 0.422 0.818 0.485 CB 1.204 34 residues pruned to eliminate duplicates Z: 38 19.212 1.898 0.667 0.416 0.946 0.568 CB 1.152 39 residues pruned to eliminate duplicates Z: 9 9.138 1.881 0.309 0.463 1.000 0.500 CA 1.363 9 residues pruned to eliminate duplicates Z: 53 19.760 1.859 0.557 0.439 0.923 0.442 CB 1.092 53 residues pruned to eliminate duplicates Z: 37 15.357 1.852 0.549 0.399 0.889 0.444 CB 1.116 37 residues pruned to eliminate duplicates Z: 43 15.103 1.856 0.427 0.337 0.833 0.381 CB 1.261 43 residues pruned to eliminate duplicates Z: 32 16.960 1.915 0.635 0.409 0.839 0.484 CB 1.277 32 residues pruned to eliminate duplicates Z: 38 17.492 1.888 0.604 0.418 0.865 0.568 CB 1.195 38 residues pruned to eliminate duplicates Z: 19 9.241 1.906 0.292 0.364 0.944 0.778 CB 1.084 19 residues pruned to eliminate duplicates Z: 37 19.552 1.929 0.641 0.415 0.889 0.556 CB 1.266 37 residues pruned to eliminate duplicates Z: 6 5.297 1.531 0.728 0.400 1.000 0.600 N 0.995 6 residues pruned to eliminate duplicates Z: 37 20.858 1.892 0.647 0.442 0.944 0.528 CB 1.254 37 residues pruned to eliminate duplicates Z: 6 5.229 1.543 0.881 0.479 1.000 0.600 CB 0.823 6 residues pruned to eliminate duplicates Z: 47 19.872 1.873 0.583 0.376 0.935 0.609 CB 1.207 47 residues pruned to eliminate duplicates Z: 37 20.902 1.920 0.677 0.449 0.917 0.611 CB 1.244 37 residues pruned to eliminate duplicates Z: 38 18.748 1.875 0.528 0.411 0.946 0.595 CB 1.248 38 residues pruned to eliminate duplicates Z: 34 17.950 1.874 0.557 0.457 0.939 0.545 CB 1.192 34 residues pruned to eliminate duplicates Z: 41 14.443 1.888 0.519 0.361 0.800 0.425 CB 1.156 41 residues pruned to eliminate duplicates Z: 33 15.946 1.880 0.594 0.416 0.844 0.469 CB 1.217 33 residues pruned to eliminate duplicates Z: 7 10.349 1.978 0.728 0.532 0.833 0.667 CB 1.437 7 residues pruned to eliminate duplicates Z: 16 12.265 1.891 0.622 0.508 0.867 0.467 CB 1.181 16 residues pruned to eliminate duplicates Z: 46 19.747 1.890 0.543 0.390 0.956 0.400 CB 1.187 46 residues pruned to eliminate duplicates Z: 40 17.858 1.828 0.554 0.437 0.923 0.487 CB 1.163 40 residues pruned to eliminate duplicates Z: 24 15.371 1.893 0.848 0.418 0.913 0.609 CB 1.093 24 residues pruned to eliminate duplicates Z: 40 16.544 1.880 0.509 0.353 0.872 0.513 CB 1.256 40 residues pruned to eliminate duplicates Z: 18 10.851 1.815 0.775 0.486 0.765 0.471 CB 1.083 18 residues pruned to eliminate duplicates Z: 17 12.532 1.839 0.869 0.492 0.938 0.562 CB 0.980 17 residues pruned to eliminate duplicates Z: 39 17.921 1.844 0.659 0.405 0.868 0.447 CB 1.209 39 residues pruned to eliminate duplicates Z: 42 13.410 1.847 0.440 0.325 0.805 0.463 CB 1.186 42 residues pruned to eliminate duplicates Z: 16 7.073 1.715 0.540 0.199 0.733 0.267 CB 1.348 Z: 6 7.362 1.731 0.371 0.598 1.000 0.400 CA 1.264 6 residues pruned to eliminate duplicates Z: 23 19.183 1.963 0.627 0.599 0.909 0.545 CA 1.282 23 residues pruned to eliminate duplicates Z: 36 25.662 1.928 0.779 0.556 0.914 0.629 CB 1.310 51 residues pruned to eliminate duplicates Z: 6 3.764 1.744 0.369 0.354 0.800 0.400 CA 1.032 6 residues pruned to eliminate duplicates Z: 16 9.683 1.917 0.399 0.384 0.867 0.200 CB 1.216 16 residues pruned to eliminate duplicates Z: 25 18.677 1.950 0.599 0.540 0.917 0.542 CA 1.282 25 residues pruned to eliminate duplicates Z: 9 4.477 1.629 0.347 0.312 0.875 0.375 CB 1.016 9 residues pruned to eliminate duplicates Z: 25 22.348 1.910 0.780 0.611 0.958 0.542 CB 1.260 25 residues pruned to eliminate duplicates Z: 24 10.382 1.775 0.480 0.352 0.870 0.435 CB 1.113 24 residues pruned to eliminate duplicates Z: 22 20.894 1.951 0.815 0.671 0.905 0.762 CB 1.215 22 residues pruned to eliminate duplicates Z: 24 21.010 1.925 0.678 0.620 0.957 0.609 CB 1.267 23 residues pruned to eliminate duplicates Z: 12 23.888 1.936 1.083 0.848 1.000 0.727 CB 1.325 12 residues pruned to eliminate duplicates Z: 27 20.413 1.918 0.822 0.555 0.885 0.615 CB 1.228 28 residues pruned to eliminate duplicates Z: 12 22.100 1.944 0.885 0.832 1.000 0.818 CB 1.366 12 residues pruned to eliminate duplicates Z: 48 23.899 1.833 0.630 0.576 0.915 0.617 CB 1.186 35 residues pruned to eliminate duplicates Z: 12 20.605 1.929 0.984 0.895 1.000 0.909 CB 1.163 12 residues pruned to eliminate duplicates Z: 36 21.241 1.931 0.598 0.535 0.914 0.571 CB 1.230 36 residues pruned to eliminate duplicates Z: 19 16.181 1.986 0.660 0.589 0.889 0.611 CB 1.195 19 residues pruned to eliminate duplicates Z: 24 18.610 1.923 0.744 0.594 0.870 0.435 CB 1.216 24 residues pruned to eliminate duplicates Z: 22 11.503 1.942 0.476 0.511 0.810 0.524 CB 1.070 22 residues pruned to eliminate duplicates Z: 30 16.209 1.820 0.635 0.488 0.897 0.517 CA 1.142 30 residues pruned to eliminate duplicates Z: 36 17.720 1.853 0.535 0.515 0.886 0.571 CB 1.172 36 residues pruned to eliminate duplicates Z: 14 7.092 1.728 0.400 0.409 0.846 0.462 CB 1.057 14 residues pruned to eliminate duplicates Z: 11 9.661 1.759 0.543 0.585 1.000 0.800 CB 1.037 11 residues pruned to eliminate duplicates Z: 12 9.162 1.763 0.339 0.507 0.909 0.727 CB 1.278 12 residues pruned to eliminate duplicates Z: 11 7.763 1.684 0.435 0.562 0.900 0.600 CB 1.063 11 residues pruned to eliminate duplicates Z: 10 9.049 1.768 0.656 0.512 0.889 0.444 CB 1.145 10 residues pruned to eliminate duplicates Z: 9 11.499 1.864 0.871 0.450 0.875 0.625 CB 1.402 9 residues pruned to eliminate duplicates Z: 35 30.648 1.942 0.733 0.666 0.912 0.647 CB 1.470 48 residues pruned to eliminate duplicates Z: 24 21.878 1.901 0.566 0.769 0.913 0.696 CB 1.323 24 residues pruned to eliminate duplicates Z: 32 25.407 1.943 0.543 0.722 0.968 0.677 CA 1.287 32 residues pruned to eliminate duplicates Z: 26 23.830 1.933 0.529 0.777 0.960 0.800 CB 1.316 26 residues pruned to eliminate duplicates Z: 26 24.660 1.932 0.566 0.782 0.960 0.640 CB 1.325 26 residues pruned to eliminate duplicates Z: 29 20.134 1.830 0.487 0.679 0.929 0.607 CB 1.277 29 residues pruned to eliminate duplicates Z: 25 23.328 1.982 0.520 0.786 0.875 0.750 CB 1.404 25 residues pruned to eliminate duplicates Z: 42 24.842 1.889 0.445 0.653 0.976 0.585 CB 1.263 42 residues pruned to eliminate duplicates Z: 26 27.491 1.945 0.655 0.788 0.960 0.760 CB 1.382 26 residues pruned to eliminate duplicates Z: 31 25.779 1.929 0.734 0.719 0.933 0.767 CB 1.237 31 residues pruned to eliminate duplicates Z: 25 25.389 1.981 0.501 0.761 0.958 0.708 CB 1.442 25 residues pruned to eliminate duplicates Z: 22 21.053 1.937 0.621 0.763 0.952 0.714 CA 1.216 22 residues pruned to eliminate duplicates Z: 37 25.463 1.909 0.677 0.717 0.944 0.667 CB 1.153 37 residues pruned to eliminate duplicates Z: 38 24.414 1.924 0.528 0.723 0.946 0.676 CB 1.180 38 residues pruned to eliminate duplicates Z: 26 23.528 1.929 0.451 0.799 0.960 0.720 CB 1.348 26 residues pruned to eliminate duplicates Z: 26 24.508 1.933 0.521 0.799 0.960 0.720 CB 1.337 26 residues pruned to eliminate duplicates Z: 52 24.643 1.839 0.450 0.644 0.941 0.647 CB 1.202 52 residues pruned to eliminate duplicates Z: 53 23.686 1.833 0.637 0.630 0.865 0.635 CB 1.120 53 residues pruned to eliminate duplicates Z: 26 25.196 1.952 0.487 0.791 0.960 0.720 CB 1.401 26 residues pruned to eliminate duplicates Z: 25 28.133 1.940 0.691 0.795 1.000 0.708 CB 1.351 25 residues pruned to eliminate duplicates Z: 45 22.083 1.816 0.671 0.566 0.932 0.545 CB 1.105 45 residues pruned to eliminate duplicates Z: 36 25.309 1.901 0.622 0.710 0.943 0.543 CB 1.216 36 residues pruned to eliminate duplicates Z: 39 25.016 1.891 0.633 0.688 0.947 0.658 CB 1.167 39 residues pruned to eliminate duplicates Z: 37 25.594 1.880 0.820 0.680 0.972 0.583 CB 1.087 37 residues pruned to eliminate duplicates Z: 51 29.933 1.850 0.790 0.622 0.980 0.640 CB 1.162 51 residues pruned to eliminate duplicates Z: 42 25.056 1.892 0.579 0.663 0.976 0.610 CB 1.154 42 residues pruned to eliminate duplicates Z: 41 25.640 1.914 0.640 0.651 0.975 0.650 CB 1.151 41 residues pruned to eliminate duplicates Z: 45 25.395 1.883 0.589 0.660 0.977 0.568 CB 1.129 45 residues pruned to eliminate duplicates Z: 40 26.670 1.916 0.693 0.669 0.974 0.590 CB 1.156 40 residues pruned to eliminate duplicates Z: 52 19.270 1.820 0.469 0.532 0.902 0.471 CB 1.084 52 residues pruned to eliminate duplicates Z: 37 25.562 1.922 0.653 0.694 0.944 0.583 CB 1.189 37 residues pruned to eliminate duplicates Z: 38 26.716 1.885 0.763 0.647 0.973 0.649 CB 1.184 38 residues pruned to eliminate duplicates Z: 9 4.272 1.654 0.159 0.361 0.875 0.250 CB 1.046 9 residues pruned to eliminate duplicates Z: 10 5.235 1.681 0.310 0.350 0.889 0.333 CB 1.049 10 residues pruned to eliminate duplicates Z: 11 6.693 1.699 0.591 0.538 0.900 0.700 CB 0.838 11 residues pruned to eliminate duplicates Z: 18 11.201 1.656 0.805 0.485 0.882 0.588 CB 1.046 18 residues pruned to eliminate duplicates Z: 11 8.210 1.784 0.553 0.590 1.000 0.400 CB 0.860 11 residues pruned to eliminate duplicates Z: 48 27.463 1.869 0.623 0.629 0.957 0.617 CB 1.222 48 residues pruned to eliminate duplicates Z: 43 21.295 1.804 0.490 0.639 0.905 0.643 CB 1.186 43 residues pruned to eliminate duplicates Z: 61 26.833 1.804 0.603 0.571 0.950 0.567 CB 1.178 61 residues pruned to eliminate duplicates Z: 17 3.977 1.583 0.306 0.176 0.625 0.188 CB 1.139 17 residues pruned to eliminate duplicates 7 1.932 1.672 0.034 0.175 0.667 0.333 CB 1.014 ? Z: 44 27.552 1.983 0.719 0.522 0.860 0.558 CB 1.402 44 residues pruned to eliminate duplicates Z: 42 36.225 2.046 0.819 0.555 0.976 0.634 CB 1.478 42 residues pruned to eliminate duplicates Z: 43 36.365 2.010 0.797 0.567 0.976 0.595 CB 1.492 43 residues pruned to eliminate duplicates Z: 8 14.477 1.961 0.751 0.656 1.000 0.429 CA 1.378 8 residues pruned to eliminate duplicates Z: 20 15.790 1.930 0.640 0.421 0.947 0.421 CB 1.312 20 residues pruned to eliminate duplicates Z: 17 12.532 1.899 0.699 0.329 0.875 0.375 CB 1.338 17 residues pruned to eliminate duplicates Z: 43 37.988 2.055 0.790 0.551 1.000 0.643 CB 1.517 43 residues pruned to eliminate duplicates Z: 27 16.460 1.869 0.810 0.388 0.923 0.385 CB 1.164 27 residues pruned to eliminate duplicates Z: 41 35.910 2.080 0.783 0.538 0.975 0.625 CB 1.513 41 residues pruned to eliminate duplicates Z: 47 29.892 2.015 0.804 0.489 0.891 0.587 CB 1.375 47 residues pruned to eliminate duplicates Z: 40 35.251 2.041 0.824 0.540 0.949 0.641 CA 1.538 41 residues pruned to eliminate duplicates Z: 6 3.470 1.438 0.588 0.314 0.800 0.600 CA 1.044 6 residues pruned to eliminate duplicates Z: 43 34.556 2.078 0.823 0.529 0.905 0.524 CB 1.511 43 residues pruned to eliminate duplicates Z: 44 31.334 2.007 0.772 0.510 0.930 0.581 CB 1.429 44 residues pruned to eliminate duplicates Z: 40 31.989 2.046 0.685 0.524 0.949 0.564 CB 1.531 40 residues pruned to eliminate duplicates Z: 14 23.491 1.996 0.901 0.693 1.000 0.692 CA 1.440 14 residues pruned to eliminate duplicates Z: 39 35.850 2.083 0.831 0.528 0.947 0.579 CB 1.565 40 residues pruned to eliminate duplicates Z: 12 23.074 2.025 1.100 0.863 1.000 0.727 CA 1.201 12 residues pruned to eliminate duplicates Z: 43 31.974 2.071 0.776 0.489 0.929 0.524 CB 1.460 43 residues pruned to eliminate duplicates Z: 27 28.786 2.032 0.915 0.549 0.923 0.577 CA 1.497 27 residues pruned to eliminate duplicates Z: 26 27.418 2.023 0.801 0.589 0.920 0.640 CA 1.503 26 residues pruned to eliminate duplicates Z: 43 32.710 2.019 0.750 0.514 0.952 0.595 CB 1.479 43 residues pruned to eliminate duplicates Z: 42 36.242 2.072 0.795 0.514 1.000 0.585 CB 1.501 42 residues pruned to eliminate duplicates Z: 13 27.497 1.944 1.479 0.847 1.000 0.500 CA 1.223 13 residues pruned to eliminate duplicates Z: 40 32.980 2.021 0.870 0.506 0.923 0.436 CB 1.505 40 residues pruned to eliminate duplicates Z: 42 32.560 2.030 0.962 0.504 0.878 0.463 CB 1.449 42 residues pruned to eliminate duplicates Z: 42 32.467 1.969 0.867 0.486 0.927 0.537 CB 1.510 42 residues pruned to eliminate duplicates Z: 42 34.686 2.053 0.908 0.514 0.927 0.463 CB 1.471 42 residues pruned to eliminate duplicates Z: 49 29.659 1.987 0.813 0.497 0.896 0.521 CB 1.330 49 residues pruned to eliminate duplicates Z: 6 3.741 1.855 0.625 0.260 0.600 0.400 CA 1.217 6 residues pruned to eliminate duplicates Z: 40 31.557 1.999 0.785 0.518 0.949 0.564 CB 1.467 40 residues pruned to eliminate duplicates Z: 41 35.849 2.089 0.951 0.504 0.950 0.400 CB 1.459 41 residues pruned to eliminate duplicates Z: 38 33.144 2.050 0.919 0.503 0.919 0.378 CB 1.503 38 residues pruned to eliminate duplicates Z: 42 35.044 2.073 0.935 0.476 0.927 0.512 CB 1.508 42 residues pruned to eliminate duplicates Z: 43 35.318 2.036 0.912 0.498 0.952 0.476 CB 1.473 43 residues pruned to eliminate duplicates Z: 42 37.224 2.078 0.861 0.521 0.976 0.415 CB 1.509 42 residues pruned to eliminate duplicates Z: 54 19.178 1.863 0.443 0.517 0.849 0.547 CB 1.135 54 residues pruned to eliminate duplicates Z: 20 7.268 1.877 0.243 0.333 0.842 0.526 CB 1.019 20 residues pruned to eliminate duplicates Z: 35 17.953 1.913 0.459 0.518 0.912 0.529 CB 1.189 35 residues pruned to eliminate duplicates Z: 8 5.336 1.805 0.119 0.458 1.000 0.714 CA 1.042 8 residues pruned to eliminate duplicates Z: 8 4.114 1.581 0.564 0.467 0.714 0.429 CB 0.910 8 residues pruned to eliminate duplicates Z: 33 19.102 1.946 0.623 0.425 0.906 0.594 CB 1.275 33 residues pruned to eliminate duplicates Z: 47 19.358 1.927 0.600 0.363 0.848 0.478 CB 1.265 47 residues pruned to eliminate duplicates Z: 52 23.891 1.991 0.510 0.420 0.882 0.451 CB 1.371 83 residues pruned to eliminate duplicates Z: 6 4.291 1.875 0.660 0.288 0.800 0.600 CB 0.978 Z: 14 16.987 1.905 0.721 0.827 1.000 0.615 CB 1.083 14 residues pruned to eliminate duplicates Z: 34 20.615 1.965 0.614 0.476 0.879 0.545 CB 1.319 40 residues pruned to eliminate duplicates Z: 51 19.669 1.897 0.454 0.505 0.900 0.540 CB 1.115 51 residues pruned to eliminate duplicates Z: 17 18.031 2.040 0.772 0.638 0.938 0.562 CB 1.169 17 residues pruned to eliminate duplicates Z: 58 22.308 1.937 0.643 0.391 0.825 0.474 CB 1.264 58 residues pruned to eliminate duplicates Z: 17 16.228 1.942 0.854 0.674 0.938 0.562 CB 1.024 17 residues pruned to eliminate duplicates Z: 17 17.040 2.014 0.681 0.691 0.938 0.688 CB 1.127 17 residues pruned to eliminate duplicates Z: 36 18.999 1.938 0.643 0.519 0.857 0.457 CB 1.155 36 residues pruned to eliminate duplicates Z: 27 18.889 1.986 0.611 0.568 0.923 0.385 CB 1.174 27 residues pruned to eliminate duplicates Z: 36 18.915 1.995 0.468 0.481 0.857 0.543 CB 1.299 36 residues pruned to eliminate duplicates Z: 29 19.092 2.021 0.555 0.497 0.857 0.500 CB 1.344 29 residues pruned to eliminate duplicates Z: 34 16.630 1.809 0.639 0.479 0.909 0.576 CB 1.098 34 residues pruned to eliminate duplicates Z: 40 23.984 1.966 0.483 0.621 0.897 0.564 CB 1.309 40 residues pruned to eliminate duplicates Z: 26 21.057 2.034 0.671 0.583 0.880 0.520 CB 1.300 26 residues pruned to eliminate duplicates Z: 27 18.283 2.012 0.732 0.582 0.808 0.385 CB 1.178 27 residues pruned to eliminate duplicates Z: 39 24.765 1.969 0.696 0.618 0.868 0.526 CB 1.239 39 residues pruned to eliminate duplicates Z: 24 11.871 1.861 0.388 0.535 0.739 0.391 CB 1.252 24 residues pruned to eliminate duplicates Z: 14 10.799 1.728 0.510 0.447 1.000 0.385 N 1.212 14 residues pruned to eliminate duplicates Z: 26 22.994 2.047 0.869 0.622 0.960 0.600 CB 1.115 26 residues pruned to eliminate duplicates Z: 27 19.362 1.860 0.614 0.580 0.923 0.577 CB 1.268 27 residues pruned to eliminate duplicates Z: 24 13.302 1.818 0.491 0.597 0.783 0.565 CB 1.192 24 residues pruned to eliminate duplicates Z: 23 18.772 1.897 0.512 0.528 0.955 0.545 CA 1.422 23 residues pruned to eliminate duplicates Z: 56 29.037 1.904 0.570 0.545 0.891 0.636 CB 1.407 56 residues pruned to eliminate duplicates Z: 22 15.566 1.882 0.455 0.501 0.905 0.429 CB 1.369 22 residues pruned to eliminate duplicates Z: 16 11.558 1.801 0.243 0.702 0.867 0.533 CB 1.279 16 residues pruned to eliminate duplicates Z: 17 14.526 1.847 0.559 0.607 0.938 0.625 CB 1.216 17 residues pruned to eliminate duplicates Z: 17 14.120 1.849 0.460 0.603 0.875 0.688 CB 1.355 17 residues pruned to eliminate duplicates Z: 52 30.043 1.927 0.595 0.642 0.922 0.745 CB 1.301 52 residues pruned to eliminate duplicates Z: 16 12.409 1.835 0.389 0.640 0.933 0.800 CB 1.181 16 residues pruned to eliminate duplicates Z: 17 11.589 1.679 0.431 0.622 0.875 0.562 CA 1.228 17 residues pruned to eliminate duplicates Z: 21 12.676 1.831 0.457 0.547 0.900 0.500 CB 1.128 21 residues pruned to eliminate duplicates Z: 17 10.518 1.822 0.239 0.639 0.875 0.688 CB 1.169 17 residues pruned to eliminate duplicates Z: 16 10.489 1.772 0.262 0.692 0.867 0.600 CA 1.172 16 residues pruned to eliminate duplicates Z: 47 31.805 1.933 0.568 0.658 0.978 0.674 CB 1.366 47 residues pruned to eliminate duplicates Z: 18 10.706 1.815 0.223 0.609 0.882 0.588 CB 1.196 18 residues pruned to eliminate duplicates Z: 15 12.929 1.855 0.500 0.700 0.857 0.571 CB 1.207 15 residues pruned to eliminate duplicates Z: 40 26.647 1.923 0.512 0.669 0.923 0.718 CA 1.361 40 residues pruned to eliminate duplicates Z: 30 28.279 1.988 0.571 0.685 1.000 0.724 CB 1.418 30 residues pruned to eliminate duplicates Z: 41 23.294 1.872 0.538 0.623 0.850 0.625 CB 1.340 41 residues pruned to eliminate duplicates Z: 32 27.680 1.958 0.612 0.617 0.935 0.548 CA 1.506 32 residues pruned to eliminate duplicates Z: 28 30.470 2.025 0.676 0.710 1.000 0.778 CA 1.428 28 residues pruned to eliminate duplicates Z: 28 28.337 2.051 0.549 0.708 0.963 0.778 CA 1.475 28 residues pruned to eliminate duplicates Z: 48 32.098 1.951 0.541 0.648 0.957 0.723 CB 1.417 48 residues pruned to eliminate duplicates Z: 28 26.523 1.973 0.634 0.727 0.926 0.852 CA 1.393 28 residues pruned to eliminate duplicates Z: 54 30.330 1.927 0.643 0.619 0.925 0.698 CB 1.272 54 residues pruned to eliminate duplicates Z: 37 29.818 1.989 0.665 0.675 0.917 0.694 CA 1.393 37 residues pruned to eliminate duplicates Z: 28 26.434 1.975 0.729 0.697 0.889 0.704 CA 1.400 28 residues pruned to eliminate duplicates Z: 26 31.056 2.011 0.753 0.781 0.920 0.760 CB 1.494 26 residues pruned to eliminate duplicates Z: 29 28.872 2.026 0.664 0.707 0.929 0.786 CA 1.443 29 residues pruned to eliminate duplicates Z: 45 33.044 1.974 0.707 0.687 0.909 0.568 CB 1.371 45 residues pruned to eliminate duplicates Z: 35 24.490 1.884 0.755 0.594 0.882 0.618 CB 1.315 35 residues pruned to eliminate duplicates Z: 29 32.804 2.032 0.773 0.690 0.964 0.714 CB 1.499 29 residues pruned to eliminate duplicates Z: 30 29.894 2.016 0.682 0.692 0.931 0.759 CB 1.476 30 residues pruned to eliminate duplicates Z: 27 34.514 2.028 0.837 0.765 0.962 0.692 CA 1.494 27 residues pruned to eliminate duplicates Z: 31 27.875 2.024 0.631 0.647 0.900 0.667 CA 1.493 31 residues pruned to eliminate duplicates Z: 31 32.851 2.008 0.810 0.672 0.967 0.667 CB 1.456 31 residues pruned to eliminate duplicates Z: 37 30.350 1.997 0.687 0.678 0.944 0.667 CA 1.350 37 residues pruned to eliminate duplicates Z: 36 28.444 2.010 0.731 0.675 0.886 0.657 CB 1.328 36 residues pruned to eliminate duplicates Z: 56 32.950 1.926 0.722 0.629 0.964 0.618 CB 1.231 56 residues pruned to eliminate duplicates Z: 28 31.422 2.027 0.791 0.717 0.963 0.704 CB 1.422 28 residues pruned to eliminate duplicates Z: 48 26.599 1.892 0.610 0.623 0.915 0.681 CB 1.239 48 residues pruned to eliminate duplicates Z: 38 32.120 2.016 0.791 0.652 0.946 0.649 CB 1.341 38 residues pruned to eliminate duplicates Z: 52 34.921 1.932 0.740 0.676 0.961 0.647 CB 1.288 52 residues pruned to eliminate duplicates Z: 58 29.531 1.900 0.620 0.597 0.930 0.596 CB 1.246 58 residues pruned to eliminate duplicates Z: 33 35.695 2.040 0.898 0.709 0.938 0.719 CA 1.438 33 residues pruned to eliminate duplicates Z: 36 28.201 1.920 0.818 0.649 0.886 0.571 CA 1.342 36 residues pruned to eliminate duplicates Z: 65 42.150 2.032 0.793 0.590 0.953 0.688 CA 1.392 65 residues pruned to eliminate duplicates Z: 56 30.065 1.934 0.698 0.603 0.891 0.600 CB 1.257 56 residues pruned to eliminate duplicates Z: 55 32.958 1.944 0.651 0.646 0.981 0.648 CB 1.242 55 residues pruned to eliminate duplicates Z: 41 27.726 1.964 0.675 0.636 0.950 0.650 CB 1.235 41 residues pruned to eliminate duplicates Z: 38 35.364 2.014 0.894 0.673 1.000 0.649 CB 1.300 38 residues pruned to eliminate duplicates Z: 40 30.400 1.984 0.724 0.621 0.974 0.641 CB 1.302 40 residues pruned to eliminate duplicates Z: 38 31.843 2.024 0.750 0.679 0.919 0.649 CB 1.365 38 residues pruned to eliminate duplicates Z: 42 27.407 1.980 0.647 0.606 0.902 0.585 CB 1.315 42 residues pruned to eliminate duplicates Z: 37 30.054 2.000 0.784 0.691 0.889 0.639 CB 1.327 37 residues pruned to eliminate duplicates Z: 63 30.951 1.919 0.754 0.493 0.919 0.645 CB 1.279 60 residues pruned to eliminate duplicates Z: 6 3.291 1.444 0.358 0.366 1.000 0.600 N 0.866 Z: 7 4.571 1.496 0.658 0.508 0.833 0.833 CA 0.896 6 residues pruned to eliminate duplicates Z: 6 6.145 1.628 0.872 0.321 1.000 0.600 CB 1.097 6 residues pruned to eliminate duplicates Z: 43 24.352 2.009 0.630 0.484 0.929 0.643 CA 1.255 50 residues pruned to eliminate duplicates Z: 44 28.738 1.993 0.699 0.568 0.930 0.651 CA 1.303 44 residues pruned to eliminate duplicates Z: 62 29.928 1.977 0.659 0.503 0.902 0.541 CA 1.292 62 residues pruned to eliminate duplicates Z: 42 25.095 2.033 0.626 0.507 0.878 0.659 CA 1.340 42 residues pruned to eliminate duplicates Z: 38 22.081 1.981 0.594 0.498 0.919 0.541 CA 1.253 38 residues pruned to eliminate duplicates Z: 45 28.653 2.004 0.695 0.567 0.909 0.568 CB 1.311 45 residues pruned to eliminate duplicates Z: 14 24.943 1.993 0.831 0.882 1.000 0.923 CA 1.372 14 residues pruned to eliminate duplicates Z: 37 29.817 2.084 0.677 0.584 0.917 0.722 CB 1.431 37 residues pruned to eliminate duplicates Z: 25 26.587 2.036 0.881 0.615 0.833 0.750 CA 1.525 25 residues pruned to eliminate duplicates Z: 64 43.451 2.032 0.757 0.611 0.952 0.667 CB 1.450 64 residues pruned to eliminate duplicates Z: 32 31.708 2.084 0.863 0.523 1.000 0.645 CA 1.433 32 residues pruned to eliminate duplicates Z: 40 32.433 2.077 0.833 0.547 0.923 0.692 CA 1.411 40 residues pruned to eliminate duplicates Z: 42 31.058 2.001 0.837 0.523 0.927 0.610 CB 1.392 40 residues pruned to eliminate duplicates Z: 13 27.250 2.094 0.918 0.885 0.917 0.750 CA 1.542 13 residues pruned to eliminate duplicates Z: 52 31.004 2.028 0.863 0.481 0.902 0.667 CA 1.299 45 residues pruned to eliminate duplicates Z: 15 28.126 1.984 1.081 0.791 0.929 0.643 CA 1.519 15 residues pruned to eliminate duplicates Z: 38 31.794 2.078 0.845 0.549 0.919 0.649 CA 1.415 38 residues pruned to eliminate duplicates Z: 41 27.948 2.028 0.729 0.505 0.950 0.600 CA 1.320 41 residues pruned to eliminate duplicates Z: 38 34.610 2.063 0.883 0.580 0.946 0.730 CA 1.434 38 residues pruned to eliminate duplicates Z: 24 27.424 2.096 0.958 0.616 0.826 0.652 CB 1.512 24 residues pruned to eliminate duplicates Z: 50 28.390 1.975 0.750 0.466 0.918 0.633 CB 1.322 50 residues pruned to eliminate duplicates Z: 38 28.806 2.044 0.695 0.528 0.946 0.595 CA 1.406 38 residues pruned to eliminate duplicates Z: 42 28.635 2.009 0.772 0.505 0.927 0.610 CB 1.349 42 residues pruned to eliminate duplicates Z: 39 33.435 2.074 0.868 0.546 0.921 0.579 CB 1.453 39 residues pruned to eliminate duplicates Z: 38 24.664 2.038 0.682 0.452 0.865 0.541 CA 1.437 38 residues pruned to eliminate duplicates Z: 54 35.277 2.056 0.826 0.514 0.887 0.547 CB 1.435 50 residues pruned to eliminate duplicates 6 1.394 1.448 0.850 0.154 0.600 0.200 CB 0.593 ? Z: 9 16.192 1.961 1.114 0.619 0.875 0.250 CA 1.410 9 residues pruned to eliminate duplicates Z: 42 34.390 2.095 0.871 0.527 0.878 0.610 CB 1.520 15 residues pruned to eliminate duplicates Z: 8 15.335 1.878 0.954 0.726 0.857 0.286 CA 1.503 Z: 43 35.686 2.086 0.939 0.534 0.929 0.643 CB 1.418 51 residues pruned to eliminate duplicates Z: 7 11.601 1.953 0.915 0.741 0.833 0.500 CB 1.225 Z: 11 10.283 2.059 0.938 0.331 0.700 0.600 N 1.402 18 residues pruned to eliminate duplicates Z: 22 14.968 2.021 0.701 0.336 0.810 0.429 CB 1.403 22 residues pruned to eliminate duplicates Z: 44 32.671 2.078 0.768 0.493 0.930 0.558 CB 1.468 44 residues pruned to eliminate duplicates Z: 42 33.550 2.055 0.829 0.529 0.951 0.634 CB 1.424 42 residues pruned to eliminate duplicates Z: 6 5.226 1.745 0.585 0.357 1.000 0.600 N 0.987 6 residues pruned to eliminate duplicates Z: 42 35.298 2.118 0.876 0.506 0.902 0.610 CB 1.529 42 residues pruned to eliminate duplicates Z: 43 32.712 2.090 0.859 0.483 0.905 0.571 CB 1.460 43 residues pruned to eliminate duplicates Z: 43 30.710 2.064 0.810 0.499 0.881 0.571 CB 1.442 43 residues pruned to eliminate duplicates Z: 42 35.676 2.080 0.850 0.509 0.951 0.634 CB 1.509 42 residues pruned to eliminate duplicates Z: 35 33.775 2.096 0.958 0.550 0.882 0.676 CA 1.524 35 residues pruned to eliminate duplicates Z: 42 29.507 2.104 0.751 0.458 0.902 0.610 CB 1.447 42 residues pruned to eliminate duplicates Z: 30 25.235 2.047 0.771 0.515 0.897 0.655 CB 1.420 30 residues pruned to eliminate duplicates Z: 33 30.931 2.034 0.785 0.556 0.969 0.594 CB 1.472 33 residues pruned to eliminate duplicates Z: 66 43.957 2.087 0.909 0.521 0.923 0.523 CA 1.452 66 residues pruned to eliminate duplicates Z: 42 36.646 2.116 0.943 0.518 0.927 0.537 CB 1.475 42 residues pruned to eliminate duplicates Z: 13 27.868 2.041 1.230 0.870 1.000 0.667 CB 1.290 13 residues pruned to eliminate duplicates Z: 32 33.730 2.098 0.939 0.597 0.903 0.742 CA 1.503 32 residues pruned to eliminate duplicates Z: 43 32.961 2.088 0.867 0.491 0.929 0.500 CB 1.418 43 residues pruned to eliminate duplicates Z: 43 31.908 2.052 0.933 0.492 0.905 0.429 CB 1.382 43 residues pruned to eliminate duplicates Z: 42 34.003 2.090 1.002 0.480 0.878 0.512 CB 1.475 42 residues pruned to eliminate duplicates Z: 42 36.840 2.089 0.992 0.509 0.951 0.488 CB 1.440 42 residues pruned to eliminate duplicates Z: 34 30.906 2.070 0.939 0.551 0.879 0.576 CB 1.451 34 residues pruned to eliminate duplicates Z: 43 34.217 2.067 0.947 0.503 0.905 0.524 CB 1.445 43 residues pruned to eliminate duplicates Z: 42 35.010 2.094 1.002 0.513 0.951 0.463 CB 1.353 42 residues pruned to eliminate duplicates Z: 29 37.290 2.102 1.041 0.601 1.000 0.571 CB 1.492 29 residues pruned to eliminate duplicates Z: 8 11.383 1.839 0.594 0.604 1.000 0.429 CA 1.329 8 residues pruned to eliminate duplicates Z: 44 29.907 1.949 0.766 0.501 0.884 0.651 CA 1.498 44 residues pruned to eliminate duplicates Z: 20 14.211 1.903 0.541 0.386 0.895 0.368 CA 1.402 20 residues pruned to eliminate duplicates Z: 17 16.617 1.935 0.743 0.425 0.938 0.500 CB 1.420 17 residues pruned to eliminate duplicates Z: 43 28.138 1.962 0.586 0.484 0.929 0.524 CA 1.527 43 residues pruned to eliminate duplicates Z: 42 29.167 1.974 0.660 0.487 0.927 0.561 CA 1.520 42 residues pruned to eliminate duplicates Z: 42 31.680 2.003 0.756 0.510 0.902 0.585 CA 1.543 42 residues pruned to eliminate duplicates Z: 43 25.332 1.926 0.651 0.437 0.929 0.595 CA 1.412 43 residues pruned to eliminate duplicates Z: 44 28.785 1.947 0.723 0.461 0.930 0.535 CB 1.464 44 residues pruned to eliminate duplicates Z: 43 28.514 1.952 0.720 0.459 0.929 0.595 CA 1.473 43 residues pruned to eliminate duplicates Z: 18 15.018 1.886 0.816 0.383 0.882 0.353 CB 1.366 18 residues pruned to eliminate duplicates Z: 44 26.948 1.947 0.775 0.431 0.907 0.628 CA 1.408 44 residues pruned to eliminate duplicates Z: 43 29.689 1.961 0.840 0.454 0.929 0.643 CA 1.433 43 residues pruned to eliminate duplicates Z: 43 27.076 1.947 0.739 0.471 0.881 0.548 CA 1.441 43 residues pruned to eliminate duplicates Z: 42 28.051 1.971 0.619 0.458 0.976 0.610 CA 1.468 42 residues pruned to eliminate duplicates Z: 33 24.084 1.980 0.706 0.440 0.906 0.500 CB 1.480 33 residues pruned to eliminate duplicates Z: 33 26.799 2.029 0.695 0.448 0.938 0.625 CA 1.550 33 residues pruned to eliminate duplicates Z: 27 20.407 1.903 0.602 0.556 0.923 0.731 CA 1.347 27 residues pruned to eliminate duplicates Z: 43 26.175 1.959 0.600 0.456 0.929 0.619 CA 1.452 43 residues pruned to eliminate duplicates Z: 44 29.164 1.974 0.755 0.477 0.884 0.674 CA 1.488 44 residues pruned to eliminate duplicates Z: 33 26.033 1.989 0.610 0.445 1.000 0.469 CA 1.521 33 residues pruned to eliminate duplicates Z: 41 28.311 1.968 0.733 0.483 0.900 0.575 CB 1.483 41 residues pruned to eliminate duplicates Z: 25 22.686 1.963 0.722 0.553 0.958 0.583 CA 1.357 25 residues pruned to eliminate duplicates Z: 31 19.578 1.863 0.717 0.493 0.867 0.667 CA 1.299 31 residues pruned to eliminate duplicates Z: 27 25.489 1.911 0.773 0.599 0.962 0.731 CA 1.396 27 residues pruned to eliminate duplicates Z: 26 26.432 1.947 0.882 0.601 0.880 0.640 CA 1.489 26 residues pruned to eliminate duplicates Z: 43 27.033 1.922 0.676 0.440 0.929 0.476 CA 1.483 43 residues pruned to eliminate duplicates Z: 46 27.833 1.927 0.670 0.437 0.933 0.400 CA 1.475 46 residues pruned to eliminate duplicates Z: 44 29.909 1.977 0.757 0.450 0.907 0.535 CA 1.524 44 residues pruned to eliminate duplicates Z: 43 28.942 1.956 0.747 0.450 0.952 0.405 CA 1.445 43 residues pruned to eliminate duplicates Z: 25 25.835 1.982 0.952 0.587 0.875 0.583 CA 1.433 25 residues pruned to eliminate duplicates Z: 6 2.761 1.459 0.199 0.273 1.000 0.400 CA 0.913 6 residues pruned to eliminate duplicates Z: 43 30.149 1.964 0.850 0.495 0.881 0.595 CA 1.460 43 residues pruned to eliminate duplicates Z: 43 28.151 1.934 0.743 0.457 0.952 0.548 CA 1.413 43 residues pruned to eliminate duplicates Z: 43 27.975 1.937 0.763 0.469 0.905 0.476 CA 1.441 43 residues pruned to eliminate duplicates Z: 42 30.954 1.957 0.816 0.484 0.951 0.512 CA 1.453 42 residues pruned to eliminate duplicates Z: 28 23.000 1.886 0.841 0.575 0.889 0.593 CB 1.334 28 residues pruned to eliminate duplicates Z: 37 24.485 1.952 0.697 0.491 0.889 0.556 CA 1.398 37 residues pruned to eliminate duplicates Z: 42 21.341 1.894 0.554 0.452 0.902 0.659 CB 1.318 46 residues pruned to eliminate duplicates Z: 15 20.018 1.980 0.601 0.647 1.000 0.714 CB 1.471 17 residues pruned to eliminate duplicates Z: 7 7.020 1.744 0.461 0.845 1.000 1.000 CB 0.836 7 residues pruned to eliminate duplicates Z: 15 12.397 1.767 0.459 0.542 1.000 0.571 CA 1.234 15 residues pruned to eliminate duplicates Z: 39 16.899 1.938 0.557 0.356 0.868 0.474 CB 1.222 39 residues pruned to eliminate duplicates Z: 37 18.623 1.870 0.645 0.362 0.861 0.556 CA 1.359 37 residues pruned to eliminate duplicates Z: 45 20.857 1.882 0.643 0.410 0.886 0.568 CA 1.261 45 residues pruned to eliminate duplicates Z: 22 15.284 1.946 0.586 0.448 0.857 0.524 CB 1.330 22 residues pruned to eliminate duplicates Z: 26 16.435 1.968 0.595 0.356 0.880 0.600 CA 1.390 26 residues pruned to eliminate duplicates Z: 27 16.520 1.973 0.538 0.397 0.846 0.654 CB 1.406 27 residues pruned to eliminate duplicates Z: 31 18.393 1.929 0.564 0.417 0.900 0.600 CA 1.348 31 residues pruned to eliminate duplicates Z: 40 21.675 1.928 0.612 0.468 0.872 0.564 CB 1.323 40 residues pruned to eliminate duplicates Z: 45 20.511 1.913 0.493 0.437 0.932 0.614 CB 1.241 45 residues pruned to eliminate duplicates Z: 30 21.054 1.959 0.585 0.455 0.966 0.586 CA 1.366 30 residues pruned to eliminate duplicates Z: 39 21.181 1.922 0.495 0.494 0.921 0.684 CB 1.306 39 residues pruned to eliminate duplicates Z: 6 7.440 1.694 0.659 0.427 1.000 0.600 CA 1.277 6 residues pruned to eliminate duplicates Z: 39 23.426 1.963 0.560 0.451 0.974 0.605 CB 1.339 39 residues pruned to eliminate duplicates Z: 37 23.387 1.970 0.557 0.462 0.944 0.639 CB 1.399 38 residues pruned to eliminate duplicates Z: 6 2.224 1.548 0.332 0.182 0.800 0.200 CA 0.884 6 residues pruned to eliminate duplicates Z: 38 24.520 1.951 0.704 0.504 0.919 0.622 CB 1.314 38 residues pruned to eliminate duplicates Z: 38 21.366 1.954 0.548 0.493 0.946 0.486 CB 1.236 38 residues pruned to eliminate duplicates Z: 80 38.496 2.014 0.815 0.424 0.949 0.608 CB 1.350 117 residues pruned to eliminate duplicates Z: 17 10.022 1.856 0.643 0.266 0.875 0.312 CB 1.226 Z: 7 6.292 1.838 0.578 0.652 0.833 0.500 CB 0.923 7 residues pruned to eliminate duplicates Z: 37 24.595 1.993 0.665 0.490 0.917 0.694 CB 1.361 17 residues pruned to eliminate duplicates Z: 7 6.457 1.758 0.294 0.820 1.000 0.833 CB 0.878 7 residues pruned to eliminate duplicates Z: 32 19.371 1.896 0.634 0.413 0.935 0.613 CB 1.315 32 residues pruned to eliminate duplicates Z: 12 11.232 1.890 0.780 0.468 0.818 0.545 CA 1.272 12 residues pruned to eliminate duplicates Z: 37 25.367 1.983 0.638 0.489 0.972 0.667 CB 1.353 37 residues pruned to eliminate duplicates Z: 6 2.479 1.448 0.261 0.429 1.000 0.800 CB 0.654 6 residues pruned to eliminate duplicates Z: 45 20.860 1.907 0.683 0.406 0.886 0.432 CB 1.220 38 residues pruned to eliminate duplicates Z: 6 5.616 1.500 0.560 0.440 1.000 0.400 C 1.141 6 residues pruned to eliminate duplicates Z: 42 22.308 1.978 0.641 0.454 0.878 0.561 CB 1.281 42 residues pruned to eliminate duplicates Z: 36 16.006 1.814 0.566 0.477 0.829 0.514 CB 1.177 36 residues pruned to eliminate duplicates Z: 42 27.137 1.896 0.689 0.596 0.927 0.610 CB 1.302 42 residues pruned to eliminate duplicates Z: 29 22.671 1.926 0.772 0.619 0.929 0.643 CB 1.208 29 residues pruned to eliminate duplicates Z: 30 20.324 1.823 0.831 0.601 0.931 0.690 CB 1.103 30 residues pruned to eliminate duplicates Z: 69 34.059 1.951 0.542 0.619 0.912 0.676 CB 1.345 69 residues pruned to eliminate duplicates Z: 31 19.019 1.872 0.760 0.557 0.900 0.667 CB 1.108 31 residues pruned to eliminate duplicates Z: 30 22.117 1.950 0.795 0.583 0.897 0.690 CB 1.208 30 residues pruned to eliminate duplicates Z: 28 22.363 1.936 0.859 0.593 0.926 0.667 CB 1.182 28 residues pruned to eliminate duplicates Z: 28 24.697 1.943 0.961 0.597 0.963 0.556 CB 1.181 28 residues pruned to eliminate duplicates Z: 31 22.024 1.885 0.699 0.540 0.933 0.567 CB 1.294 31 residues pruned to eliminate duplicates Z: 44 27.016 1.875 0.649 0.578 0.907 0.535 CB 1.364 44 residues pruned to eliminate duplicates Z: 39 25.424 1.881 0.736 0.566 0.921 0.684 CB 1.286 39 residues pruned to eliminate duplicates Z: 45 20.257 1.865 0.632 0.514 0.841 0.591 CB 1.176 45 residues pruned to eliminate duplicates Z: 41 26.524 1.891 0.683 0.567 0.950 0.600 CB 1.300 41 residues pruned to eliminate duplicates Z: 31 22.816 1.920 0.810 0.550 0.900 0.633 CB 1.268 31 residues pruned to eliminate duplicates Z: 16 10.937 1.802 0.626 0.476 0.867 0.533 CB 1.140 16 residues pruned to eliminate duplicates Z: 31 20.512 1.940 0.711 0.585 0.867 0.667 CB 1.201 31 residues pruned to eliminate duplicates Z: 20 18.652 1.864 0.699 0.531 0.947 0.579 CB 1.384 20 residues pruned to eliminate duplicates Z: 16 10.869 1.732 0.761 0.405 0.800 0.267 CB 1.271 16 residues pruned to eliminate duplicates Z: 13 11.858 1.882 0.725 0.432 0.833 0.583 CB 1.358 13 residues pruned to eliminate duplicates Z: 21 15.440 1.810 0.552 0.508 0.900 0.500 CA 1.355 21 residues pruned to eliminate duplicates Z: 21 14.679 1.809 0.623 0.446 0.850 0.550 CA 1.390 21 residues pruned to eliminate duplicates Z: 60 30.841 1.913 0.556 0.564 0.932 0.661 CB 1.360 60 residues pruned to eliminate duplicates Z: 14 12.125 1.852 0.721 0.489 0.846 0.538 CB 1.261 14 residues pruned to eliminate duplicates Z: 19 13.784 1.761 0.516 0.532 0.944 0.722 CA 1.248 19 residues pruned to eliminate duplicates Z: 19 19.135 1.914 0.595 0.522 1.000 0.556 CA 1.445 19 residues pruned to eliminate duplicates Z: 52 26.521 1.919 0.459 0.618 0.941 0.725 CA 1.261 52 residues pruned to eliminate duplicates Z: 61 27.278 1.885 0.527 0.545 0.850 0.550 CA 1.378 61 residues pruned to eliminate duplicates Z: 22 12.208 1.810 0.565 0.400 0.810 0.571 CB 1.291 22 residues pruned to eliminate duplicates Z: 9 8.308 1.718 0.332 0.633 1.000 0.625 CA 1.133 9 residues pruned to eliminate duplicates Z: 15 11.155 1.752 0.319 0.632 0.857 0.357 CA 1.329 15 residues pruned to eliminate duplicates Z: 24 13.570 1.812 0.482 0.545 0.826 0.522 CB 1.220 24 residues pruned to eliminate duplicates Z: 22 11.644 1.831 0.385 0.566 0.857 0.571 CB 1.096 22 residues pruned to eliminate duplicates Z: 79 38.356 1.984 0.491 0.631 0.974 0.718 CA 1.332 79 residues pruned to eliminate duplicates Z: 45 30.410 1.955 0.581 0.661 0.932 0.750 CA 1.371 45 residues pruned to eliminate duplicates Z: 78 39.140 1.941 0.624 0.620 0.948 0.688 CB 1.333 78 residues pruned to eliminate duplicates Z: 81 32.241 1.929 0.555 0.537 0.900 0.562 CB 1.288 81 residues pruned to eliminate duplicates Z: 59 32.999 1.935 0.629 0.626 0.966 0.724 CA 1.265 59 residues pruned to eliminate duplicates Z: 45 33.189 1.985 0.536 0.708 0.977 0.773 CA 1.390 45 residues pruned to eliminate duplicates Z: 63 31.019 1.955 0.519 0.571 0.935 0.629 CA 1.324 63 residues pruned to eliminate duplicates Z: 79 30.661 1.949 0.502 0.514 0.897 0.603 CB 1.303 79 residues pruned to eliminate duplicates Z: 64 30.766 1.968 0.468 0.581 0.921 0.667 CB 1.348 64 residues pruned to eliminate duplicates Z: 53 34.292 1.962 0.653 0.650 0.942 0.712 CB 1.353 53 residues pruned to eliminate duplicates Z: 52 35.273 1.989 0.681 0.662 0.961 0.745 CB 1.323 52 residues pruned to eliminate duplicates Z: 53 32.452 1.979 0.498 0.625 0.962 0.731 CA 1.403 53 residues pruned to eliminate duplicates Z: 55 28.117 1.926 0.503 0.672 0.926 0.611 CB 1.218 55 residues pruned to eliminate duplicates Z: 53 31.285 1.925 0.602 0.674 0.942 0.654 CA 1.272 53 residues pruned to eliminate duplicates Z: 46 33.196 1.959 0.661 0.675 0.933 0.711 CB 1.387 46 residues pruned to eliminate duplicates Z: 54 34.828 1.948 0.635 0.691 0.981 0.755 CB 1.286 54 residues pruned to eliminate duplicates Z: 53 32.748 1.968 0.675 0.626 0.942 0.654 CB 1.299 53 residues pruned to eliminate duplicates Z: 69 41.274 1.946 0.771 0.631 0.926 0.706 CB 1.386 69 residues pruned to eliminate duplicates Z: 62 29.397 1.951 0.512 0.608 0.918 0.656 CB 1.255 62 residues pruned to eliminate duplicates Z: 53 31.519 1.949 0.598 0.619 0.923 0.673 CB 1.359 53 residues pruned to eliminate duplicates Z: 26 28.383 2.089 0.568 0.804 0.960 0.760 CA 1.385 26 residues pruned to eliminate duplicates Z: 30 24.951 2.035 0.575 0.704 0.897 0.621 CB 1.339 30 residues pruned to eliminate duplicates Z: 44 34.685 1.996 0.669 0.707 0.953 0.721 CB 1.380 44 residues pruned to eliminate duplicates Z: 57 32.811 1.942 0.670 0.598 0.929 0.643 CB 1.326 57 residues pruned to eliminate duplicates Z: 50 32.856 1.919 0.614 0.687 0.980 0.673 CA 1.304 50 residues pruned to eliminate duplicates Z: 50 38.787 2.004 0.710 0.692 1.000 0.776 CB 1.356 50 residues pruned to eliminate duplicates Z: 57 35.550 1.951 0.587 0.644 0.964 0.714 CB 1.391 57 residues pruned to eliminate duplicates Z: 27 29.517 2.018 0.672 0.765 0.923 0.692 CB 1.469 27 residues pruned to eliminate duplicates Z: 44 33.579 1.977 0.614 0.719 0.977 0.791 CB 1.348 44 residues pruned to eliminate duplicates Z: 49 25.592 1.962 0.552 0.550 0.896 0.521 CB 1.290 49 residues pruned to eliminate duplicates Z: 34 29.227 2.073 0.611 0.667 0.970 0.606 CB 1.347 34 residues pruned to eliminate duplicates Z: 62 32.608 1.984 0.578 0.588 0.934 0.541 CB 1.312 62 residues pruned to eliminate duplicates Z: 42 28.944 2.043 0.604 0.579 0.927 0.585 CA 1.380 42 residues pruned to eliminate duplicates Z: 52 37.457 1.993 0.648 0.661 1.000 0.765 CA 1.375 52 residues pruned to eliminate duplicates Z: 63 33.646 1.966 0.583 0.589 0.935 0.694 CB 1.348 63 residues pruned to eliminate duplicates Z: 80 38.550 1.980 0.585 0.604 0.924 0.671 CB 1.355 79 residues pruned to eliminate duplicates Z: 6 4.883 1.633 0.704 0.496 1.000 0.800 CA 0.788 6 residues pruned to eliminate duplicates Z: 82 42.912 1.991 0.594 0.648 0.963 0.679 CB 1.359 82 residues pruned to eliminate duplicates Z: 42 28.359 2.061 0.526 0.604 0.927 0.756 CA 1.376 42 residues pruned to eliminate duplicates Z: 46 23.138 1.980 0.554 0.510 0.889 0.644 CA 1.249 46 residues pruned to eliminate duplicates Z: 12 7.777 1.913 0.467 0.270 0.818 0.545 CB 1.327 12 residues pruned to eliminate duplicates Z: 38 25.663 1.933 0.717 0.600 0.919 0.676 CB 1.257 38 residues pruned to eliminate duplicates Z: 13 6.176 1.868 0.548 0.213 0.750 0.250 CB 1.153 13 residues pruned to eliminate duplicates Z: 39 22.174 1.881 0.547 0.538 0.921 0.684 CB 1.293 39 residues pruned to eliminate duplicates Z: 40 23.279 1.877 0.558 0.586 0.949 0.667 CB 1.238 40 residues pruned to eliminate duplicates Z: 14 4.942 1.860 0.414 0.211 0.692 0.462 CB 1.059 14 residues pruned to eliminate duplicates Z: 44 26.315 1.888 0.585 0.573 0.953 0.814 CB 1.311 44 residues pruned to eliminate duplicates Z: 31 21.218 1.973 0.472 0.582 1.000 0.733 CA 1.233 31 residues pruned to eliminate duplicates Z: 38 27.781 1.944 0.668 0.611 0.973 0.649 CB 1.303 38 residues pruned to eliminate duplicates Z: 37 27.248 1.969 0.689 0.592 0.944 0.750 CB 1.325 37 residues pruned to eliminate duplicates Z: 37 27.611 1.968 0.725 0.594 0.972 0.722 CB 1.275 37 residues pruned to eliminate duplicates Z: 38 24.651 1.936 0.686 0.537 0.946 0.730 CB 1.265 38 residues pruned to eliminate duplicates Z: 44 25.632 1.906 0.688 0.543 0.907 0.651 CB 1.285 44 residues pruned to eliminate duplicates Z: 38 26.355 1.952 0.653 0.568 0.946 0.622 CB 1.330 38 residues pruned to eliminate duplicates Z: 38 25.739 1.938 0.714 0.568 0.946 0.784 CB 1.261 38 residues pruned to eliminate duplicates Z: 38 26.109 1.918 0.762 0.540 0.973 0.649 CB 1.256 38 residues pruned to eliminate duplicates Z: 37 20.625 1.932 0.632 0.477 0.889 0.639 CB 1.255 37 residues pruned to eliminate duplicates Z: 42 25.479 1.910 0.669 0.559 0.902 0.561 CB 1.307 42 residues pruned to eliminate duplicates Z: 38 23.713 2.002 0.593 0.529 0.946 0.757 CB 1.256 38 residues pruned to eliminate duplicates Z: 41 25.976 1.885 0.735 0.558 0.925 0.625 CB 1.283 41 residues pruned to eliminate duplicates Z: 38 29.536 1.952 0.720 0.627 0.973 0.730 CB 1.319 38 residues pruned to eliminate duplicates Z: 38 25.405 1.946 0.795 0.563 0.892 0.730 CB 1.261 39 residues pruned to eliminate duplicates Z: 6 4.428 1.542 0.553 0.485 1.000 0.800 CA 0.839 6 residues pruned to eliminate duplicates Z: 38 27.384 1.960 0.715 0.582 0.946 0.676 CB 1.309 38 residues pruned to eliminate duplicates Z: 45 24.602 1.861 0.563 0.565 0.955 0.636 CB 1.254 45 residues pruned to eliminate duplicates Z: 11 9.897 1.859 0.538 0.599 0.900 0.800 CA 1.106 11 residues pruned to eliminate duplicates Z: 19 24.065 2.029 0.853 0.675 1.000 0.833 CA 1.284 19 residues pruned to eliminate duplicates Z: 39 23.657 1.902 0.710 0.533 0.947 0.632 CB 1.207 39 residues pruned to eliminate duplicates Z: 45 23.642 1.851 0.672 0.505 0.955 0.591 CB 1.200 45 residues pruned to eliminate duplicates Z: 20 16.736 1.952 0.617 0.473 0.895 0.368 CB 1.396 20 residues pruned to eliminate duplicates Z: 43 35.865 2.093 0.731 0.547 0.952 0.619 CB 1.533 43 residues pruned to eliminate duplicates Z: 8 8.964 1.867 0.297 0.695 0.857 0.429 CA 1.366 8 residues pruned to eliminate duplicates Z: 40 34.930 2.095 0.862 0.566 0.923 0.487 CB 1.458 40 residues pruned to eliminate duplicates Z: 16 21.375 2.018 0.651 0.529 1.000 0.400 CA 1.610 16 residues pruned to eliminate duplicates Z: 40 39.257 2.075 0.927 0.572 0.897 0.590 CB 1.635 40 residues pruned to eliminate duplicates Z: 74 33.782 1.933 0.761 0.469 0.890 0.534 CB 1.347 77 residues pruned to eliminate duplicates Z: 6 4.021 1.887 0.081 0.633 0.600 0.200 CB 1.297 6 residues pruned to eliminate duplicates Z: 39 41.111 2.162 0.889 0.585 0.921 0.711 CB 1.634 39 residues pruned to eliminate duplicates Z: 41 41.307 2.137 0.838 0.600 0.950 0.650 CB 1.591 41 residues pruned to eliminate duplicates Z: 41 34.377 2.094 0.689 0.576 0.900 0.650 CB 1.586 41 residues pruned to eliminate duplicates Z: 40 42.113 2.159 0.895 0.566 0.974 0.590 CB 1.587 40 residues pruned to eliminate duplicates Z: 43 39.250 2.103 0.889 0.568 1.000 0.500 CB 1.427 43 residues pruned to eliminate duplicates Z: 44 37.953 2.105 0.841 0.556 0.930 0.488 CB 1.521 44 residues pruned to eliminate duplicates Z: 41 36.885 2.156 0.872 0.556 0.900 0.575 CB 1.520 41 residues pruned to eliminate duplicates Z: 42 37.239 2.148 0.838 0.575 0.902 0.512 CB 1.518 41 residues pruned to eliminate duplicates Z: 6 4.919 1.737 0.488 0.292 0.800 0.400 N 1.343 6 residues pruned to eliminate duplicates Z: 32 35.361 2.198 0.870 0.583 0.903 0.613 CB 1.580 32 residues pruned to eliminate duplicates Z: 39 38.278 2.158 0.771 0.574 0.947 0.632 CB 1.597 39 residues pruned to eliminate duplicates Z: 40 39.976 2.169 0.869 0.569 0.949 0.615 CB 1.557 40 residues pruned to eliminate duplicates Z: 42 35.757 2.114 0.771 0.531 0.951 0.488 CB 1.520 42 residues pruned to eliminate duplicates Z: 13 28.272 2.103 1.010 0.843 1.000 0.917 CB 1.438 13 residues pruned to eliminate duplicates Z: 39 41.760 2.156 0.925 0.554 0.947 0.632 CB 1.634 39 residues pruned to eliminate duplicates Z: 41 38.853 2.169 0.799 0.566 0.950 0.550 CB 1.554 41 residues pruned to eliminate duplicates Z: 40 38.599 2.152 0.783 0.585 0.949 0.538 CB 1.565 40 residues pruned to eliminate duplicates Z: 40 41.857 2.160 0.955 0.587 0.923 0.564 CB 1.581 40 residues pruned to eliminate duplicates Z: 39 39.334 2.147 0.900 0.536 0.921 0.579 CB 1.639 39 residues pruned to eliminate duplicates Z: 31 29.970 2.024 0.753 0.573 0.900 0.567 CB 1.598 31 residues pruned to eliminate duplicates Z: 40 38.009 2.155 0.868 0.591 0.923 0.590 CB 1.501 40 residues pruned to eliminate duplicates Z: 43 36.373 2.118 0.796 0.542 0.952 0.548 CB 1.487 43 residues pruned to eliminate duplicates Z: 33 38.325 2.170 0.875 0.569 0.969 0.594 CB 1.608 33 residues pruned to eliminate duplicates Z: 34 34.251 2.135 0.896 0.536 0.939 0.606 CB 1.514 34 residues pruned to eliminate duplicates Z: 40 42.938 2.127 0.896 0.570 0.974 0.641 CB 1.635 40 residues pruned to eliminate duplicates Z: 42 35.915 2.116 0.765 0.551 0.927 0.488 CB 1.541 42 residues pruned to eliminate duplicates Z: 42 38.499 2.114 0.847 0.581 0.927 0.561 CB 1.537 42 residues pruned to eliminate duplicates Z: 43 38.478 2.099 0.808 0.546 1.000 0.500 CB 1.496 43 residues pruned to eliminate duplicates Z: 41 40.779 2.146 0.859 0.565 0.975 0.625 CB 1.556 41 residues pruned to eliminate duplicates Z: 39 40.494 2.160 0.922 0.564 0.947 0.526 CB 1.569 39 residues pruned to eliminate duplicates Z: 39 25.290 2.053 0.745 0.409 0.895 0.447 CB 1.408 39 residues pruned to eliminate duplicates Z: 33 23.319 1.926 0.681 0.552 0.938 0.594 CB 1.291 27 residues pruned to eliminate duplicates Z: 7 6.475 1.556 0.680 0.527 0.833 0.500 CA 1.182 7 residues pruned to eliminate duplicates Z: 32 18.765 1.919 0.696 0.524 0.839 0.613 CB 1.205 32 residues pruned to eliminate duplicates Z: 29 21.036 1.934 0.637 0.478 0.929 0.536 CB 1.383 29 residues pruned to eliminate duplicates Z: 9 6.700 1.736 0.490 0.381 0.875 0.500 N 1.188 9 residues pruned to eliminate duplicates Z: 25 32.044 2.109 0.691 0.816 1.000 0.750 CA 1.394 25 residues pruned to eliminate duplicates Z: 25 27.500 2.017 0.633 0.787 1.000 0.708 CA 1.324 25 residues pruned to eliminate duplicates Z: 25 29.160 2.119 0.730 0.803 0.958 0.750 CA 1.300 25 residues pruned to eliminate duplicates Z: 36 24.717 2.022 0.432 0.707 0.971 0.800 CB 1.232 36 residues pruned to eliminate duplicates Z: 25 32.925 2.132 0.827 0.813 0.958 0.750 CA 1.371 25 residues pruned to eliminate duplicates Z: 25 34.693 2.147 0.851 0.801 0.958 0.792 CA 1.429 25 residues pruned to eliminate duplicates Z: 26 32.449 2.133 0.815 0.764 0.920 0.720 CA 1.442 26 residues pruned to eliminate duplicates Z: 26 32.493 2.134 0.833 0.764 0.920 0.800 CA 1.428 26 residues pruned to eliminate duplicates Z: 76 41.032 2.042 0.649 0.616 0.920 0.667 CB 1.371 76 residues pruned to eliminate duplicates Z: 25 34.954 2.131 0.866 0.799 0.958 0.667 CA 1.441 25 residues pruned to eliminate duplicates Z: 38 33.299 2.026 0.768 0.708 0.946 0.595 CB 1.337 38 residues pruned to eliminate duplicates Z: 25 37.902 2.115 1.006 0.820 0.958 0.583 CA 1.441 25 residues pruned to eliminate duplicates Z: 25 38.737 2.114 1.065 0.810 0.958 0.583 CA 1.443 25 residues pruned to eliminate duplicates Z: 25 37.390 2.130 0.992 0.808 0.917 0.667 CA 1.501 25 residues pruned to eliminate duplicates Z: 39 29.450 2.011 0.668 0.669 0.947 0.632 CB 1.286 39 residues pruned to eliminate duplicates Z: 25 38.805 2.125 0.924 0.828 0.958 0.667 CA 1.522 25 residues pruned to eliminate duplicates Z: 25 37.603 2.117 0.980 0.812 0.958 0.542 CA 1.457 25 residues pruned to eliminate duplicates Z: 25 39.223 2.131 1.013 0.820 0.958 0.708 CA 1.475 25 residues pruned to eliminate duplicates Z: 25 36.073 2.122 0.980 0.773 0.917 0.583 CA 1.502 25 residues pruned to eliminate duplicates Z: 25 37.944 2.134 0.982 0.817 0.958 0.833 CA 1.451 25 residues pruned to eliminate duplicates Z: 25 42.544 2.135 1.111 0.825 0.958 0.542 CA 1.518 25 residues pruned to eliminate duplicates Z: 23 38.623 2.088 0.955 0.893 1.000 0.500 CA 1.448 23 residues pruned to eliminate duplicates Z: 36 33.653 2.091 0.679 0.747 0.971 0.714 CB 1.337 36 residues pruned to eliminate duplicates Z: 23 42.229 2.130 1.090 0.844 1.000 0.545 CA 1.505 23 residues pruned to eliminate duplicates Z: 39 30.800 2.063 0.759 0.708 0.947 0.605 CB 1.204 39 residues pruned to eliminate duplicates Z: 19 11.469 1.892 0.443 0.493 0.944 0.500 CB 1.056 19 residues pruned to eliminate duplicates Z: 17 7.198 1.787 0.414 0.418 0.812 0.375 CB 0.955 23 residues pruned to eliminate duplicates Z: 19 5.683 1.756 0.499 0.331 0.722 0.333 CB 0.848 19 residues pruned to eliminate duplicates Z: 11 6.319 1.911 0.304 0.456 0.800 0.500 CB 1.048 11 residues pruned to eliminate duplicates Z: 39 31.064 2.037 0.704 0.712 0.921 0.658 CB 1.301 39 residues pruned to eliminate duplicates Z: 78 41.006 2.046 0.675 0.620 0.909 0.597 CB 1.339 78 residues pruned to eliminate duplicates Z: 16 9.147 1.787 0.451 0.573 0.800 0.467 CB 1.061 16 residues pruned to eliminate duplicates Z: 14 9.492 1.885 0.520 0.520 0.769 0.615 CB 1.171 14 residues pruned to eliminate duplicates Z: 12 7.604 1.896 0.202 0.514 0.909 0.455 CB 1.092 12 residues pruned to eliminate duplicates Z: 9 4.781 1.724 0.562 0.489 0.875 0.625 CB 0.725 9 residues pruned to eliminate duplicates Z: 44 28.448 2.021 0.661 0.527 0.907 0.674 CB 1.387 44 residues pruned to eliminate duplicates Z: 8 4.821 1.661 0.492 0.421 0.857 0.571 CA 0.932 8 residues pruned to eliminate duplicates Z: 46 27.420 1.996 0.567 0.539 0.911 0.667 CA 1.381 46 residues pruned to eliminate duplicates Z: 75 42.127 2.013 0.755 0.594 0.946 0.608 CB 1.339 75 residues pruned to eliminate duplicates Z: 44 28.541 2.023 0.528 0.518 0.977 0.581 CB 1.416 44 residues pruned to eliminate duplicates Z: 37 28.765 1.982 0.682 0.597 0.889 0.639 CB 1.474 37 residues pruned to eliminate duplicates Z: 42 29.092 2.023 0.597 0.516 0.951 0.585 CB 1.455 42 residues pruned to eliminate duplicates Z: 52 27.406 2.002 0.519 0.525 0.961 0.549 CB 1.281 52 residues pruned to eliminate duplicates Z: 62 26.463 1.940 0.585 0.453 0.902 0.508 CB 1.282 62 residues pruned to eliminate duplicates Z: 41 34.070 2.023 0.829 0.547 0.925 0.600 CB 1.503 37 residues pruned to eliminate duplicates Z: 6 5.956 1.605 0.902 0.491 0.800 0.800 CB 1.101 6 residues pruned to eliminate duplicates Z: 45 26.387 2.016 0.517 0.483 0.932 0.568 CB 1.420 45 residues pruned to eliminate duplicates Z: 45 29.055 2.029 0.621 0.501 0.955 0.591 CB 1.394 45 residues pruned to eliminate duplicates Z: 40 27.355 1.992 0.636 0.511 0.923 0.641 CB 1.440 40 residues pruned to eliminate duplicates Z: 55 26.873 1.987 0.553 0.491 0.889 0.593 CB 1.344 55 residues pruned to eliminate duplicates Z: 54 23.092 1.936 0.580 0.438 0.906 0.491 CB 1.220 54 residues pruned to eliminate duplicates Z: 28 23.813 2.032 0.692 0.541 0.926 0.630 CB 1.383 28 residues pruned to eliminate duplicates Z: 73 37.274 2.013 0.675 0.562 0.917 0.486 CB 1.339 73 residues pruned to eliminate duplicates Z: 56 26.463 1.950 0.567 0.525 0.855 0.636 CB 1.333 56 residues pruned to eliminate duplicates Z: 37 27.856 1.976 0.669 0.544 0.917 0.611 CB 1.471 37 residues pruned to eliminate duplicates Z: 38 27.708 2.028 0.654 0.559 0.946 0.676 CB 1.356 38 residues pruned to eliminate duplicates Z: 38 26.636 2.036 0.648 0.507 0.946 0.595 CB 1.370 38 residues pruned to eliminate duplicates Z: 56 24.741 1.975 0.530 0.451 0.909 0.473 CB 1.277 56 residues pruned to eliminate duplicates Z: 37 31.254 2.058 0.717 0.569 0.944 0.667 CB 1.460 37 residues pruned to eliminate duplicates Z: 38 28.321 2.027 0.749 0.556 0.919 0.649 CB 1.353 38 residues pruned to eliminate duplicates Z: 39 27.350 1.979 0.764 0.533 0.921 0.658 CB 1.335 39 residues pruned to eliminate duplicates Z: 38 25.067 1.973 0.665 0.505 0.892 0.649 CB 1.400 38 residues pruned to eliminate duplicates Z: 77 44.184 2.034 0.784 0.587 0.961 0.632 CB 1.338 77 residues pruned to eliminate duplicates Z: 67 34.681 2.020 0.752 0.434 0.924 0.636 CB 1.397 75 residues pruned to eliminate duplicates Z: 14 20.216 1.877 0.803 0.852 0.923 0.385 CB 1.327 14 residues pruned to eliminate duplicates Z: 33 26.713 2.025 0.834 0.509 0.969 0.562 CB 1.301 33 residues pruned to eliminate duplicates Z: 38 30.210 2.023 0.810 0.536 0.946 0.649 CB 1.384 38 residues pruned to eliminate duplicates Z: 38 28.668 2.021 0.779 0.542 0.919 0.676 CB 1.369 38 residues pruned to eliminate duplicates Z: 44 28.611 2.014 0.733 0.535 0.907 0.605 CB 1.332 44 residues pruned to eliminate duplicates Z: 39 30.582 2.030 0.698 0.565 0.947 0.605 CB 1.427 39 residues pruned to eliminate duplicates Z: 44 31.122 2.028 0.788 0.537 0.907 0.674 CB 1.391 44 residues pruned to eliminate duplicates Z: 40 26.284 2.026 0.669 0.552 0.872 0.667 CB 1.357 40 residues pruned to eliminate duplicates Z: 40 27.418 2.009 0.665 0.509 0.897 0.538 CB 1.449 40 residues pruned to eliminate duplicates Z: 38 29.881 2.042 0.800 0.565 0.892 0.568 CB 1.408 38 residues pruned to eliminate duplicates Z: 39 33.429 2.044 0.799 0.575 0.947 0.789 CA 1.449 39 residues pruned to eliminate duplicates Z: 45 25.124 1.913 0.600 0.488 0.932 0.545 CB 1.344 45 residues pruned to eliminate duplicates Z: 39 30.955 2.045 0.735 0.538 0.947 0.684 CB 1.439 39 residues pruned to eliminate duplicates Z: 85 37.143 2.024 0.679 0.470 0.893 0.607 CB 1.377 85 residues pruned to eliminate duplicates Z: 45 30.323 2.019 0.847 0.469 0.818 0.455 CB 1.546 45 residues pruned to eliminate duplicates Z: 43 35.323 2.060 0.959 0.492 0.881 0.500 CB 1.545 43 residues pruned to eliminate duplicates Z: 41 39.063 2.098 0.855 0.529 0.950 0.550 CB 1.623 41 residues pruned to eliminate duplicates Z: 44 32.415 2.067 0.832 0.481 0.860 0.488 CB 1.546 43 residues pruned to eliminate duplicates Z: 8 12.910 1.712 1.159 0.723 0.857 0.714 CA 1.259 8 residues pruned to eliminate duplicates Z: 42 33.574 1.995 0.873 0.540 0.902 0.585 CB 1.495 42 residues pruned to eliminate duplicates Z: 42 33.509 2.093 0.794 0.510 0.927 0.585 CB 1.489 42 residues pruned to eliminate duplicates Z: 41 32.291 2.074 0.771 0.496 0.925 0.600 CB 1.509 41 residues pruned to eliminate duplicates Z: 74 30.537 1.950 0.717 0.412 0.890 0.507 CB 1.314 74 residues pruned to eliminate duplicates Z: 100 40.782 1.994 0.665 0.464 0.909 0.535 CB 1.409 100 residues pruned to eliminate duplicates Z: 40 34.699 2.054 0.807 0.543 0.923 0.615 CA 1.555 40 residues pruned to eliminate duplicates Z: 41 29.093 2.059 0.643 0.496 0.875 0.525 CB 1.561 41 residues pruned to eliminate duplicates Z: 97 44.826 2.025 0.797 0.503 0.885 0.562 CB 1.415 97 residues pruned to eliminate duplicates Z: 42 36.928 2.100 0.860 0.500 0.951 0.585 CB 1.552 42 residues pruned to eliminate duplicates Z: 41 37.158 2.075 0.821 0.503 0.950 0.625 CA 1.631 41 residues pruned to eliminate duplicates Z: 86 45.638 2.033 0.848 0.480 0.894 0.541 CB 1.504 86 residues pruned to eliminate duplicates Z: 44 34.729 2.077 0.886 0.474 0.930 0.465 CB 1.492 44 residues pruned to eliminate duplicates Z: 42 34.299 2.078 0.701 0.504 0.951 0.537 CB 1.587 42 residues pruned to eliminate duplicates Z: 45 32.142 2.041 0.902 0.453 0.909 0.477 CB 1.440 45 residues pruned to eliminate duplicates Z: 32 33.594 2.123 0.826 0.521 0.935 0.613 CB 1.630 32 residues pruned to eliminate duplicates Z: 39 38.487 2.102 0.742 0.534 1.000 0.579 CA 1.650 39 residues pruned to eliminate duplicates Z: 42 34.250 2.036 0.881 0.505 0.927 0.561 CB 1.499 42 residues pruned to eliminate duplicates Z: 42 34.657 2.093 0.888 0.486 0.878 0.610 CB 1.582 42 residues pruned to eliminate duplicates Z: 13 20.588 1.989 0.938 0.842 0.833 0.833 CB 1.379 13 residues pruned to eliminate duplicates Z: 42 34.576 2.090 0.901 0.478 0.902 0.561 CB 1.541 42 residues pruned to eliminate duplicates Z: 42 37.191 2.114 0.870 0.499 0.927 0.561 CB 1.586 42 residues pruned to eliminate duplicates Z: 89 43.709 2.041 0.815 0.498 0.898 0.545 CB 1.404 89 residues pruned to eliminate duplicates Z: 44 34.342 2.077 0.834 0.453 0.907 0.558 CB 1.590 44 residues pruned to eliminate duplicates Z: 44 38.431 2.076 1.006 0.465 0.930 0.535 CB 1.568 44 residues pruned to eliminate duplicates Z: 40 35.128 2.075 0.843 0.534 0.923 0.513 CB 1.542 40 residues pruned to eliminate duplicates Z: 42 36.212 2.074 0.811 0.484 0.976 0.537 CB 1.568 42 residues pruned to eliminate duplicates Z: 28 37.032 2.176 0.877 0.561 1.000 0.630 CB 1.644 28 residues pruned to eliminate duplicates Z: 39 34.006 2.086 0.868 0.491 0.947 0.605 CB 1.508 39 residues pruned to eliminate duplicates Z: 40 37.135 2.097 0.901 0.521 0.974 0.385 CB 1.500 40 residues pruned to eliminate duplicates Z: 42 36.648 2.118 0.956 0.489 0.878 0.537 CB 1.591 42 residues pruned to eliminate duplicates Z: 44 34.903 2.030 0.953 0.469 0.907 0.419 CB 1.527 44 residues pruned to eliminate duplicates Z: 43 33.617 2.068 0.813 0.486 0.905 0.595 CB 1.551 43 residues pruned to eliminate duplicates Z: 45 33.623 2.052 1.028 0.449 0.864 0.432 CB 1.485 45 residues pruned to eliminate duplicates Z: 81 48.157 2.075 0.803 0.492 0.950 0.575 CB 1.528 80 residues pruned to eliminate duplicates Z: 13 13.130 1.880 0.443 0.783 0.917 0.583 CA 1.188 13 residues pruned to eliminate duplicates Z: 22 16.883 1.948 0.623 0.473 1.000 0.810 CB 1.197 22 residues pruned to eliminate duplicates Z: 18 15.475 1.866 0.434 0.694 1.000 0.824 CA 1.175 18 residues pruned to eliminate duplicates Z: 29 19.763 1.915 0.622 0.442 0.964 0.714 CA 1.323 29 residues pruned to eliminate duplicates Z: 23 16.039 1.943 0.377 0.507 1.000 0.773 CB 1.270 35 residues pruned to eliminate duplicates Z: 26 9.437 1.772 0.275 0.362 0.880 0.560 CB 1.101 26 residues pruned to eliminate duplicates Z: 30 17.502 1.878 0.597 0.409 0.931 0.621 CB 1.280 30 residues pruned to eliminate duplicates Z: 22 14.755 1.942 0.419 0.466 0.905 0.571 CB 1.337 22 residues pruned to eliminate duplicates Z: 24 17.327 1.883 0.652 0.483 0.870 0.696 CB 1.358 24 residues pruned to eliminate duplicates Z: 26 16.641 1.869 0.566 0.475 0.920 0.640 CB 1.267 26 residues pruned to eliminate duplicates Z: 24 19.824 1.969 0.707 0.556 0.957 0.696 CB 1.217 24 residues pruned to eliminate duplicates Z: 9 9.615 1.922 0.801 0.439 0.750 0.750 CA 1.394 9 residues pruned to eliminate duplicates Z: 18 14.456 1.930 0.560 0.461 0.941 0.706 CB 1.287 18 residues pruned to eliminate duplicates Z: 13 12.292 1.640 0.387 0.791 1.000 0.417 CB 1.208 Z: 12 11.982 1.603 0.493 0.798 1.000 0.727 CA 1.163 12 residues pruned to eliminate duplicates Z: 12 12.662 1.655 0.686 0.832 0.909 0.636 CA 1.130 12 residues pruned to eliminate duplicates Z: 11 14.670 1.653 0.624 0.883 1.000 0.600 CA 1.250 11 residues pruned to eliminate duplicates Z: 11 14.648 1.651 0.615 0.887 1.000 0.500 CB 1.252 11 residues pruned to eliminate duplicates Z: 13 12.990 1.612 0.603 0.732 0.917 0.417 CB 1.285 13 residues pruned to eliminate duplicates Z: 16 9.095 1.574 0.255 0.659 0.933 0.667 CA 1.098 16 residues pruned to eliminate duplicates Z: 14 9.063 1.562 0.460 0.614 0.923 0.615 CB 1.071 14 residues pruned to eliminate duplicates Z: 15 10.350 1.621 0.604 0.668 0.786 0.500 CB 1.159 15 residues pruned to eliminate duplicates Z: 14 11.496 1.638 0.561 0.730 0.846 0.769 CA 1.198 14 residues pruned to eliminate duplicates Z: 7 9.878 1.733 0.900 0.562 1.000 0.667 CB 1.153 7 residues pruned to eliminate duplicates Z: 7 8.963 1.723 0.959 0.478 1.000 0.833 CA 1.109 7 residues pruned to eliminate duplicates Z: 8 5.457 1.612 0.554 0.455 1.000 0.714 CB 0.862 8 residues pruned to eliminate duplicates Z: 7 3.828 1.595 0.254 0.400 0.833 0.667 CB 1.042 7 residues pruned to eliminate duplicates Z: 6 5.886 1.804 0.430 0.299 1.000 1.000 CB 1.277 6 residues pruned to eliminate duplicates Z: 43 21.925 1.907 0.628 0.493 0.929 0.595 CB 1.182 40 residues pruned to eliminate duplicates Z: 6 5.278 1.661 0.791 0.254 1.000 0.400 CA 1.052 6 residues pruned to eliminate duplicates Z: 15 10.724 1.902 0.624 0.476 0.786 0.571 CA 1.210 15 residues pruned to eliminate duplicates Z: 37 22.593 1.992 0.746 0.537 0.861 0.611 CB 1.212 40 residues pruned to eliminate duplicates Z: 8 7.601 1.410 1.222 0.452 0.857 0.286 N 1.124 8 residues pruned to eliminate duplicates Z: 22 10.514 1.905 0.485 0.338 0.857 0.333 CB 1.128 22 residues pruned to eliminate duplicates Z: 26 20.748 2.036 0.697 0.534 0.920 0.600 CB 1.262 26 residues pruned to eliminate duplicates Z: 39 21.949 1.898 0.741 0.473 0.895 0.579 CB 1.237 39 residues pruned to eliminate duplicates Z: 51 23.598 1.898 0.642 0.521 0.920 0.640 CB 1.140 59 residues pruned to eliminate duplicates Z: 13 15.474 2.090 0.430 0.835 1.000 0.833 CB 1.119 13 residues pruned to eliminate duplicates Z: 38 19.238 1.963 0.497 0.518 0.865 0.568 CB 1.223 38 residues pruned to eliminate duplicates Z: 18 15.287 2.010 0.544 0.590 0.882 0.706 CB 1.242 18 residues pruned to eliminate duplicates Z: 27 17.192 1.962 0.640 0.554 0.923 0.538 CB 1.077 27 residues pruned to eliminate duplicates Z: 29 16.335 2.014 0.459 0.532 0.893 0.536 CB 1.141 29 residues pruned to eliminate duplicates Z: 39 25.008 1.979 0.702 0.525 0.947 0.579 CB 1.240 39 residues pruned to eliminate duplicates Z: 29 19.456 1.991 0.721 0.555 0.929 0.536 CB 1.095 29 residues pruned to eliminate duplicates Z: 14 14.008 1.959 0.794 0.756 0.923 0.769 CB 0.953 14 residues pruned to eliminate duplicates Z: 28 18.806 1.960 0.647 0.585 0.963 0.593 CB 1.073 28 residues pruned to eliminate duplicates Z: 38 21.855 1.978 0.652 0.500 0.892 0.514 CB 1.233 38 residues pruned to eliminate duplicates Z: 38 26.700 2.006 0.785 0.542 0.946 0.514 CB 1.243 38 residues pruned to eliminate duplicates Z: 39 21.497 1.995 0.606 0.486 0.895 0.684 CB 1.233 39 residues pruned to eliminate duplicates Z: 16 10.770 1.822 0.645 0.408 0.867 0.400 CB 1.179 16 residues pruned to eliminate duplicates Z: 13 10.690 1.915 0.475 0.516 0.833 0.583 CB 1.290 13 residues pruned to eliminate duplicates Z: 12 12.193 1.949 0.663 0.497 0.909 0.545 CA 1.252 12 residues pruned to eliminate duplicates Z: 70 35.162 1.926 0.628 0.605 0.928 0.681 CB 1.317 70 residues pruned to eliminate duplicates Z: 17 10.217 1.829 0.731 0.353 0.750 0.375 CB 1.261 17 residues pruned to eliminate duplicates Z: 13 11.259 1.901 0.656 0.498 0.833 0.500 CA 1.241 13 residues pruned to eliminate duplicates Z: 13 10.743 1.943 0.645 0.465 0.833 0.500 CB 1.206 13 residues pruned to eliminate duplicates Z: 26 18.260 1.920 0.791 0.475 0.800 0.520 CA 1.362 26 residues pruned to eliminate duplicates Z: 27 15.934 1.899 0.487 0.457 0.885 0.615 CA 1.308 27 residues pruned to eliminate duplicates Z: 22 15.732 1.778 0.560 0.509 0.857 0.619 CB 1.432 22 residues pruned to eliminate duplicates Z: 11 12.045 1.976 0.450 0.481 1.000 0.700 CA 1.355 11 residues pruned to eliminate duplicates Z: 38 21.092 1.853 0.681 0.541 0.919 0.649 CB 1.164 38 residues pruned to eliminate duplicates Z: 23 14.759 1.836 0.445 0.485 0.909 0.545 CA 1.325 23 residues pruned to eliminate duplicates Z: 11 9.011 1.751 0.315 0.611 0.900 0.600 CB 1.238 11 residues pruned to eliminate duplicates Z: 10 11.132 1.855 0.328 0.784 0.889 0.667 CB 1.320 10 residues pruned to eliminate duplicates Z: 15 13.302 1.712 0.566 0.687 0.929 0.643 CB 1.203 15 residues pruned to eliminate duplicates Z: 14 10.013 1.764 0.302 0.645 0.846 0.692 CA 1.247 14 residues pruned to eliminate duplicates Z: 43 27.892 1.971 0.513 0.694 0.905 0.738 CB 1.336 43 residues pruned to eliminate duplicates Z: 10 12.316 1.889 0.607 0.741 1.000 0.889 CB 1.090 10 residues pruned to eliminate duplicates Z: 11 9.472 1.838 0.466 0.678 0.900 0.700 CB 1.048 11 residues pruned to eliminate duplicates Z: 13 7.616 1.722 0.064 0.642 0.917 0.583 CB 1.146 13 residues pruned to eliminate duplicates Z: 42 26.142 1.991 0.374 0.713 0.951 0.780 CB 1.293 42 residues pruned to eliminate duplicates Z: 30 15.964 1.842 0.548 0.549 0.897 0.552 CB 1.105 30 residues pruned to eliminate duplicates Z: 20 15.960 1.811 0.758 0.413 0.947 0.632 CA 1.329 20 residues pruned to eliminate duplicates Z: 44 30.950 1.985 0.529 0.721 0.953 0.674 CB 1.335 44 residues pruned to eliminate duplicates Z: 45 28.683 1.970 0.519 0.700 0.909 0.773 CB 1.325 45 residues pruned to eliminate duplicates Z: 53 22.015 1.823 0.408 0.616 0.885 0.635 CB 1.205 53 residues pruned to eliminate duplicates Z: 46 28.142 1.953 0.520 0.674 0.933 0.689 CB 1.290 46 residues pruned to eliminate duplicates Z: 45 30.647 1.958 0.525 0.727 0.955 0.727 CB 1.322 45 residues pruned to eliminate duplicates Z: 49 20.762 1.862 0.313 0.592 0.896 0.625 CB 1.252 49 residues pruned to eliminate duplicates Z: 26 16.819 1.911 0.489 0.579 0.960 0.640 CB 1.141 26 residues pruned to eliminate duplicates Z: 26 21.677 2.044 0.242 0.786 0.960 0.840 CA 1.383 26 residues pruned to eliminate duplicates Z: 15 12.658 1.960 0.495 0.531 0.929 0.643 CB 1.205 15 residues pruned to eliminate duplicates Z: 40 25.208 1.921 0.567 0.648 0.923 0.564 CB 1.265 40 residues pruned to eliminate duplicates Z: 43 25.112 1.979 0.362 0.690 0.929 0.738 CB 1.301 43 residues pruned to eliminate duplicates Z: 45 31.246 1.978 0.558 0.704 0.955 0.636 CB 1.330 45 residues pruned to eliminate duplicates Z: 29 28.378 2.009 0.712 0.720 0.929 0.786 CB 1.376 29 residues pruned to eliminate duplicates Z: 45 28.192 1.954 0.748 0.680 0.864 0.568 CB 1.221 45 residues pruned to eliminate duplicates Z: 45 30.244 1.953 0.639 0.682 0.909 0.727 CA 1.325 45 residues pruned to eliminate duplicates Z: 26 35.190 2.080 0.847 0.808 0.960 0.760 CA 1.459 26 residues pruned to eliminate duplicates Z: 45 35.121 1.986 0.840 0.687 0.909 0.614 CB 1.343 45 residues pruned to eliminate duplicates Z: 46 30.774 1.948 0.710 0.675 0.933 0.711 CB 1.256 46 residues pruned to eliminate duplicates Z: 29 28.861 2.049 0.658 0.716 0.929 0.714 CB 1.422 29 residues pruned to eliminate duplicates Z: 27 32.998 2.062 0.835 0.767 0.962 0.692 CB 1.404 27 residues pruned to eliminate duplicates Z: 27 30.799 2.081 0.731 0.757 0.962 0.769 CA 1.387 27 residues pruned to eliminate duplicates Z: 33 28.215 1.993 0.667 0.655 0.906 0.719 CA 1.435 33 residues pruned to eliminate duplicates Z: 33 24.845 1.973 0.537 0.644 0.906 0.719 CB 1.397 33 residues pruned to eliminate duplicates Z: 43 29.532 1.991 0.638 0.709 0.905 0.643 CB 1.276 43 residues pruned to eliminate duplicates Z: 46 31.062 1.912 0.653 0.690 0.933 0.667 CB 1.320 46 residues pruned to eliminate duplicates Z: 44 32.697 1.952 0.734 0.742 0.930 0.767 CB 1.276 44 residues pruned to eliminate duplicates Z: 38 29.627 1.977 0.724 0.656 0.973 0.676 CB 1.271 38 residues pruned to eliminate duplicates Z: 43 26.991 1.997 0.584 0.627 0.929 0.643 CB 1.258 43 residues pruned to eliminate duplicates Z: 62 30.319 1.884 0.697 0.624 0.918 0.607 CB 1.177 62 residues pruned to eliminate duplicates Z: 98 42.688 1.978 0.598 0.612 0.948 0.639 CB 1.301 98 residues pruned to eliminate duplicates Z: 79 42.052 2.023 0.661 0.625 0.936 0.641 CB 1.346 79 residues pruned to eliminate duplicates Z: 47 27.435 1.928 0.549 0.599 0.978 0.652 CB 1.260 47 residues pruned to eliminate duplicates Z: 98 43.598 1.980 0.638 0.608 0.959 0.608 CB 1.284 98 residues pruned to eliminate duplicates Z: 62 29.038 1.898 0.664 0.591 0.934 0.590 CB 1.154 62 residues pruned to eliminate duplicates Z: 62 30.196 1.917 0.683 0.597 0.902 0.607 CB 1.211 62 residues pruned to eliminate duplicates Z: 40 25.560 1.990 0.656 0.624 0.897 0.615 CB 1.231 40 residues pruned to eliminate duplicates Z: 96 42.259 1.987 0.621 0.610 0.947 0.621 CB 1.279 96 residues pruned to eliminate duplicates Z: 12 6.800 1.800 0.442 0.403 0.909 0.182 CA 0.962 12 residues pruned to eliminate duplicates Z: 79 39.827 2.015 0.595 0.610 0.936 0.692 CB 1.350 79 residues pruned to eliminate duplicates Z: 53 34.419 2.012 0.647 0.579 0.981 0.769 CA 1.361 53 residues pruned to eliminate duplicates Z: 46 32.499 2.012 0.651 0.587 0.978 0.756 CB 1.373 46 residues pruned to eliminate duplicates Z: 24 18.152 1.863 0.751 0.436 0.957 0.609 CB 1.296 24 residues pruned to eliminate duplicates Z: 45 31.313 2.036 0.612 0.592 0.932 0.682 CA 1.414 45 residues pruned to eliminate duplicates Z: 51 26.226 1.987 0.694 0.489 0.860 0.560 CB 1.296 51 residues pruned to eliminate duplicates Z: 16 12.598 1.808 0.748 0.551 0.867 0.667 CB 1.130 16 residues pruned to eliminate duplicates Z: 28 18.072 1.912 0.566 0.443 0.889 0.556 CB 1.386 28 residues pruned to eliminate duplicates Z: 38 32.098 2.075 0.607 0.615 0.973 0.676 CB 1.459 38 residues pruned to eliminate duplicates Z: 39 29.599 2.046 0.699 0.579 0.921 0.711 CB 1.390 39 residues pruned to eliminate duplicates Z: 46 29.010 2.016 0.526 0.567 0.956 0.711 CB 1.379 46 residues pruned to eliminate duplicates Z: 41 29.794 2.022 0.599 0.568 0.925 0.675 CB 1.475 41 residues pruned to eliminate duplicates Z: 47 30.006 2.010 0.608 0.572 0.935 0.674 CA 1.366 47 residues pruned to eliminate duplicates Z: 98 42.460 1.990 0.612 0.608 0.938 0.619 CB 1.293 98 residues pruned to eliminate duplicates Z: 39 32.807 2.060 0.666 0.585 0.974 0.711 CB 1.468 39 residues pruned to eliminate duplicates Z: 45 32.285 2.016 0.664 0.577 0.955 0.682 CB 1.411 45 residues pruned to eliminate duplicates Z: 46 29.729 1.984 0.610 0.570 0.956 0.689 CB 1.357 46 residues pruned to eliminate duplicates Z: 43 32.797 2.063 0.682 0.601 0.929 0.738 CB 1.426 43 residues pruned to eliminate duplicates Z: 44 25.765 1.997 0.677 0.499 0.907 0.558 CB 1.295 44 residues pruned to eliminate duplicates Z: 99 42.468 1.981 0.655 0.583 0.959 0.582 CB 1.260 99 residues pruned to eliminate duplicates Z: 45 30.079 2.015 0.673 0.573 0.909 0.705 CB 1.380 45 residues pruned to eliminate duplicates Z: 40 33.953 2.072 0.718 0.597 0.949 0.744 CB 1.468 40 residues pruned to eliminate duplicates Z: 43 27.582 2.036 0.565 0.554 0.952 0.643 CB 1.331 43 residues pruned to eliminate duplicates Z: 45 23.450 2.021 0.429 0.540 0.864 0.545 CB 1.363 45 residues pruned to eliminate duplicates Z: 37 31.004 2.074 0.725 0.590 0.917 0.722 CB 1.445 37 residues pruned to eliminate duplicates Z: 38 34.549 2.083 0.727 0.623 0.973 0.784 CB 1.445 38 residues pruned to eliminate duplicates Z: 52 33.692 2.031 0.770 0.558 0.922 0.725 CB 1.345 52 residues pruned to eliminate duplicates Z: 39 30.456 2.074 0.651 0.596 0.921 0.684 CB 1.429 39 residues pruned to eliminate duplicates Z: 95 42.130 2.002 0.642 0.603 0.947 0.596 CB 1.266 95 residues pruned to eliminate duplicates Z: 46 33.478 2.034 0.773 0.597 0.933 0.644 CB 1.352 46 residues pruned to eliminate duplicates Z: 44 32.893 2.059 0.717 0.563 0.953 0.674 CB 1.400 44 residues pruned to eliminate duplicates Z: 41 32.951 2.082 0.752 0.570 0.950 0.700 CB 1.405 41 residues pruned to eliminate duplicates Z: 43 32.170 2.062 0.679 0.609 0.929 0.762 CB 1.392 43 residues pruned to eliminate duplicates Z: 44 34.261 2.043 0.862 0.568 0.953 0.628 CB 1.348 44 residues pruned to eliminate duplicates Z: 46 30.851 2.031 0.668 0.578 0.933 0.667 CB 1.348 46 residues pruned to eliminate duplicates Z: 47 30.027 2.044 0.708 0.552 0.913 0.500 CB 1.321 47 residues pruned to eliminate duplicates Z: 46 33.832 2.041 0.819 0.572 0.933 0.644 CA 1.358 46 residues pruned to eliminate duplicates Z: 54 29.025 1.988 0.672 0.524 0.925 0.547 CB 1.267 54 residues pruned to eliminate duplicates Z: 54 27.365 1.967 0.682 0.498 0.887 0.528 CB 1.284 54 residues pruned to eliminate duplicates Z: 39 34.742 2.068 0.857 0.603 0.921 0.632 CB 1.445 39 residues pruned to eliminate duplicates Z: 48 29.234 2.024 0.640 0.570 0.915 0.617 CB 1.313 48 residues pruned to eliminate duplicates Z: 31 28.522 2.044 0.703 0.592 0.933 0.600 CB 1.467 31 residues pruned to eliminate duplicates Z: 46 29.904 2.033 0.622 0.560 0.911 0.644 CB 1.400 46 residues pruned to eliminate duplicates Z: 30 15.027 1.887 0.485 0.441 0.897 0.552 CB 1.181 30 residues pruned to eliminate duplicates Z: 39 18.282 1.894 0.418 0.439 0.947 0.579 CB 1.241 39 residues pruned to eliminate duplicates Z: 10 7.971 1.682 0.350 0.488 0.889 0.667 CA 1.331 10 residues pruned to eliminate duplicates Z: 39 19.057 1.904 0.502 0.422 0.921 0.553 CB 1.273 39 residues pruned to eliminate duplicates Z: 40 18.298 1.887 0.512 0.432 0.949 0.641 CB 1.161 40 residues pruned to eliminate duplicates Z: 40 18.570 1.878 0.535 0.443 0.897 0.718 CB 1.219 40 residues pruned to eliminate duplicates Z: 41 18.979 1.886 0.502 0.423 0.900 0.575 CB 1.275 41 residues pruned to eliminate duplicates Z: 35 17.623 1.909 0.580 0.441 0.912 0.529 CB 1.169 35 residues pruned to eliminate duplicates Z: 40 20.781 1.882 0.665 0.444 0.923 0.564 CB 1.219 40 residues pruned to eliminate duplicates Z: 38 19.182 1.900 0.601 0.452 0.892 0.541 CB 1.222 38 residues pruned to eliminate duplicates Z: 40 19.915 1.894 0.606 0.446 0.923 0.564 CB 1.200 46 residues pruned to eliminate duplicates Z: 12 8.690 1.614 0.544 0.414 0.909 0.364 CA 1.264 12 residues pruned to eliminate duplicates Z: 38 18.947 1.922 0.453 0.465 0.892 0.676 CB 1.295 38 residues pruned to eliminate duplicates Z: 38 18.478 1.910 0.496 0.431 0.892 0.622 CB 1.281 38 residues pruned to eliminate duplicates Z: 36 20.427 1.972 0.650 0.443 0.886 0.657 CB 1.270 41 residues pruned to eliminate duplicates Z: 6 6.843 1.685 0.758 0.426 1.000 0.800 CA 1.115 6 residues pruned to eliminate duplicates Z: 39 17.184 1.900 0.433 0.411 0.921 0.447 CB 1.221 39 residues pruned to eliminate duplicates Z: 40 20.863 1.858 0.557 0.475 0.897 0.641 CB 1.320 40 residues pruned to eliminate duplicates Z: 30 15.555 1.884 0.533 0.401 0.862 0.586 CB 1.288 30 residues pruned to eliminate duplicates Z: 28 15.905 1.916 0.689 0.392 0.889 0.630 CB 1.192 28 residues pruned to eliminate duplicates Z: 35 19.364 1.944 0.547 0.434 0.971 0.676 CB 1.218 34 residues pruned to eliminate duplicates Z: 12 11.197 1.642 0.569 0.699 1.000 0.818 CB 1.093 12 residues pruned to eliminate duplicates Z: 37 17.936 1.936 0.490 0.420 0.917 0.639 CB 1.228 37 residues pruned to eliminate duplicates Z: 17 13.817 1.912 0.565 0.575 0.938 0.750 CB 1.145 17 residues pruned to eliminate duplicates Z: 8 6.727 1.705 0.290 0.875 1.000 0.857 CB 0.841 8 residues pruned to eliminate duplicates Z: 35 19.586 1.949 0.524 0.440 0.912 0.676 CB 1.320 35 residues pruned to eliminate duplicates Z: 35 18.535 1.932 0.573 0.439 0.912 0.588 CB 1.222 35 residues pruned to eliminate duplicates Z: 38 19.538 1.924 0.502 0.436 0.946 0.649 CB 1.256 38 residues pruned to eliminate duplicates Z: 35 19.001 1.948 0.529 0.425 0.941 0.529 CB 1.257 35 residues pruned to eliminate duplicates Z: 37 21.129 1.958 0.478 0.468 0.972 0.750 CB 1.293 37 residues pruned to eliminate duplicates Z: 39 15.934 1.890 0.482 0.406 0.842 0.632 CB 1.210 39 residues pruned to eliminate duplicates Z: 39 18.815 1.881 0.564 0.442 0.895 0.605 CB 1.231 39 residues pruned to eliminate duplicates Z: 6 4.335 1.747 0.464 0.468 0.800 0.600 CB 0.979 6 residues pruned to eliminate duplicates Z: 15 9.977 1.792 0.427 0.421 0.857 0.571 CB 1.321 16 residues pruned to eliminate duplicates Z: 9 5.722 1.371 0.861 0.619 0.875 0.375 CB 0.810 9 residues pruned to eliminate duplicates Z: 16 9.217 1.741 0.554 0.431 0.867 0.467 CB 1.091 15 residues pruned to eliminate duplicates Z: 7 5.881 1.535 0.662 0.516 0.833 0.500 N 1.111 7 residues pruned to eliminate duplicates Z: 17 7.064 1.845 0.512 0.366 0.812 0.500 CB 0.900 17 residues pruned to eliminate duplicates Z: 17 10.504 1.816 0.616 0.442 0.750 0.375 CB 1.266 17 residues pruned to eliminate duplicates Z: 18 8.318 1.791 0.458 0.334 0.882 0.412 CB 1.050 18 residues pruned to eliminate duplicates Z: 33 16.791 1.816 0.649 0.496 0.875 0.562 CB 1.137 33 residues pruned to eliminate duplicates Z: 48 18.464 1.812 0.615 0.434 0.872 0.511 CB 1.130 48 residues pruned to eliminate duplicates Z: 18 9.354 1.792 0.575 0.335 0.882 0.353 CA 1.090 18 residues pruned to eliminate duplicates Z: 16 16.570 1.872 0.688 0.714 0.933 0.667 CB 1.195 16 residues pruned to eliminate duplicates Z: 17 16.073 1.824 0.669 0.740 0.938 0.625 CB 1.136 17 residues pruned to eliminate duplicates Z: 12 13.822 1.938 0.454 0.825 1.000 0.909 CB 1.116 12 residues pruned to eliminate duplicates Z: 23 16.678 1.794 0.613 0.574 0.909 0.682 CB 1.258 60 residues pruned to eliminate duplicates Z: 29 16.753 1.784 0.567 0.568 0.929 0.643 CB 1.142 Z: 12 23.301 1.842 0.933 0.927 1.000 1.000 CB 1.383 12 residues pruned to eliminate duplicates Z: 13 15.479 1.819 1.096 0.861 0.917 0.833 CB 0.939 19 residues pruned to eliminate duplicates Z: 12 24.477 1.851 1.035 0.916 1.000 0.818 CB 1.383 13 residues pruned to eliminate duplicates Z: 11 22.616 1.871 1.092 0.939 1.000 0.900 CB 1.270 11 residues pruned to eliminate duplicates Z: 24 19.766 1.882 0.715 0.637 0.913 0.522 CB 1.229 23 residues pruned to eliminate duplicates Z: 12 24.703 1.868 1.065 0.923 1.000 0.909 CB 1.357 12 residues pruned to eliminate duplicates Z: 13 20.760 1.829 1.006 0.918 1.000 0.833 CB 1.152 13 residues pruned to eliminate duplicates Z: 22 16.607 1.793 0.905 0.495 0.857 0.571 CB 1.243 22 residues pruned to eliminate duplicates Z: 28 17.059 1.793 0.717 0.546 0.926 0.556 CB 1.101 51 residues pruned to eliminate duplicates Z: 18 13.492 1.868 0.671 0.664 0.941 0.647 CB 0.957 Z: 12 12.323 1.886 0.672 0.368 1.000 0.545 CA 1.358 4 residues pruned to eliminate duplicates Z: 12 9.262 1.645 0.602 0.705 0.818 0.455 CB 1.075 Z: 12 10.749 1.581 0.652 0.827 0.818 0.636 CB 1.142 11 residues pruned to eliminate duplicates Z: 10 7.906 1.639 0.430 0.673 0.778 0.444 CB 1.233 10 residues pruned to eliminate duplicates Z: 39 19.615 1.790 0.519 0.579 0.974 0.500 CB 1.114 39 residues pruned to eliminate duplicates Z: 12 13.908 1.628 0.542 0.802 1.000 0.727 CB 1.284 12 residues pruned to eliminate duplicates Z: 14 10.611 1.453 0.642 0.730 0.923 0.308 N 1.087 14 residues pruned to eliminate duplicates Z: 16 10.152 1.629 0.358 0.615 0.867 0.400 CA 1.227 16 residues pruned to eliminate duplicates Z: 24 10.305 1.562 0.283 0.560 0.913 0.478 CB 1.107 19 residues pruned to eliminate duplicates Z: 13 13.969 1.600 0.538 0.858 1.000 0.500 CB 1.207 13 residues pruned to eliminate duplicates Z: 17 15.251 1.721 0.431 0.740 1.000 0.562 CB 1.249 17 residues pruned to eliminate duplicates Z: 15 8.416 1.660 0.384 0.657 0.786 0.714 CB 1.077 15 residues pruned to eliminate duplicates 1236 residues left after pruning, divided into chains as follows: A: 6 B: 10 C: 29 D: 36 E: 41 F: 37 G: 126 H: 158 I: 55 J: 23 K: 39 L: 119 M: 58 N: 23 O: 33 P: 121 Q: 13 R: 137 S: 36 T: 93 U: 43 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 39.82 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.506, Connect. = 0.748 for dens.mod. cycle 1 = 0.300, Contrast = 0.592, Connect. = 0.772 for dens.mod. cycle 2 = 0.300, Contrast = 0.720, Connect. = 0.794 for dens.mod. cycle 3 = 0.300, Contrast = 0.743, Connect. = 0.796 for dens.mod. cycle 4 = 0.300, Contrast = 0.761, Connect. = 0.797 for dens.mod. cycle 5 = 0.300, Contrast = 0.768, Connect. = 0.799 for dens.mod. cycle 6 = 0.300, Contrast = 0.774, Connect. = 0.800 for dens.mod. cycle 7 = 0.300, Contrast = 0.777, Connect. = 0.801 for dens.mod. cycle 8 = 0.300, Contrast = 0.780, Connect. = 0.801 for dens.mod. cycle 9 = 0.300, Contrast = 0.780, Connect. = 0.802 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6129 peaks > 0.5 sigma used to seed fragment search Space for about 2008 unique residues taking solvent into account 1411 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 29.670 2.020 1.048 0.827 1.000 0.615 CB 1.499 B: 14 22.152 2.036 0.645 0.854 0.923 0.846 CA 1.468 14 residues pruned to eliminate duplicates C: 14 28.075 2.018 1.008 0.852 1.000 0.846 CA 1.422 D: 14 27.626 2.018 1.046 0.861 1.000 0.615 CA 1.364 14 residues pruned to eliminate duplicates E: 20 17.665 2.037 0.712 0.466 0.895 0.474 CB 1.344 F: 12 18.752 2.013 0.680 0.866 0.909 0.545 CB 1.347 G: 12 21.473 2.109 0.551 0.863 1.000 0.909 CA 1.452 H: 13 29.079 2.159 1.259 0.851 1.000 0.917 CA 1.274 I: 12 29.754 2.123 1.058 0.863 1.000 0.727 CA 1.507 12 residues pruned to eliminate duplicates J: 7 4.996 1.420 0.210 0.754 1.000 0.833 CA 0.947 K: 11 19.834 2.053 0.853 0.902 1.000 0.800 CB 1.176 L: 6 13.872 2.059 0.434 0.737 1.000 0.600 CA 1.698 M: 23 29.654 2.053 0.708 0.883 0.955 0.818 CA 1.365 N: 13 20.726 1.967 0.540 0.845 1.000 0.833 CA 1.468 O: 13 22.844 2.040 0.934 0.843 0.917 0.833 CA 1.357 13 residues pruned to eliminate duplicates P: 14 25.663 1.973 1.038 0.844 0.923 0.615 CA 1.426 14 residues pruned to eliminate duplicates Q: 14 19.554 1.877 0.677 0.802 0.923 0.846 CB 1.434 13 residues pruned to eliminate duplicates R: 11 20.789 1.923 0.851 0.909 1.000 0.800 CB 1.311 S: 51 18.645 1.881 0.498 0.410 0.880 0.400 CB 1.169 T: 12 23.930 2.145 0.645 0.864 1.000 1.000 CA 1.499 12 residues pruned to eliminate duplicates U: 13 17.657 1.893 0.944 0.830 0.833 0.667 CB 1.250 13 residues pruned to eliminate duplicates V: 10 11.828 1.792 0.327 0.921 1.000 1.000 CB 1.167 W: 14 19.297 1.791 0.797 0.816 1.000 0.538 CB 1.263 13 residues pruned to eliminate duplicates X: 12 22.194 2.153 0.436 0.890 1.000 1.000 CA 1.557 12 residues pruned to eliminate duplicates Y: 24 27.104 1.927 0.618 0.879 1.000 0.696 CA 1.314 Z: 14 25.884 2.018 0.919 0.851 1.000 0.769 CA 1.372 14 residues pruned to eliminate duplicates Z: 41 36.767 2.109 1.048 0.546 0.925 0.475 CB 1.392 13 residues pruned to eliminate duplicates Z: 6 5.780 1.592 0.259 0.709 1.000 0.400 CA 1.067 7 residues pruned to eliminate duplicates Z: 13 14.466 1.862 0.522 0.812 1.000 0.667 CA 1.123 13 residues pruned to eliminate duplicates Z: 12 19.548 1.899 0.758 0.929 1.000 0.909 CB 1.236 Z: 13 19.225 2.004 0.678 0.852 0.917 0.917 CB 1.333 Z: 28 35.272 2.074 1.112 0.570 0.963 0.630 CB 1.503 13 residues pruned to eliminate duplicates Z: 13 25.163 1.997 1.085 0.893 0.917 0.917 CA 1.366 13 residues pruned to eliminate duplicates Z: 12 25.526 2.092 0.827 0.892 1.000 0.818 CA 1.447 13 residues pruned to eliminate duplicates Z: 14 17.376 1.958 0.273 0.866 1.000 0.769 CA 1.415 14 residues pruned to eliminate duplicates Z: 6 7.996 1.993 0.535 0.663 0.800 0.600 CB 1.257 Z: 12 15.332 1.894 0.446 0.819 1.000 0.909 CB 1.279 12 residues pruned to eliminate duplicates Z: 11 22.219 2.056 1.174 0.909 1.000 1.000 CB 1.116 Z: 14 18.256 1.844 0.738 0.848 1.000 0.769 CB 1.172 Z: 15 19.414 1.722 0.784 0.908 1.000 0.929 CA 1.200 Z: 12 30.409 2.187 0.957 0.874 1.000 0.818 CA 1.559 12 residues pruned to eliminate duplicates Z: 13 26.239 2.084 1.032 0.872 1.000 0.917 CA 1.303 13 residues pruned to eliminate duplicates Z: 23 29.954 2.022 0.646 0.853 1.000 0.864 CA 1.419 23 residues pruned to eliminate duplicates Z: 13 22.779 1.954 0.798 0.897 1.000 0.917 CA 1.339 Z: 12 20.435 2.065 0.580 0.874 1.000 1.000 CA 1.375 12 residues pruned to eliminate duplicates Z: 14 16.106 1.865 0.697 0.908 1.000 0.846 CB 1.003 Z: 14 22.849 1.933 1.116 0.835 1.000 0.923 CA 1.160 13 residues pruned to eliminate duplicates Z: 12 19.908 1.932 0.657 0.935 1.000 0.909 CB 1.306 12 residues pruned to eliminate duplicates Z: 13 27.044 2.059 0.837 0.832 1.000 0.833 CA 1.550 13 residues pruned to eliminate duplicates Z: 13 20.789 2.029 0.821 0.854 1.000 0.917 CA 1.200 13 residues pruned to eliminate duplicates Z: 12 19.504 1.981 0.706 0.867 1.000 0.818 CB 1.272 12 residues pruned to eliminate duplicates Z: 13 28.591 2.108 0.970 0.886 1.000 0.917 CA 1.434 13 residues pruned to eliminate duplicates Z: 22 28.193 1.980 0.773 0.823 0.952 0.571 CB 1.391 Z: 13 23.969 2.136 0.857 0.847 1.000 0.833 CA 1.296 13 residues pruned to eliminate duplicates Z: 14 27.010 2.016 0.839 0.862 1.000 0.769 CB 1.484 14 residues pruned to eliminate duplicates Z: 24 23.284 1.962 0.466 0.875 1.000 0.913 CA 1.228 24 residues pruned to eliminate duplicates Z: 12 20.033 1.828 0.777 0.820 1.000 0.818 CA 1.409 11 residues pruned to eliminate duplicates Z: 11 16.141 1.848 0.516 0.879 1.000 1.000 CA 1.320 10 residues pruned to eliminate duplicates Z: 13 17.306 1.800 0.753 0.926 1.000 0.917 CB 1.110 12 residues pruned to eliminate duplicates Z: 6 8.224 1.958 0.481 0.620 1.000 0.800 CB 1.132 Z: 13 15.481 1.659 0.602 0.852 0.917 0.833 CA 1.356 Z: 13 27.824 2.078 1.148 0.837 1.000 0.583 CA 1.346 13 residues pruned to eliminate duplicates Z: 12 13.340 1.909 0.571 0.398 1.000 0.545 N 1.493 Z: 11 29.462 2.075 1.172 0.923 1.000 0.900 CA 1.453 14 residues pruned to eliminate duplicates Z: 12 15.372 2.023 0.428 0.921 0.909 0.818 CB 1.242 12 residues pruned to eliminate duplicates Z: 12 25.238 2.125 0.841 0.906 1.000 0.909 CA 1.384 12 residues pruned to eliminate duplicates Z: 25 24.285 1.910 0.662 0.794 0.917 0.708 CB 1.317 24 residues pruned to eliminate duplicates Z: 14 19.378 1.909 0.767 0.864 0.923 0.692 CB 1.265 15 residues pruned to eliminate duplicates Z: 13 19.654 1.904 0.833 0.880 1.000 0.750 CB 1.178 Z: 31 22.409 1.975 0.685 0.597 0.933 0.633 CB 1.201 13 residues pruned to eliminate duplicates Z: 82 38.952 1.947 0.571 0.634 0.975 0.716 CA 1.280 68 residues pruned to eliminate duplicates Z: 13 20.497 2.005 0.667 0.867 0.917 0.833 CB 1.413 13 residues pruned to eliminate duplicates Z: 47 33.796 2.073 0.850 0.441 0.891 0.478 CB 1.549 28 residues pruned to eliminate duplicates Z: 13 18.111 1.807 0.790 0.935 1.000 0.917 CB 1.126 13 residues pruned to eliminate duplicates Z: 83 30.311 1.945 0.579 0.442 0.878 0.537 CB 1.317 34 residues pruned to eliminate duplicates Z: 14 14.985 1.741 0.688 0.835 0.923 0.923 CA 1.147 Z: 82 40.123 1.981 0.580 0.642 0.938 0.728 CB 1.329 82 residues pruned to eliminate duplicates Z: 9 9.776 1.774 0.907 0.780 0.750 0.625 CA 1.064 Z: 6 2.348 1.681 -0.147 0.535 0.800 0.400 CB 0.885 Z: 35 25.094 1.915 0.559 0.712 0.971 0.706 CA 1.226 Z: 22 24.507 1.972 0.709 0.862 0.952 0.571 CB 1.223 22 residues pruned to eliminate duplicates Z: 23 37.231 2.080 0.931 0.882 1.000 0.591 CA 1.430 Z: 27 15.429 1.880 0.515 0.385 0.885 0.500 CA 1.356 Z: 14 27.259 2.021 1.028 0.796 1.000 0.769 CA 1.424 14 residues pruned to eliminate duplicates Z: 6 5.633 1.742 0.700 0.534 0.800 0.800 CB 1.028 Z: 46 26.987 2.008 0.570 0.564 0.933 0.689 CB 1.285 13 residues pruned to eliminate duplicates Z: 40 29.579 2.081 0.599 0.590 0.949 0.718 CB 1.376 42 residues pruned to eliminate duplicates Z: 13 28.936 2.132 1.077 0.890 1.000 0.750 CA 1.358 13 residues pruned to eliminate duplicates Z: 24 35.555 1.968 1.019 0.887 1.000 0.609 CB 1.346 Z: 14 18.919 1.917 0.604 0.821 1.000 0.769 CB 1.292 14 residues pruned to eliminate duplicates Z: 8 6.895 1.831 0.491 0.455 0.714 0.571 O 1.400 Z: 23 30.074 2.029 0.641 0.866 1.000 0.636 CB 1.409 23 residues pruned to eliminate duplicates Z: 41 38.825 2.116 0.789 0.604 0.950 0.650 CB 1.546 41 residues pruned to eliminate duplicates Z: 8 12.986 1.831 0.552 0.785 1.000 0.714 CB 1.345 8 residues pruned to eliminate duplicates Z: 15 19.809 1.885 0.525 0.838 1.000 0.929 CB 1.376 15 residues pruned to eliminate duplicates Z: 11 19.300 2.093 1.039 0.917 0.900 0.700 CB 1.122 11 residues pruned to eliminate duplicates Z: 12 21.684 1.963 0.887 0.877 1.000 0.909 CA 1.282 12 residues pruned to eliminate duplicates Z: 10 7.827 1.451 0.531 0.604 0.889 0.556 CA 1.197 7 residues pruned to eliminate duplicates Z: 13 24.473 1.920 1.242 0.835 1.000 0.750 CA 1.229 12 residues pruned to eliminate duplicates Z: 22 26.456 2.045 0.564 0.898 1.000 0.810 CA 1.291 22 residues pruned to eliminate duplicates Z: 24 15.485 1.891 0.616 0.470 0.913 0.565 CB 1.193 24 residues pruned to eliminate duplicates Z: 12 24.304 1.998 0.915 0.894 1.000 0.909 CA 1.374 11 residues pruned to eliminate duplicates Z: 10 11.988 1.645 0.716 0.877 0.889 0.778 CA 1.157 10 residues pruned to eliminate duplicates Z: 39 33.645 2.055 0.743 0.629 0.921 0.711 CB 1.465 44 residues pruned to eliminate duplicates Z: 13 16.136 1.893 0.962 0.918 0.917 0.667 CB 0.964 13 residues pruned to eliminate duplicates Z: 13 8.794 1.685 1.029 0.467 0.750 0.417 CB 1.024 Z: 12 19.177 2.075 0.552 0.822 1.000 0.818 CA 1.358 12 residues pruned to eliminate duplicates Z: 24 37.015 2.034 0.917 0.893 1.000 0.783 CA 1.421 24 residues pruned to eliminate duplicates Z: 22 32.593 2.040 0.767 0.903 1.000 0.667 CA 1.406 22 residues pruned to eliminate duplicates Z: 17 7.064 1.831 0.221 0.432 0.812 0.625 CB 1.044 14 residues pruned to eliminate duplicates Z: 32 17.658 1.915 0.672 0.465 0.806 0.355 CB 1.272 14 residues pruned to eliminate duplicates Z: 18 15.256 1.993 0.845 0.379 0.882 0.294 CB 1.298 9 residues pruned to eliminate duplicates Z: 23 29.229 2.062 0.566 0.870 1.000 0.773 CA 1.408 23 residues pruned to eliminate duplicates Z: 13 17.131 1.876 0.827 0.882 0.917 0.500 CB 1.139 13 residues pruned to eliminate duplicates Z: 13 21.597 2.045 0.544 0.873 1.000 0.917 CA 1.437 13 residues pruned to eliminate duplicates Z: 24 28.618 2.060 0.560 0.887 1.000 0.870 CA 1.339 23 residues pruned to eliminate duplicates Z: 11 15.640 1.801 0.583 0.856 0.900 0.700 CA 1.422 11 residues pruned to eliminate duplicates Z: 13 25.053 1.981 0.987 0.820 1.000 0.917 CB 1.392 13 residues pruned to eliminate duplicates Z: 14 19.112 1.923 0.749 0.828 0.923 0.846 CB 1.285 14 residues pruned to eliminate duplicates Z: 12 14.493 1.880 0.738 0.852 0.909 0.818 CA 1.088 12 residues pruned to eliminate duplicates Z: 13 18.815 2.011 0.529 0.873 0.917 0.750 CB 1.404 13 residues pruned to eliminate duplicates Z: 10 14.430 1.981 0.397 0.893 1.000 1.000 CB 1.248 10 residues pruned to eliminate duplicates Z: 24 31.039 1.973 0.712 0.855 1.000 0.826 CA 1.414 23 residues pruned to eliminate duplicates Z: 23 30.339 1.989 0.920 0.860 0.909 0.682 CA 1.370 23 residues pruned to eliminate duplicates Z: 12 19.178 1.916 1.037 0.877 1.000 1.000 CB 1.076 12 residues pruned to eliminate duplicates Z: 33 25.363 2.043 0.553 0.581 0.906 0.688 CA 1.442 20 residues pruned to eliminate duplicates Z: 11 9.938 1.672 0.429 0.749 1.000 0.600 CA 1.053 11 residues pruned to eliminate duplicates Z: 13 20.070 1.831 0.547 0.852 1.000 0.667 CA 1.513 Z: 21 20.803 1.900 0.711 0.846 1.000 0.800 CA 1.063 21 residues pruned to eliminate duplicates Z: 23 34.483 2.041 0.795 0.848 1.000 0.636 CA 1.489 23 residues pruned to eliminate duplicates Z: 20 21.730 1.896 0.722 0.746 0.895 0.895 CA 1.369 18 residues pruned to eliminate duplicates Z: 14 22.468 1.968 0.918 0.868 0.923 0.769 CB 1.307 14 residues pruned to eliminate duplicates Z: 23 15.085 1.864 0.530 0.504 0.955 0.636 CB 1.177 23 residues pruned to eliminate duplicates Z: 14 20.102 1.895 0.816 0.824 0.923 0.615 CA 1.326 14 residues pruned to eliminate duplicates Z: 14 24.886 2.005 1.185 0.780 0.846 0.692 CA 1.455 14 residues pruned to eliminate duplicates Z: 10 10.825 1.745 0.747 0.620 0.889 0.333 CB 1.189 11 residues pruned to eliminate duplicates Z: 12 26.081 2.068 0.852 0.892 1.000 0.818 CA 1.475 12 residues pruned to eliminate duplicates Z: 9 13.778 1.962 0.366 0.844 1.000 0.875 CA 1.353 9 residues pruned to eliminate duplicates Z: 23 30.508 2.021 0.770 0.863 0.955 0.773 CA 1.397 23 residues pruned to eliminate duplicates Z: 27 13.478 1.878 0.497 0.436 0.769 0.346 CB 1.306 15 residues pruned to eliminate duplicates Z: 13 22.601 2.026 0.696 0.867 1.000 0.667 CA 1.389 13 residues pruned to eliminate duplicates Z: 23 28.826 1.959 0.859 0.885 1.000 0.818 CA 1.218 23 residues pruned to eliminate duplicates Z: 22 20.897 1.920 0.462 0.849 1.000 0.714 CA 1.204 22 residues pruned to eliminate duplicates Z: 17 23.908 2.040 1.041 0.896 0.750 0.500 CA 1.370 17 residues pruned to eliminate duplicates Z: 12 14.945 1.920 0.627 0.910 1.000 0.727 CB 1.023 12 residues pruned to eliminate duplicates Z: 23 36.401 2.022 1.030 0.889 1.000 0.500 CA 1.361 23 residues pruned to eliminate duplicates Z: 23 38.542 2.030 1.068 0.875 1.000 0.545 CA 1.424 24 residues pruned to eliminate duplicates Z: 10 2.903 1.669 0.474 0.224 0.556 0.333 CB 0.978 9 residues pruned to eliminate duplicates Z: 12 16.999 1.958 0.818 0.828 0.909 0.727 CA 1.193 12 residues pruned to eliminate duplicates Z: 14 21.673 1.850 0.759 0.862 1.000 0.846 CB 1.356 15 residues pruned to eliminate duplicates Z: 11 19.367 1.991 1.148 0.899 0.900 0.700 CB 1.138 11 residues pruned to eliminate duplicates Z: 23 25.273 1.942 0.526 0.843 1.000 0.773 CA 1.354 23 residues pruned to eliminate duplicates Z: 7 9.759 1.869 0.860 0.502 0.833 0.833 CB 1.372 10 residues pruned to eliminate duplicates Z: 10 21.131 1.997 0.694 0.826 1.000 0.778 CB 1.570 10 residues pruned to eliminate duplicates Z: 16 7.925 1.931 0.514 0.444 0.667 0.400 CB 1.111 16 residues pruned to eliminate duplicates Z: 46 24.980 1.914 0.713 0.523 0.867 0.600 CB 1.281 33 residues pruned to eliminate duplicates Z: 8 11.745 1.893 0.628 0.479 1.000 0.857 CA 1.471 8 residues pruned to eliminate duplicates Z: 14 16.517 1.924 0.437 0.875 0.923 0.769 CB 1.305 14 residues pruned to eliminate duplicates Z: 31 16.509 1.838 0.729 0.469 0.867 0.600 CB 1.129 28 residues pruned to eliminate duplicates Z: 11 15.535 1.817 0.906 0.708 0.900 0.800 CA 1.304 11 residues pruned to eliminate duplicates Z: 7 14.112 1.875 0.923 0.775 1.000 0.167 CA 1.253 11 residues pruned to eliminate duplicates Z: 15 15.737 1.669 0.392 0.838 1.000 0.714 CB 1.354 15 residues pruned to eliminate duplicates Z: 12 13.266 1.987 0.533 0.906 1.000 0.909 CB 0.934 12 residues pruned to eliminate duplicates Z: 33 37.828 2.115 0.956 0.584 0.969 0.625 CB 1.540 30 residues pruned to eliminate duplicates Z: 11 15.805 2.072 0.910 0.926 1.000 0.900 CB 0.886 11 residues pruned to eliminate duplicates Z: 15 9.721 1.951 0.430 0.347 0.857 0.286 CB 1.283 Z: 6 4.755 1.753 0.594 0.554 0.800 0.600 CA 0.902 Z: 42 36.122 2.048 0.874 0.524 0.927 0.610 CA 1.549 42 residues pruned to eliminate duplicates Z: 9 10.721 1.749 0.188 0.841 1.000 0.875 CB 1.361 Z: 24 37.726 2.068 0.960 0.876 0.957 0.696 CA 1.475 24 residues pruned to eliminate duplicates Z: 40 33.609 2.042 0.905 0.504 0.949 0.513 CB 1.452 19 residues pruned to eliminate duplicates Z: 14 15.701 1.720 0.551 0.857 1.000 0.846 CB 1.203 14 residues pruned to eliminate duplicates Z: 6 12.441 1.882 0.714 0.735 1.000 0.400 CA 1.396 6 residues pruned to eliminate duplicates Z: 14 14.197 1.985 0.525 0.522 0.846 0.692 CB 1.504 Z: 23 27.412 1.945 0.710 0.880 0.955 0.909 CB 1.334 23 residues pruned to eliminate duplicates Z: 22 22.475 2.040 0.498 0.850 0.952 0.810 CA 1.248 22 residues pruned to eliminate duplicates Z: 6 5.461 1.514 1.233 0.541 0.600 0.400 CB 1.156 6 residues pruned to eliminate duplicates Z: 23 34.660 2.011 0.986 0.876 1.000 0.682 CA 1.345 24 residues pruned to eliminate duplicates Z: 41 32.776 2.052 0.885 0.562 0.900 0.500 CB 1.402 41 residues pruned to eliminate duplicates Z: 17 8.029 1.633 0.434 0.305 0.875 0.438 N 1.216 Z: 12 24.247 1.924 1.111 0.855 1.000 0.818 CB 1.328 12 residues pruned to eliminate duplicates Z: 23 29.976 2.034 0.634 0.889 1.000 0.727 CA 1.384 23 residues pruned to eliminate duplicates Z: 12 21.749 1.885 0.916 0.885 1.000 1.000 CB 1.311 11 residues pruned to eliminate duplicates Z: 23 25.426 1.954 0.679 0.846 0.909 0.636 CA 1.351 23 residues pruned to eliminate duplicates Z: 44 36.906 2.092 0.858 0.529 0.953 0.558 CB 1.476 45 residues pruned to eliminate duplicates Z: 23 29.020 2.032 0.570 0.871 1.000 0.909 CA 1.414 23 residues pruned to eliminate duplicates Z: 6 5.486 1.722 0.888 0.491 0.800 0.600 N 0.952 Z: 38 21.619 1.924 0.446 0.545 0.892 0.676 CB 1.371 29 residues pruned to eliminate duplicates Z: 22 29.650 2.049 0.710 0.885 0.952 0.667 CB 1.400 22 residues pruned to eliminate duplicates Z: 14 10.175 1.885 0.438 0.623 0.923 0.538 CB 1.004 14 residues pruned to eliminate duplicates Z: 23 24.736 2.013 0.417 0.855 1.000 0.818 CA 1.364 23 residues pruned to eliminate duplicates Z: 23 31.729 2.014 0.751 0.882 1.000 0.864 CA 1.388 23 residues pruned to eliminate duplicates Z: 39 21.112 1.882 0.336 0.582 0.921 0.737 CB 1.368 37 residues pruned to eliminate duplicates Z: 22 17.814 1.947 0.371 0.849 0.810 0.714 CA 1.334 22 residues pruned to eliminate duplicates Z: 6 6.068 1.743 0.573 0.556 0.800 0.600 CB 1.172 6 1.025 1.341 0.534 0.297 0.600 0.400 CB 0.466 ? Z: 26 10.338 1.752 0.439 0.275 0.840 0.560 CB 1.260 4 residues pruned to eliminate duplicates Z: 17 17.167 1.934 0.589 0.835 0.875 0.688 CA 1.196 17 residues pruned to eliminate duplicates Z: 12 27.336 2.088 0.900 0.891 1.000 0.818 CB 1.494 12 residues pruned to eliminate duplicates Z: 12 22.768 2.099 0.793 0.870 1.000 1.000 CA 1.332 12 residues pruned to eliminate duplicates Z: 14 17.197 1.848 0.553 0.818 1.000 0.846 CA 1.261 14 residues pruned to eliminate duplicates Z: 13 19.479 2.008 0.557 0.934 1.000 1.000 CA 1.254 13 residues pruned to eliminate duplicates Z: 14 8.139 1.721 0.566 0.264 0.846 0.308 CB 1.296 6 residues pruned to eliminate duplicates Z: 24 31.374 2.048 0.967 0.832 0.957 0.565 CA 1.274 24 residues pruned to eliminate duplicates Z: 7 6.855 1.665 1.328 0.597 0.667 0.500 N 0.988 Z: 24 28.879 1.962 0.792 0.847 1.000 0.826 CA 1.271 24 residues pruned to eliminate duplicates Z: 11 11.007 1.568 0.598 0.801 0.800 0.700 N 1.335 Z: 14 20.230 1.721 0.652 0.853 1.000 0.769 CB 1.459 14 residues pruned to eliminate duplicates Z: 22 20.040 1.886 0.280 0.874 1.000 0.762 CA 1.318 22 residues pruned to eliminate duplicates Z: 23 25.150 2.004 0.618 0.859 0.955 0.864 CA 1.275 23 residues pruned to eliminate duplicates Z: 13 22.903 1.879 0.763 0.926 1.000 0.917 CB 1.400 13 residues pruned to eliminate duplicates Z: 22 24.881 1.962 0.600 0.829 0.952 0.810 CA 1.367 22 residues pruned to eliminate duplicates Z: 22 22.966 1.980 0.491 0.845 0.905 0.714 CB 1.395 22 residues pruned to eliminate duplicates Z: 12 19.319 1.911 0.845 0.922 1.000 0.909 CB 1.162 12 residues pruned to eliminate duplicates Z: 8 5.917 1.849 0.921 0.403 0.857 0.429 CB 0.813 10 residues pruned to eliminate duplicates Z: 23 29.013 1.960 0.978 0.864 0.864 0.636 CA 1.354 23 residues pruned to eliminate duplicates Z: 8 4.521 1.599 0.646 0.275 0.857 0.571 CB 0.978 Z: 23 21.955 1.856 0.510 0.862 1.000 0.818 CB 1.226 23 residues pruned to eliminate duplicates Z: 27 17.676 1.950 0.743 0.576 0.885 0.654 CB 1.072 22 residues pruned to eliminate duplicates Z: 36 16.464 1.797 0.588 0.538 0.914 0.543 CB 1.028 26 residues pruned to eliminate duplicates Z: 22 13.330 1.998 0.526 0.417 0.810 0.619 CB 1.284 22 residues pruned to eliminate duplicates Z: 19 11.661 1.879 0.534 0.450 0.944 0.556 CB 1.063 19 residues pruned to eliminate duplicates Z: 7 9.776 1.792 0.549 0.742 1.000 1.000 CB 1.157 Z: 11 13.623 1.794 0.508 0.866 1.000 0.600 CB 1.166 9 residues pruned to eliminate duplicates Z: 16 11.358 1.841 0.354 0.719 0.867 0.733 CB 1.114 18 residues pruned to eliminate duplicates Z: 38 24.586 1.999 0.685 0.523 0.865 0.486 CB 1.356 78 residues pruned to eliminate duplicates Z: 13 26.332 2.039 1.083 0.884 0.917 0.833 CB 1.410 13 residues pruned to eliminate duplicates Z: 7 3.156 1.602 -0.143 0.408 1.000 0.667 CB 1.034 Z: 24 24.065 1.973 0.541 0.846 0.957 0.696 CA 1.282 24 residues pruned to eliminate duplicates Z: 12 20.304 1.916 0.812 0.858 1.000 0.545 CB 1.298 12 residues pruned to eliminate duplicates Z: 6 9.038 1.941 0.406 0.665 0.800 0.800 CA 1.589 6 residues pruned to eliminate duplicates Z: 8 13.061 2.005 0.296 0.763 1.000 0.714 CA 1.503 8 residues pruned to eliminate duplicates Z: 6 4.798 1.828 0.590 0.298 0.800 0.400 CB 1.156 6 residues pruned to eliminate duplicates Z: 24 22.238 2.006 0.383 0.842 1.000 0.783 CA 1.246 24 residues pruned to eliminate duplicates Z: 22 28.684 1.967 0.848 0.864 1.000 0.667 CB 1.262 22 residues pruned to eliminate duplicates Z: 7 6.088 1.398 1.369 0.416 0.833 0.500 CB 0.982 Z: 14 25.858 2.015 0.847 0.877 1.000 0.923 CA 1.400 14 residues pruned to eliminate duplicates Z: 13 18.879 1.885 0.909 0.851 1.000 0.750 CB 1.121 13 residues pruned to eliminate duplicates Z: 36 14.475 1.824 0.559 0.367 0.829 0.457 CB 1.198 28 residues pruned to eliminate duplicates Z: 15 11.193 1.787 0.307 0.596 1.000 0.500 CB 1.168 Z: 11 17.263 2.031 0.812 0.907 0.900 0.800 CB 1.171 11 residues pruned to eliminate duplicates Z: 13 29.861 2.075 1.068 0.848 1.000 0.667 CA 1.490 13 residues pruned to eliminate duplicates Z: 58 27.761 1.960 0.501 0.548 0.895 0.649 CA 1.334 58 residues pruned to eliminate duplicates Z: 10 9.587 1.890 0.347 0.815 1.000 0.889 CB 0.955 10 residues pruned to eliminate duplicates Z: 11 13.728 1.773 0.461 0.902 1.000 0.700 CA 1.196 11 residues pruned to eliminate duplicates Z: 9 16.286 2.002 0.755 0.634 1.000 0.500 N 1.444 9 residues pruned to eliminate duplicates Z: 23 23.015 1.936 0.723 0.848 0.818 0.591 CB 1.333 23 residues pruned to eliminate duplicates Z: 27 22.125 1.968 0.719 0.562 0.923 0.654 CB 1.308 26 residues pruned to eliminate duplicates Z: 9 8.130 1.607 0.515 0.503 1.000 0.750 CB 1.177 6 residues pruned to eliminate duplicates Z: 36 18.210 1.905 0.546 0.450 0.914 0.629 CB 1.204 13 residues pruned to eliminate duplicates Z: 54 24.464 1.861 0.622 0.450 0.887 0.491 CA 1.322 32 residues pruned to eliminate duplicates 6 1.518 1.503 0.360 0.364 0.800 0.400 N 0.481 ? Z: 42 15.220 1.817 0.507 0.403 0.829 0.561 CB 1.159 35 residues pruned to eliminate duplicates Z: 23 23.915 1.936 0.530 0.846 1.000 0.591 CB 1.279 23 residues pruned to eliminate duplicates Z: 14 13.186 2.046 0.343 0.692 0.846 0.769 CB 1.319 14 residues pruned to eliminate duplicates Z: 12 16.303 1.714 0.562 0.833 0.909 0.818 CB 1.515 12 residues pruned to eliminate duplicates Z: 8 10.012 1.682 0.490 0.791 1.000 0.429 CB 1.170 8 residues pruned to eliminate duplicates Z: 6 7.355 1.848 0.319 0.709 0.800 0.600 CA 1.395 Z: 43 26.178 1.976 0.642 0.498 0.905 0.524 CB 1.379 49 residues pruned to eliminate duplicates Z: 8 5.125 1.777 0.603 0.394 0.857 0.714 CB 0.887 Z: 42 39.606 2.130 0.873 0.542 0.976 0.634 CB 1.525 42 residues pruned to eliminate duplicates Z: 23 39.162 2.089 0.980 0.909 1.000 0.727 CA 1.433 22 residues pruned to eliminate duplicates Z: 13 16.820 1.879 0.552 0.879 1.000 0.917 CB 1.208 13 residues pruned to eliminate duplicates Z: 43 30.292 2.019 0.788 0.452 0.929 0.524 CB 1.464 43 residues pruned to eliminate duplicates Z: 42 35.765 2.084 0.816 0.550 0.976 0.610 CB 1.441 42 residues pruned to eliminate duplicates Z: 6 3.743 1.731 0.418 0.141 0.800 0.600 CB 1.329 6 residues pruned to eliminate duplicates Z: 23 38.392 2.066 0.952 0.903 1.000 0.773 CA 1.447 23 residues pruned to eliminate duplicates Z: 7 7.397 1.819 0.849 0.677 0.833 0.833 CB 0.915 Z: 7 2.633 1.530 0.490 0.587 0.833 0.667 CB 0.520 Z: 9 7.619 1.651 0.214 0.724 1.000 0.625 CA 1.098 Z: 95 37.081 1.947 0.491 0.564 0.947 0.681 CB 1.308 95 residues pruned to eliminate duplicates Z: 24 29.794 1.997 0.813 0.878 1.000 0.739 CA 1.246 24 residues pruned to eliminate duplicates Z: 7 6.982 1.814 0.118 0.876 1.000 1.000 CB 1.022 7 residues pruned to eliminate duplicates Z: 24 31.380 2.123 0.978 0.616 0.913 0.696 CB 1.530 24 residues pruned to eliminate duplicates Z: 8 4.633 1.643 0.109 0.690 1.000 0.857 CB 0.807 Z: 61 43.729 2.010 0.892 0.594 0.967 0.567 CB 1.404 78 residues pruned to eliminate duplicates Z: 8 9.276 1.775 0.518 0.694 1.000 0.714 CA 1.090 7 residues pruned to eliminate duplicates Z: 22 25.650 1.971 0.444 0.903 1.000 0.810 CB 1.401 22 residues pruned to eliminate duplicates Z: 6 11.586 1.967 0.602 0.590 1.000 0.800 CB 1.508 6 residues pruned to eliminate duplicates 6 1.037 1.527 0.226 0.250 0.600 0.400 CB 0.551 ? Z: 40 20.990 1.866 0.650 0.441 0.897 0.615 CB 1.292 43 residues pruned to eliminate duplicates Z: 7 9.123 1.801 0.355 0.852 1.000 1.000 CB 1.129 8 residues pruned to eliminate duplicates Z: 13 12.927 1.541 0.652 0.850 0.917 0.750 CA 1.184 13 residues pruned to eliminate duplicates Z: 16 8.785 1.786 0.337 0.495 0.867 0.667 CB 1.101 Z: 10 5.432 1.635 0.229 0.551 0.889 0.444 CB 0.965 Z: 16 10.981 1.810 0.520 0.587 0.800 0.533 CB 1.185 15 residues pruned to eliminate duplicates Z: 14 16.090 1.842 0.717 0.743 0.923 0.692 CB 1.230 14 residues pruned to eliminate duplicates Z: 12 24.596 1.925 1.172 0.865 1.000 0.727 CB 1.299 12 residues pruned to eliminate duplicates Z: 29 14.203 1.884 0.397 0.476 0.857 0.571 CB 1.220 29 residues pruned to eliminate duplicates Z: 10 16.426 1.923 1.083 0.923 1.000 0.556 CB 0.961 10 residues pruned to eliminate duplicates Z: 15 13.321 1.542 0.625 0.808 0.857 0.857 CA 1.267 15 residues pruned to eliminate duplicates Z: 16 11.024 1.878 0.601 0.430 0.867 0.467 CB 1.175 16 residues pruned to eliminate duplicates Z: 37 17.970 1.855 0.427 0.437 0.917 0.528 CB 1.317 10 residues pruned to eliminate duplicates Z: 14 8.887 1.734 0.298 0.586 0.923 0.692 CB 1.092 14 residues pruned to eliminate duplicates Z: 21 12.629 1.778 0.567 0.477 0.800 0.500 CB 1.297 21 residues pruned to eliminate duplicates Z: 12 14.932 1.920 0.598 0.889 1.000 0.636 CB 1.057 12 residues pruned to eliminate duplicates Z: 29 16.133 1.906 0.297 0.495 0.893 0.536 CB 1.388 23 residues pruned to eliminate duplicates Z: 13 4.731 1.535 0.049 0.667 0.917 0.583 CB 0.793 10 residues pruned to eliminate duplicates Z: 24 23.221 1.890 0.674 0.823 1.000 0.826 CA 1.156 24 residues pruned to eliminate duplicates Z: 13 7.553 1.776 0.474 0.471 0.750 0.333 CB 1.143 Z: 25 31.631 2.101 0.717 0.806 0.958 0.875 CA 1.430 24 residues pruned to eliminate duplicates Z: 22 31.451 2.078 0.737 0.880 1.000 0.857 CA 1.378 22 residues pruned to eliminate duplicates Z: 6 5.690 1.683 0.016 0.828 1.000 0.800 CA 1.121 6 residues pruned to eliminate duplicates Z: 51 29.997 1.977 0.629 0.581 0.920 0.700 CB 1.325 51 residues pruned to eliminate duplicates Z: 42 38.890 2.116 0.844 0.570 0.976 0.634 CB 1.492 42 residues pruned to eliminate duplicates 6 1.623 1.453 0.202 0.423 0.600 0.400 CB 0.751 ? Z: 22 21.865 1.902 0.590 0.817 1.000 0.714 CA 1.198 22 residues pruned to eliminate duplicates Z: 13 27.454 2.069 1.007 0.857 1.000 0.667 CA 1.407 13 residues pruned to eliminate duplicates Z: 14 12.216 1.840 0.319 0.782 0.923 0.615 CA 1.180 14 residues pruned to eliminate duplicates Z: 26 27.405 1.926 0.890 0.626 1.000 0.680 CB 1.337 12 residues pruned to eliminate duplicates Z: 24 25.101 1.959 0.607 0.864 0.957 0.826 CA 1.275 24 residues pruned to eliminate duplicates Z: 42 19.839 1.827 0.416 0.556 0.927 0.585 CB 1.224 13 residues pruned to eliminate duplicates Z: 41 14.595 1.775 0.319 0.445 0.850 0.525 CB 1.228 13 residues pruned to eliminate duplicates Z: 14 20.085 1.780 0.938 0.885 0.846 0.385 CB 1.377 20 residues pruned to eliminate duplicates Z: 23 26.436 2.004 0.598 0.854 0.955 0.864 CA 1.362 23 residues pruned to eliminate duplicates Z: 13 22.133 2.042 1.001 0.858 1.000 0.917 CA 1.152 13 residues pruned to eliminate duplicates Z: 22 35.775 2.037 0.931 0.899 1.000 0.905 CA 1.418 22 residues pruned to eliminate duplicates Z: 7 8.275 1.738 0.571 0.646 0.833 0.667 CA 1.296 7 residues pruned to eliminate duplicates Z: 23 23.446 1.968 0.535 0.872 1.000 0.818 CA 1.207 23 residues pruned to eliminate duplicates Z: 6 4.452 1.769 0.633 0.389 0.800 0.400 CB 0.969 6 residues pruned to eliminate duplicates Z: 23 30.164 1.999 0.909 0.883 0.909 0.727 CA 1.341 23 residues pruned to eliminate duplicates Z: 15 7.484 1.794 0.678 0.561 0.786 0.571 CB 0.797 15 residues pruned to eliminate duplicates Z: 12 15.368 1.897 0.642 0.875 0.909 0.818 CA 1.189 12 residues pruned to eliminate duplicates Z: 19 18.483 2.036 0.685 0.393 0.889 0.500 CB 1.600 19 residues pruned to eliminate duplicates Z: 23 33.635 2.041 0.771 0.896 1.000 0.955 CB 1.422 23 residues pruned to eliminate duplicates Z: 39 26.785 1.982 0.699 0.574 0.947 0.632 CA 1.268 39 residues pruned to eliminate duplicates Z: 42 31.481 2.072 0.710 0.530 0.902 0.585 CB 1.493 42 residues pruned to eliminate duplicates Z: 10 12.333 1.835 0.293 0.912 1.000 0.889 CA 1.227 10 residues pruned to eliminate duplicates Z: 15 17.884 1.975 1.017 0.430 0.929 0.571 CA 1.389 15 residues pruned to eliminate duplicates Z: 13 20.061 1.977 0.842 0.894 1.000 1.000 CB 1.140 13 residues pruned to eliminate duplicates Z: 41 24.697 1.937 0.547 0.520 0.925 0.650 CA 1.381 37 residues pruned to eliminate duplicates Z: 8 9.026 1.689 0.938 0.760 0.714 0.429 CB 1.158 8 residues pruned to eliminate duplicates Z: 34 16.553 1.885 0.683 0.507 0.758 0.515 CB 1.191 34 residues pruned to eliminate duplicates Z: 28 13.339 1.780 0.532 0.467 0.889 0.593 CB 1.095 12 residues pruned to eliminate duplicates Z: 7 9.374 1.743 0.632 0.815 1.000 0.833 CB 1.023 7 residues pruned to eliminate duplicates Z: 18 11.946 1.800 0.581 0.493 0.882 0.471 CB 1.163 18 residues pruned to eliminate duplicates Z: 12 16.103 1.972 0.376 0.892 1.000 1.000 CA 1.286 12 residues pruned to eliminate duplicates Z: 39 36.859 2.038 0.848 0.529 1.000 0.474 CB 1.543 40 residues pruned to eliminate duplicates Z: 23 29.564 1.936 0.676 0.870 1.000 0.727 CB 1.417 23 residues pruned to eliminate duplicates Z: 15 19.512 1.768 0.630 0.838 1.000 0.714 CA 1.352 15 residues pruned to eliminate duplicates Z: 20 29.560 2.087 0.773 0.910 1.000 0.895 CA 1.299 20 residues pruned to eliminate duplicates Z: 22 24.685 1.951 0.615 0.854 0.952 0.619 CB 1.326 22 residues pruned to eliminate duplicates Z: 12 16.310 1.881 0.664 0.888 0.909 0.455 CB 1.245 12 residues pruned to eliminate duplicates Z: 15 11.361 1.813 0.411 0.397 0.929 0.429 CB 1.425 15 residues pruned to eliminate duplicates Z: 23 26.483 2.047 0.435 0.899 1.000 0.864 CA 1.375 23 residues pruned to eliminate duplicates Z: 13 13.557 1.716 0.454 0.860 0.917 0.833 CA 1.258 13 residues pruned to eliminate duplicates Z: 48 28.764 1.979 0.827 0.439 0.894 0.426 CB 1.383 48 residues pruned to eliminate duplicates Z: 22 38.561 2.047 1.103 0.885 1.000 0.762 CB 1.412 28 residues pruned to eliminate duplicates Z: 13 14.748 1.827 0.551 0.741 0.917 0.750 CB 1.321 13 residues pruned to eliminate duplicates Z: 6 9.173 1.840 0.298 0.867 1.000 0.800 CB 1.257 6 residues pruned to eliminate duplicates Z: 10 12.018 1.677 0.346 0.872 1.000 0.889 CA 1.293 10 residues pruned to eliminate duplicates Z: 34 16.139 1.839 0.467 0.447 0.848 0.636 CA 1.296 34 residues pruned to eliminate duplicates Z: 9 4.371 1.586 0.419 0.301 0.750 0.500 CB 1.143 Z: 39 20.291 1.838 0.420 0.634 0.921 0.684 CB 1.208 38 residues pruned to eliminate duplicates Z: 15 6.639 1.785 0.264 0.394 0.786 0.357 CB 1.121 15 residues pruned to eliminate duplicates Z: 6 5.994 1.650 0.399 0.838 1.000 0.800 CB 0.869 6 residues pruned to eliminate duplicates Z: 6 2.514 1.490 0.725 0.463 0.800 0.400 CB 0.567 Z: 43 17.020 1.731 0.534 0.480 0.857 0.524 CB 1.178 33 residues pruned to eliminate duplicates Z: 11 10.974 1.743 0.042 0.915 1.000 0.900 CA 1.350 11 residues pruned to eliminate duplicates Z: 17 14.384 1.905 0.607 0.481 0.812 0.562 CA 1.475 17 residues pruned to eliminate duplicates Z: 22 27.219 1.983 0.746 0.875 0.952 0.714 CB 1.310 22 residues pruned to eliminate duplicates Z: 8 8.269 1.699 0.666 0.539 1.000 0.714 CB 1.063 Z: 23 30.584 1.960 0.827 0.864 0.955 0.591 CA 1.399 23 residues pruned to eliminate duplicates Z: 21 25.245 1.934 0.756 0.852 0.950 0.750 CB 1.294 21 residues pruned to eliminate duplicates Z: 7 5.836 1.839 0.054 0.686 0.833 0.667 CB 1.244 8 residues pruned to eliminate duplicates Z: 12 5.331 1.514 0.364 0.643 0.727 0.455 CB 0.936 12 residues pruned to eliminate duplicates Z: 15 7.120 1.774 0.275 0.491 0.857 0.429 CB 0.990 15 residues pruned to eliminate duplicates Z: 15 9.716 1.808 0.266 0.681 0.929 0.571 CB 1.034 15 residues pruned to eliminate duplicates Z: 23 17.444 1.918 0.246 0.849 1.000 0.682 CA 1.154 23 residues pruned to eliminate duplicates Z: 20 7.329 1.648 0.367 0.225 0.842 0.316 CB 1.223 20 residues pruned to eliminate duplicates Z: 36 17.066 1.811 0.487 0.424 0.914 0.429 CB 1.269 36 residues pruned to eliminate duplicates Z: 12 23.660 2.039 1.039 0.861 1.000 0.909 CB 1.261 12 residues pruned to eliminate duplicates Z: 8 8.845 1.736 0.621 0.810 1.000 0.571 CB 0.907 Z: 8 5.362 1.627 0.382 0.687 0.857 0.714 CB 0.885 8 residues pruned to eliminate duplicates Z: 19 18.882 2.044 0.769 0.482 0.833 0.389 CB 1.504 19 residues pruned to eliminate duplicates Z: 77 34.750 1.923 0.501 0.641 0.934 0.697 CB 1.295 79 residues pruned to eliminate duplicates Z: 76 34.597 1.985 0.738 0.443 0.893 0.547 CB 1.374 76 residues pruned to eliminate duplicates Z: 6 2.337 1.631 0.114 0.784 1.000 0.800 CB 0.448 Z: 11 3.364 1.500 0.064 0.399 0.700 0.400 N 1.058 Z: 12 17.852 1.903 0.540 0.914 0.909 0.727 CB 1.429 19 residues pruned to eliminate duplicates Z: 14 12.423 1.726 0.644 0.647 1.000 0.692 CB 1.059 14 residues pruned to eliminate duplicates Z: 10 5.528 1.588 0.659 0.278 0.889 0.444 CB 1.011 Z: 15 16.859 1.929 0.513 0.845 1.000 0.786 CB 1.148 15 residues pruned to eliminate duplicates Z: 12 7.842 1.808 0.143 0.368 1.000 0.727 CA 1.319 12 residues pruned to eliminate duplicates Z: 31 17.868 1.926 0.423 0.513 0.867 0.667 CB 1.356 31 residues pruned to eliminate duplicates Z: 24 29.199 1.930 0.787 0.858 1.000 0.783 CA 1.300 24 residues pruned to eliminate duplicates Z: 13 17.484 1.930 0.748 0.804 1.000 0.750 CA 1.147 13 residues pruned to eliminate duplicates Z: 39 27.410 2.026 0.750 0.545 0.895 0.658 CA 1.342 39 residues pruned to eliminate duplicates Z: 6 2.698 1.730 0.248 0.536 0.800 0.800 CB 0.674 Z: 89 38.198 1.938 0.634 0.592 0.932 0.670 CB 1.264 89 residues pruned to eliminate duplicates Z: 10 12.740 1.835 0.267 0.921 1.000 0.889 CA 1.285 10 residues pruned to eliminate duplicates Z: 11 21.650 2.020 0.907 0.902 1.000 0.900 CB 1.268 11 residues pruned to eliminate duplicates Z: 33 18.459 1.875 0.544 0.499 0.906 0.625 CA 1.245 33 residues pruned to eliminate duplicates Z: 22 10.488 1.695 0.233 0.631 0.905 0.810 CA 1.070 22 residues pruned to eliminate duplicates Z: 23 26.507 2.009 0.671 0.822 0.955 0.682 CA 1.334 23 residues pruned to eliminate duplicates Z: 38 19.278 1.918 0.540 0.468 0.892 0.622 CB 1.243 39 residues pruned to eliminate duplicates Z: 11 20.550 2.026 0.822 0.900 0.900 0.800 CA 1.397 11 residues pruned to eliminate duplicates Z: 9 9.306 1.931 0.129 0.657 1.000 0.625 CA 1.304 9 residues pruned to eliminate duplicates Z: 27 15.810 1.805 0.549 0.528 0.885 0.615 CB 1.219 27 residues pruned to eliminate duplicates Z: 11 16.469 1.787 0.880 0.847 1.000 0.800 CB 1.151 11 residues pruned to eliminate duplicates Z: 13 7.373 1.758 0.537 0.246 0.750 0.500 N 1.409 14 residues pruned to eliminate duplicates Z: 9 9.269 1.544 0.628 0.744 1.000 0.625 CB 1.048 9 residues pruned to eliminate duplicates Z: 7 7.677 1.715 0.679 0.751 0.833 0.667 CB 1.045 7 residues pruned to eliminate duplicates Z: 23 34.564 2.028 0.822 0.883 1.000 0.818 CA 1.442 23 residues pruned to eliminate duplicates Z: 10 13.626 2.085 0.346 0.910 1.000 1.000 CB 1.147 10 residues pruned to eliminate duplicates Z: 38 31.065 2.015 0.662 0.585 0.973 0.676 CB 1.444 35 residues pruned to eliminate duplicates Z: 21 24.341 2.009 0.641 0.888 0.950 0.650 CB 1.253 21 residues pruned to eliminate duplicates Z: 11 10.132 1.625 0.642 0.814 0.900 0.700 CB 1.015 Z: 24 25.425 1.893 0.709 0.847 0.957 0.826 CA 1.272 24 residues pruned to eliminate duplicates Z: 10 6.314 1.667 0.671 0.393 0.889 0.667 CB 0.953 9 residues pruned to eliminate duplicates Z: 10 12.532 1.634 0.846 0.775 0.889 0.667 CB 1.222 9 residues pruned to eliminate duplicates Z: 14 23.042 1.749 0.810 0.904 1.000 0.846 CB 1.437 14 residues pruned to eliminate duplicates Z: 23 32.289 2.067 0.756 0.891 1.000 0.955 CA 1.364 23 residues pruned to eliminate duplicates Z: 11 10.330 1.864 0.560 0.376 1.000 0.400 CB 1.282 11 residues pruned to eliminate duplicates Z: 12 15.469 1.874 0.554 0.910 0.909 0.364 CB 1.249 12 residues pruned to eliminate duplicates Z: 11 19.668 1.972 0.790 0.923 1.000 0.900 CB 1.238 11 residues pruned to eliminate duplicates Z: 12 21.106 1.995 0.671 0.880 1.000 0.818 CB 1.382 12 residues pruned to eliminate duplicates Z: 13 25.263 1.982 1.061 0.813 1.000 0.833 CA 1.360 13 residues pruned to eliminate duplicates Z: 21 15.737 1.845 0.560 0.558 0.950 0.550 CA 1.216 21 residues pruned to eliminate duplicates Z: 12 11.335 1.878 0.298 0.738 1.000 0.545 CA 1.132 12 residues pruned to eliminate duplicates Z: 27 23.804 2.012 0.406 0.690 1.000 0.692 CA 1.387 27 residues pruned to eliminate duplicates Z: 39 23.912 1.896 0.803 0.560 0.895 0.605 CB 1.196 39 residues pruned to eliminate duplicates Z: 83 41.447 1.981 0.762 0.491 0.939 0.585 CB 1.409 83 residues pruned to eliminate duplicates Z: 12 25.682 2.116 0.891 0.843 1.000 0.455 CB 1.441 12 residues pruned to eliminate duplicates Z: 43 18.805 1.849 0.548 0.420 0.857 0.571 CB 1.286 43 residues pruned to eliminate duplicates Z: 7 2.392 1.447 0.445 0.431 0.500 0.500 CB 1.003 6 residues pruned to eliminate duplicates Z: 22 19.308 1.922 0.458 0.861 0.905 0.714 CA 1.222 22 residues pruned to eliminate duplicates Z: 21 11.066 1.886 0.502 0.312 0.750 0.450 CB 1.434 21 residues pruned to eliminate duplicates Z: 56 24.958 1.933 0.591 0.509 0.855 0.618 CB 1.269 56 residues pruned to eliminate duplicates Z: 40 21.024 1.822 0.567 0.445 0.923 0.667 CB 1.352 35 residues pruned to eliminate duplicates Z: 23 26.256 1.983 0.558 0.867 1.000 0.818 CA 1.325 23 residues pruned to eliminate duplicates Z: 6 10.340 1.902 1.001 0.710 0.800 0.600 CA 1.256 6 residues pruned to eliminate duplicates Z: 46 26.870 2.007 0.600 0.567 0.933 0.533 CB 1.253 46 residues pruned to eliminate duplicates Z: 11 8.962 1.683 0.159 0.789 0.900 0.800 CA 1.253 11 residues pruned to eliminate duplicates Z: 6 3.899 1.425 0.289 0.384 1.000 0.600 N 1.073 Z: 10 6.810 1.653 0.361 0.571 0.889 0.667 CA 1.060 10 residues pruned to eliminate duplicates Z: 11 15.009 1.904 0.737 0.532 1.000 0.600 CB 1.390 11 residues pruned to eliminate duplicates Z: 39 26.803 1.952 0.795 0.544 0.895 0.526 CB 1.329 39 residues pruned to eliminate duplicates Z: 22 25.826 1.973 0.552 0.867 0.952 0.667 CB 1.414 22 residues pruned to eliminate duplicates Z: 23 25.714 2.018 0.436 0.879 1.000 0.818 CB 1.371 23 residues pruned to eliminate duplicates Z: 19 7.315 1.576 0.670 0.304 0.722 0.278 CB 1.128 19 residues pruned to eliminate duplicates Z: 6 3.441 1.720 0.410 0.237 0.800 0.200 CA 1.077 6 residues pruned to eliminate duplicates Z: 24 36.638 2.057 0.997 0.871 1.000 0.826 CA 1.356 24 residues pruned to eliminate duplicates Z: 16 5.988 1.678 0.183 0.404 0.800 0.533 CB 1.077 8 residues pruned to eliminate duplicates Z: 11 4.226 1.638 -0.019 0.552 0.900 0.600 CB 0.878 11 residues pruned to eliminate duplicates Z: 15 14.454 1.744 0.504 0.863 0.929 0.857 CA 1.164 15 residues pruned to eliminate duplicates Z: 20 22.032 2.038 0.324 0.940 1.000 0.947 CA 1.302 20 residues pruned to eliminate duplicates Z: 23 31.406 1.964 0.999 0.860 0.955 0.864 CA 1.314 23 residues pruned to eliminate duplicates Z: 22 25.560 1.883 0.579 0.883 1.000 0.810 CA 1.356 22 residues pruned to eliminate duplicates Z: 16 12.076 1.788 0.391 0.629 0.867 0.733 CB 1.281 16 residues pruned to eliminate duplicates Z: 43 23.816 1.945 0.730 0.506 0.810 0.643 CB 1.341 43 residues pruned to eliminate duplicates Z: 15 18.554 1.713 0.920 0.825 0.929 0.786 CA 1.225 15 residues pruned to eliminate duplicates Z: 14 17.176 1.822 0.879 0.787 1.000 0.615 CB 1.081 14 residues pruned to eliminate duplicates Z: 7 7.305 1.729 0.306 0.778 0.833 0.667 CB 1.240 7 residues pruned to eliminate duplicates Z: 17 5.123 1.516 0.475 0.295 0.875 0.438 CB 0.823 Z: 19 10.228 1.880 0.283 0.348 0.944 0.611 CA 1.249 19 residues pruned to eliminate duplicates Z: 13 15.774 1.850 0.987 0.813 0.917 0.500 CB 1.029 13 residues pruned to eliminate duplicates Z: 14 14.751 1.764 0.443 0.818 1.000 0.769 CA 1.219 14 residues pruned to eliminate duplicates Z: 35 16.377 1.880 0.518 0.426 0.912 0.559 CB 1.165 42 residues pruned to eliminate duplicates Z: 14 19.419 1.756 0.687 0.834 1.000 0.769 CB 1.363 13 residues pruned to eliminate duplicates Z: 7 7.072 1.804 0.672 0.471 0.833 0.333 CB 1.183 Z: 14 11.119 1.727 0.551 0.555 0.846 0.385 CB 1.290 13 residues pruned to eliminate duplicates Z: 41 23.348 1.903 0.365 0.698 0.900 0.725 CB 1.318 41 residues pruned to eliminate duplicates Z: 14 15.411 1.852 0.415 0.869 0.923 0.769 CA 1.290 14 residues pruned to eliminate duplicates Z: 12 19.117 1.988 0.780 0.923 1.000 0.727 CB 1.144 12 residues pruned to eliminate duplicates Z: 15 17.747 1.677 0.728 0.751 0.929 0.429 CB 1.409 14 residues pruned to eliminate duplicates Z: 40 28.773 1.994 0.674 0.555 0.923 0.667 CA 1.417 40 residues pruned to eliminate duplicates Z: 14 20.230 1.785 1.061 0.858 1.000 0.769 CB 1.123 14 residues pruned to eliminate duplicates Z: 39 26.909 2.018 0.621 0.578 0.895 0.579 CB 1.383 39 residues pruned to eliminate duplicates Z: 11 8.468 1.773 0.575 0.420 0.800 0.300 CA 1.304 Z: 24 33.390 2.056 0.732 0.874 1.000 0.826 CA 1.423 24 residues pruned to eliminate duplicates Z: 22 19.012 1.894 0.669 0.666 0.952 0.619 CB 1.182 22 residues pruned to eliminate duplicates Z: 20 15.992 1.807 0.553 0.533 1.000 0.474 CA 1.265 20 residues pruned to eliminate duplicates Z: 40 21.623 1.895 0.647 0.584 0.923 0.513 CB 1.109 35 residues pruned to eliminate duplicates Z: 10 4.069 1.552 0.488 0.315 0.778 0.444 CA 0.927 Z: 20 10.797 1.741 0.269 0.603 0.842 0.632 CB 1.207 20 residues pruned to eliminate duplicates Z: 20 11.366 1.968 0.621 0.283 0.842 0.526 CB 1.240 20 residues pruned to eliminate duplicates Z: 14 18.545 1.867 0.654 0.836 0.923 0.923 CA 1.350 14 residues pruned to eliminate duplicates Z: 23 28.107 1.910 0.847 0.904 1.000 0.727 CB 1.210 22 residues pruned to eliminate duplicates Z: 13 30.956 2.094 1.281 0.894 1.000 0.750 CA 1.342 13 residues pruned to eliminate duplicates Z: 16 14.586 1.706 0.684 0.786 0.867 0.667 CA 1.176 16 residues pruned to eliminate duplicates Z: 41 19.567 1.793 0.512 0.439 0.925 0.625 CB 1.315 40 residues pruned to eliminate duplicates Z: 7 9.229 1.653 0.904 0.470 0.833 0.667 C 1.480 Z: 22 22.591 1.940 0.726 0.839 0.857 0.762 CB 1.282 22 residues pruned to eliminate duplicates Z: 8 3.180 1.433 0.706 0.456 0.714 0.571 CB 0.720 8 residues pruned to eliminate duplicates Z: 39 27.358 1.909 0.742 0.617 0.947 0.711 CB 1.262 38 residues pruned to eliminate duplicates Z: 42 17.470 1.799 0.395 0.502 0.878 0.415 CB 1.235 87 residues pruned to eliminate duplicates Z: 28 23.323 1.999 0.607 0.582 0.963 0.630 CB 1.342 6 residues pruned to eliminate duplicates Z: 65 26.141 1.885 0.609 0.467 0.875 0.562 CB 1.274 58 residues pruned to eliminate duplicates Z: 7 7.607 1.728 0.197 0.750 1.000 0.667 CA 1.201 7 residues pruned to eliminate duplicates Z: 34 16.375 1.772 0.503 0.420 0.909 0.485 CB 1.279 34 residues pruned to eliminate duplicates Z: 38 27.381 1.931 0.828 0.592 0.838 0.676 CB 1.393 64 residues pruned to eliminate duplicates Z: 28 15.269 1.966 0.544 0.552 0.889 0.444 CB 1.035 28 residues pruned to eliminate duplicates Z: 22 21.223 1.934 0.610 0.866 0.857 0.762 CA 1.270 22 residues pruned to eliminate duplicates Z: 6 2.524 1.546 0.016 0.659 0.600 0.400 CB 1.033 6 residues pruned to eliminate duplicates Z: 13 15.563 1.797 0.521 0.857 0.917 0.750 CB 1.322 13 residues pruned to eliminate duplicates Z: 23 26.709 1.963 0.716 0.876 1.000 0.909 CA 1.229 22 residues pruned to eliminate duplicates Z: 41 20.818 1.937 0.499 0.496 0.875 0.575 CB 1.301 32 residues pruned to eliminate duplicates Z: 7 2.941 1.416 -0.141 0.341 1.000 0.833 N 1.173 Z: 9 5.415 1.688 0.471 0.695 0.500 0.375 CB 1.290 Z: 35 20.864 1.910 0.544 0.576 0.912 0.676 CB 1.236 38 residues pruned to eliminate duplicates Z: 21 14.914 1.972 0.085 0.893 1.000 0.850 CA 1.119 21 residues pruned to eliminate duplicates Z: 24 19.115 1.904 0.525 0.670 0.870 0.609 CB 1.349 30 residues pruned to eliminate duplicates Z: 10 5.450 1.529 0.607 0.389 0.889 0.333 N 0.936 Z: 9 10.182 1.876 0.614 0.351 1.000 0.625 CB 1.397 Z: 8 3.761 1.540 0.372 0.336 0.857 0.286 CB 0.939 Z: 6 2.383 1.429 0.556 0.403 0.800 0.600 CB 0.663 Z: 13 15.769 1.930 0.550 0.824 1.000 0.667 CB 1.149 13 residues pruned to eliminate duplicates Z: 14 9.605 1.856 0.288 0.456 1.000 0.692 CB 1.166 14 residues pruned to eliminate duplicates Z: 7 3.940 1.779 0.048 0.436 0.833 0.667 CA 1.106 7 residues pruned to eliminate duplicates Z: 27 13.166 1.859 0.524 0.375 0.808 0.654 CB 1.289 27 residues pruned to eliminate duplicates Z: 23 36.391 2.064 0.842 0.912 1.000 0.818 CA 1.445 23 residues pruned to eliminate duplicates Z: 24 23.832 1.967 0.556 0.791 0.957 0.783 CA 1.314 24 residues pruned to eliminate duplicates Z: 6 7.178 1.567 0.351 0.836 1.000 0.800 N 1.135 6 residues pruned to eliminate duplicates Z: 36 29.277 1.961 0.695 0.555 0.971 0.629 CB 1.453 35 residues pruned to eliminate duplicates Z: 22 13.908 1.804 0.323 0.874 0.810 0.714 CA 1.144 22 residues pruned to eliminate duplicates Z: 16 10.623 1.836 0.867 0.311 0.800 0.400 CB 1.233 16 residues pruned to eliminate duplicates Z: 10 6.787 1.659 0.737 0.468 0.889 0.556 CB 0.912 7 residues pruned to eliminate duplicates Z: 8 7.292 1.513 0.563 0.772 0.857 0.714 CB 1.069 8 residues pruned to eliminate duplicates Z: 41 16.415 1.821 0.617 0.358 0.900 0.600 CB 1.142 28 residues pruned to eliminate duplicates Z: 12 27.806 2.117 1.214 0.919 1.000 1.000 CA 1.261 12 residues pruned to eliminate duplicates Z: 6 3.351 1.683 -0.089 0.610 1.000 0.600 CB 0.881 Z: 14 18.691 1.898 0.640 0.809 1.000 0.846 CA 1.272 14 residues pruned to eliminate duplicates Z: 19 8.750 1.788 0.499 0.315 0.833 0.556 CB 1.133 19 residues pruned to eliminate duplicates Z: 36 20.691 1.906 0.599 0.474 0.943 0.657 CB 1.250 36 residues pruned to eliminate duplicates Z: 12 12.168 1.659 0.448 0.797 1.000 0.727 CA 1.177 12 residues pruned to eliminate duplicates Z: 22 19.379 1.915 0.511 0.851 1.000 0.857 CA 1.081 22 residues pruned to eliminate duplicates Z: 24 10.923 1.729 0.563 0.411 0.783 0.478 CB 1.182 24 residues pruned to eliminate duplicates Z: 12 19.148 1.893 1.225 0.926 1.000 0.636 CB 0.961 24 residues pruned to eliminate duplicates Z: 9 11.513 1.833 0.736 0.695 1.000 1.000 CA 1.070 9 residues pruned to eliminate duplicates Z: 24 29.325 1.919 0.730 0.885 1.000 0.870 CB 1.330 24 residues pruned to eliminate duplicates Z: 8 3.237 1.523 1.074 0.288 0.714 0.714 CB 0.688 Z: 35 17.698 1.865 0.336 0.511 0.941 0.647 CB 1.280 35 residues pruned to eliminate duplicates Z: 36 18.805 1.850 0.629 0.392 0.943 0.543 CB 1.255 36 residues pruned to eliminate duplicates Z: 7 4.704 1.876 0.023 0.748 0.833 0.667 CB 0.962 Z: 8 3.772 1.520 0.387 0.443 0.857 0.286 CB 0.837 Z: 14 13.087 1.784 0.778 0.505 1.000 0.692 CB 1.138 14 residues pruned to eliminate duplicates Z: 23 28.463 1.898 1.098 0.866 1.000 0.500 CB 1.115 23 residues pruned to eliminate duplicates Z: 10 9.413 1.772 0.198 0.904 1.000 0.889 CB 1.053 10 residues pruned to eliminate duplicates Z: 12 16.495 1.739 1.256 0.860 1.000 0.818 CB 0.932 12 residues pruned to eliminate duplicates Z: 39 16.982 1.848 0.358 0.429 0.921 0.579 CB 1.284 39 residues pruned to eliminate duplicates Z: 11 12.890 1.646 0.435 0.803 1.000 0.800 CB 1.324 12 residues pruned to eliminate duplicates Z: 15 10.201 1.742 0.392 0.598 0.929 0.643 CB 1.103 15 residues pruned to eliminate duplicates Z: 9 12.549 1.946 0.443 0.701 1.000 0.625 CA 1.315 7 residues pruned to eliminate duplicates Z: 13 5.996 1.824 0.183 0.344 0.833 0.583 CB 1.140 13 residues pruned to eliminate duplicates Z: 7 2.863 1.541 0.563 0.590 0.833 0.833 CB 0.534 Z: 23 33.944 2.046 0.726 0.869 1.000 0.773 CA 1.497 23 residues pruned to eliminate duplicates Z: 14 13.153 1.730 0.539 0.858 1.000 0.923 CB 1.010 14 residues pruned to eliminate duplicates Z: 23 24.705 1.894 0.722 0.856 0.955 0.727 CA 1.248 23 residues pruned to eliminate duplicates Z: 11 3.687 1.707 -0.081 0.410 0.800 0.500 N 1.022 9 residues pruned to eliminate duplicates Z: 19 10.722 1.727 0.497 0.409 0.944 0.333 CB 1.138 18 residues pruned to eliminate duplicates Z: 12 15.850 2.006 0.601 0.808 0.909 0.455 CB 1.251 12 residues pruned to eliminate duplicates Z: 20 11.937 1.799 0.320 0.662 0.895 0.632 CB 1.108 20 residues pruned to eliminate duplicates Z: 42 36.892 2.078 0.861 0.520 0.927 0.585 CB 1.576 48 residues pruned to eliminate duplicates Z: 23 31.217 1.964 0.854 0.877 1.000 0.682 CA 1.328 23 residues pruned to eliminate duplicates Z: 42 21.312 1.945 0.697 0.432 0.878 0.488 CB 1.232 21 residues pruned to eliminate duplicates Z: 37 19.931 1.928 0.696 0.402 0.917 0.583 CB 1.229 16 residues pruned to eliminate duplicates Z: 14 15.134 1.844 0.620 0.800 0.846 0.692 CB 1.277 14 residues pruned to eliminate duplicates Z: 13 12.902 1.770 0.511 0.846 0.917 0.750 CB 1.129 13 residues pruned to eliminate duplicates Z: 31 27.427 2.013 0.879 0.638 0.900 0.633 CA 1.292 28 residues pruned to eliminate duplicates Z: 9 10.221 1.429 0.822 0.761 1.000 0.750 N 1.100 Z: 10 7.440 1.796 0.472 0.802 0.778 0.667 CB 0.926 10 residues pruned to eliminate duplicates Z: 12 20.756 1.986 0.659 0.905 1.000 0.909 CB 1.353 12 residues pruned to eliminate duplicates Z: 6 5.810 1.731 0.020 0.824 0.800 0.400 CA 1.389 6 residues pruned to eliminate duplicates Z: 7 4.627 1.812 0.032 0.378 0.833 0.500 CB 1.380 Z: 8 3.540 1.479 0.206 0.422 0.714 0.286 O 1.138 8 residues pruned to eliminate duplicates Z: 9 12.249 1.954 0.477 0.642 1.000 0.625 CA 1.314 9 residues pruned to eliminate duplicates Z: 42 34.985 2.021 0.775 0.537 0.976 0.585 CB 1.505 40 residues pruned to eliminate duplicates Z: 12 13.559 1.937 0.351 0.846 1.000 1.000 CA 1.161 12 residues pruned to eliminate duplicates Z: 20 17.642 1.907 0.788 0.477 0.842 0.368 CB 1.442 20 residues pruned to eliminate duplicates Z: 6 6.809 1.861 0.661 0.418 1.000 0.800 CB 1.073 Z: 8 6.981 1.698 0.365 0.822 1.000 0.857 CB 0.861 8 residues pruned to eliminate duplicates Z: 22 19.802 1.845 0.408 0.909 1.000 0.952 CA 1.180 22 residues pruned to eliminate duplicates Z: 13 17.923 1.892 0.428 0.887 1.000 0.750 CA 1.381 13 residues pruned to eliminate duplicates Z: 13 13.592 1.875 0.293 0.903 1.000 0.917 CB 1.153 13 residues pruned to eliminate duplicates Z: 32 16.335 1.848 0.509 0.495 0.806 0.484 CB 1.311 32 residues pruned to eliminate duplicates Z: 12 15.513 1.930 0.601 0.842 0.909 0.727 CB 1.241 12 residues pruned to eliminate duplicates Z: 25 18.348 1.921 0.767 0.337 0.958 0.375 CB 1.376 24 residues pruned to eliminate duplicates Z: 37 28.187 1.998 0.593 0.622 0.944 0.639 CB 1.393 37 residues pruned to eliminate duplicates 6 1.744 1.113 0.384 0.406 0.800 0.600 C 0.698 ? Z: 13 6.865 1.834 -0.007 0.556 0.833 0.583 CB 1.236 13 residues pruned to eliminate duplicates Z: 22 26.332 1.905 0.710 0.866 0.952 0.667 CB 1.356 22 residues pruned to eliminate duplicates 6 1.839 1.404 0.422 0.293 0.600 0.400 N 0.866 ? Z: 54 25.380 1.833 0.560 0.599 0.962 0.585 CB 1.153 33 residues pruned to eliminate duplicates Z: 7 5.242 1.827 0.099 0.210 1.000 0.333 CB 1.502 7 residues pruned to eliminate duplicates Z: 9 3.167 1.551 0.373 0.476 0.875 0.500 CB 0.616 8 residues pruned to eliminate duplicates Z: 10 6.950 1.858 0.482 0.354 0.778 0.667 CB 1.267 10 residues pruned to eliminate duplicates Z: 6 6.460 1.624 0.844 0.690 0.600 0.400 O 1.350 6 residues pruned to eliminate duplicates Z: 10 3.726 1.414 0.626 0.189 0.889 0.444 N 0.882 Z: 23 29.235 2.031 0.710 0.875 0.955 0.727 CA 1.367 23 residues pruned to eliminate duplicates Z: 11 11.941 1.724 0.537 0.747 0.900 0.600 CB 1.269 11 residues pruned to eliminate duplicates Z: 31 24.840 1.987 0.557 0.629 0.933 0.633 CB 1.391 31 residues pruned to eliminate duplicates Z: 46 29.725 2.016 0.611 0.566 0.933 0.667 CB 1.372 46 residues pruned to eliminate duplicates Z: 12 9.249 1.875 0.493 0.622 1.000 0.636 CB 0.888 12 residues pruned to eliminate duplicates Z: 14 20.314 1.900 0.830 0.850 1.000 0.692 CA 1.201 14 residues pruned to eliminate duplicates Z: 22 27.551 2.045 0.828 0.850 0.810 0.476 CB 1.471 22 residues pruned to eliminate duplicates Z: 7 5.751 1.306 0.791 0.680 1.000 0.667 CB 0.850 7 residues pruned to eliminate duplicates Z: 52 34.349 1.927 0.736 0.650 0.980 0.667 CB 1.275 46 residues pruned to eliminate duplicates Z: 22 34.654 2.038 0.993 0.883 0.952 0.714 CA 1.414 22 residues pruned to eliminate duplicates Z: 23 30.513 1.987 0.866 0.894 1.000 0.864 CA 1.259 23 residues pruned to eliminate duplicates Z: 19 13.161 1.835 0.396 0.501 0.944 0.556 CB 1.280 19 residues pruned to eliminate duplicates Z: 38 30.946 1.970 0.740 0.660 0.973 0.676 CB 1.315 38 residues pruned to eliminate duplicates Z: 15 9.938 1.862 0.637 0.381 0.786 0.500 CB 1.258 15 residues pruned to eliminate duplicates Z: 13 10.116 1.625 0.737 0.505 0.833 0.750 CA 1.235 13 residues pruned to eliminate duplicates Z: 22 21.222 1.960 0.330 0.905 1.000 0.905 CA 1.264 22 residues pruned to eliminate duplicates Z: 8 12.688 1.714 0.889 0.781 0.857 0.429 CA 1.350 9 residues pruned to eliminate duplicates Z: 6 5.754 1.574 0.806 0.657 0.800 0.400 CA 0.978 Z: 7 6.013 1.720 0.193 0.787 1.000 1.000 CB 0.930 Z: 12 20.965 1.986 0.952 0.905 1.000 0.818 CB 1.161 12 residues pruned to eliminate duplicates Z: 23 10.664 1.810 0.453 0.264 0.864 0.455 CA 1.310 23 residues pruned to eliminate duplicates Z: 7 6.455 1.508 0.263 0.800 1.000 0.500 CB 1.065 8 residues pruned to eliminate duplicates Z: 11 3.970 1.555 0.906 0.264 0.600 0.500 CB 0.924 Z: 42 26.553 1.945 0.432 0.710 0.976 0.756 CA 1.261 42 residues pruned to eliminate duplicates Z: 47 20.626 1.789 0.647 0.404 0.935 0.478 CB 1.221 47 residues pruned to eliminate duplicates Z: 13 12.844 1.923 0.197 0.843 1.000 0.750 CA 1.199 13 residues pruned to eliminate duplicates Z: 16 8.115 1.771 0.395 0.449 0.867 0.533 CA 1.031 16 residues pruned to eliminate duplicates Z: 39 28.729 2.053 0.804 0.529 0.895 0.684 CA 1.368 39 residues pruned to eliminate duplicates Z: 25 18.413 1.976 0.415 0.509 0.917 0.583 CB 1.453 25 residues pruned to eliminate duplicates Z: 45 36.607 1.998 0.727 0.660 0.977 0.705 CA 1.410 45 residues pruned to eliminate duplicates Z: 7 4.653 1.930 0.244 0.475 1.000 0.833 CB 0.811 6 residues pruned to eliminate duplicates Z: 13 22.702 1.849 1.011 0.878 1.000 0.500 CB 1.279 13 residues pruned to eliminate duplicates Z: 45 29.519 2.008 0.568 0.519 0.955 0.545 CB 1.453 45 residues pruned to eliminate duplicates Z: 7 5.587 1.909 0.381 0.842 1.000 0.500 CB 0.644 Z: 27 13.399 1.888 0.474 0.409 0.885 0.769 CB 1.175 27 residues pruned to eliminate duplicates Z: 30 12.677 1.727 0.581 0.408 0.862 0.552 CB 1.101 30 residues pruned to eliminate duplicates Z: 40 32.865 2.033 0.853 0.439 0.974 0.538 CB 1.527 41 residues pruned to eliminate duplicates Z: 51 28.534 1.908 0.783 0.626 0.900 0.540 CB 1.170 47 residues pruned to eliminate duplicates Z: 13 31.552 2.124 1.355 0.901 1.000 1.000 CA 1.299 13 residues pruned to eliminate duplicates Z: 32 11.626 1.734 0.306 0.374 0.935 0.742 CB 1.128 27 residues pruned to eliminate duplicates Z: 122 38.194 1.890 0.580 0.508 0.884 0.579 CB 1.305 127 residues pruned to eliminate duplicates Z: 13 8.771 1.702 0.189 0.614 1.000 0.417 CA 1.123 13 residues pruned to eliminate duplicates 7 1.666 1.529 0.399 0.413 0.500 0.333 CB 0.696 ? Z: 6 4.750 1.817 -0.153 0.836 1.000 1.000 CB 1.033 6 residues pruned to eliminate duplicates Z: 21 15.725 1.882 0.217 0.899 1.000 0.850 CA 1.097 21 residues pruned to eliminate duplicates Z: 13 9.235 1.776 0.412 0.603 0.833 0.500 CA 1.157 13 residues pruned to eliminate duplicates Z: 14 20.945 1.932 0.961 0.841 0.923 0.769 CA 1.238 14 residues pruned to eliminate duplicates Z: 13 8.521 1.792 0.702 0.755 0.750 0.583 CB 0.857 13 residues pruned to eliminate duplicates Z: 25 12.847 1.844 0.435 0.457 0.875 0.667 CB 1.183 25 residues pruned to eliminate duplicates Z: 13 12.108 1.798 0.292 0.921 1.000 0.917 CB 1.059 20 residues pruned to eliminate duplicates Z: 12 13.035 1.711 0.423 0.851 0.909 0.818 CA 1.314 12 residues pruned to eliminate duplicates Z: 12 6.549 1.281 0.518 0.517 1.000 0.273 C 0.999 Z: 8 4.947 1.653 0.646 0.595 0.714 0.714 CB 0.878 Z: 11 21.258 1.964 0.978 0.907 1.000 0.900 CA 1.230 11 residues pruned to eliminate duplicates Z: 7 8.459 1.808 0.151 0.847 1.000 0.667 CA 1.233 7 residues pruned to eliminate duplicates Z: 41 22.890 1.994 0.541 0.508 0.875 0.625 CB 1.336 41 residues pruned to eliminate duplicates Z: 10 16.397 1.969 0.943 0.670 0.889 0.889 CB 1.374 10 residues pruned to eliminate duplicates Z: 96 43.783 1.988 0.692 0.617 0.937 0.695 CB 1.276 92 residues pruned to eliminate duplicates Z: 8 8.349 1.659 0.392 0.814 1.000 0.714 CB 1.041 8 residues pruned to eliminate duplicates Z: 14 9.350 1.848 0.434 0.479 0.923 0.308 CB 1.083 14 residues pruned to eliminate duplicates Z: 7 7.558 1.769 0.188 0.826 1.000 0.667 CB 1.108 7 residues pruned to eliminate duplicates Z: 20 11.702 1.837 0.496 0.526 0.842 0.526 CB 1.131 25 residues pruned to eliminate duplicates Z: 6 3.869 1.480 0.565 0.365 0.800 0.200 CB 1.079 Z: 16 16.408 1.699 0.739 0.869 1.000 0.600 CB 1.047 16 residues pruned to eliminate duplicates Z: 7 5.657 1.570 0.313 0.663 1.000 0.333 CA 0.963 7 residues pruned to eliminate duplicates Z: 6 5.834 1.442 0.326 0.801 1.000 1.000 CA 1.049 6 residues pruned to eliminate duplicates Z: 37 18.852 1.854 0.648 0.390 0.944 0.500 CB 1.223 39 residues pruned to eliminate duplicates Z: 14 12.027 1.752 0.470 0.578 1.000 0.769 CB 1.201 14 residues pruned to eliminate duplicates Z: 30 23.757 2.001 0.644 0.467 0.931 0.517 CB 1.489 30 residues pruned to eliminate duplicates Z: 33 15.454 1.716 0.593 0.431 0.875 0.531 CA 1.227 33 residues pruned to eliminate duplicates Z: 10 6.665 1.630 0.732 0.698 0.778 0.556 CB 0.844 Z: 11 5.506 1.735 0.434 0.657 0.900 0.600 CB 0.672 11 residues pruned to eliminate duplicates Z: 16 16.967 1.836 0.666 0.538 0.933 0.533 CA 1.479 16 residues pruned to eliminate duplicates Z: 12 14.115 1.850 0.770 0.881 0.818 0.545 CB 1.150 12 residues pruned to eliminate duplicates Z: 11 9.291 1.504 0.458 0.873 1.000 1.000 CB 0.976 11 residues pruned to eliminate duplicates Z: 6 8.976 1.762 0.322 0.841 1.000 0.600 CA 1.286 6 residues pruned to eliminate duplicates Z: 42 28.056 2.003 0.878 0.461 0.902 0.488 CB 1.343 42 residues pruned to eliminate duplicates 7 1.774 1.698 0.348 0.202 0.500 0.333 CA 0.902 ? Z: 30 18.561 1.860 0.704 0.516 0.897 0.414 CB 1.193 30 residues pruned to eliminate duplicates Z: 10 3.155 1.540 0.770 0.183 0.556 0.333 CA 1.017 10 residues pruned to eliminate duplicates Z: 37 22.573 1.933 0.494 0.574 0.917 0.722 CB 1.323 37 residues pruned to eliminate duplicates Z: 9 9.220 1.770 0.378 0.527 1.000 0.375 CB 1.302 9 residues pruned to eliminate duplicates Z: 10 18.581 1.910 0.993 0.888 1.000 0.778 CB 1.172 10 residues pruned to eliminate duplicates Z: 10 9.967 1.781 0.271 0.775 1.000 0.556 CB 1.151 10 residues pruned to eliminate duplicates Z: 13 7.362 1.622 0.253 0.646 0.917 0.583 CB 0.995 13 residues pruned to eliminate duplicates Z: 16 11.238 1.753 0.281 0.626 0.867 0.467 CB 1.323 16 residues pruned to eliminate duplicates Z: 35 20.879 1.870 0.688 0.503 0.882 0.618 CB 1.282 35 residues pruned to eliminate duplicates Z: 11 8.198 1.635 0.564 0.667 0.800 0.600 CB 1.087 11 residues pruned to eliminate duplicates Z: 7 4.182 1.404 0.930 0.553 0.500 0.167 O 1.196 7 residues pruned to eliminate duplicates Z: 17 12.156 1.805 0.444 0.371 0.938 0.375 CA 1.428 17 residues pruned to eliminate duplicates Z: 7 6.571 1.800 0.367 0.548 0.833 0.667 CB 1.248 Z: 43 18.859 1.798 0.371 0.534 0.929 0.548 CB 1.230 43 residues pruned to eliminate duplicates Z: 46 25.800 1.951 0.525 0.527 0.956 0.622 CB 1.317 88 residues pruned to eliminate duplicates Z: 13 16.717 1.856 0.689 0.894 1.000 0.750 CA 1.104 13 residues pruned to eliminate duplicates Z: 37 24.214 1.877 0.469 0.650 0.972 0.667 CA 1.309 37 residues pruned to eliminate duplicates Z: 12 9.712 1.722 0.843 0.440 0.909 0.545 CB 1.080 Z: 55 24.224 1.848 0.457 0.622 0.963 0.741 CB 1.133 55 residues pruned to eliminate duplicates Z: 15 11.826 1.799 0.454 0.746 0.929 0.786 CA 1.044 Z: 8 4.481 1.640 0.524 0.421 1.000 0.429 CB 0.736 Z: 12 6.644 1.543 0.638 0.529 0.727 0.636 CB 1.059 12 residues pruned to eliminate duplicates Z: 6 8.378 1.534 0.928 0.784 0.800 0.600 CA 1.234 4 residues pruned to eliminate duplicates Z: 34 30.128 2.008 1.052 0.535 0.879 0.485 CB 1.399 34 residues pruned to eliminate duplicates Z: 42 38.126 2.107 0.912 0.468 0.951 0.561 CB 1.606 39 residues pruned to eliminate duplicates Z: 6 7.608 1.493 0.441 0.815 1.000 0.800 C 1.203 6 residues pruned to eliminate duplicates Z: 84 35.906 1.998 0.729 0.446 0.867 0.530 CB 1.390 64 residues pruned to eliminate duplicates Z: 12 17.754 1.895 1.046 0.851 0.909 0.545 CB 1.124 12 residues pruned to eliminate duplicates Z: 37 14.238 1.773 0.393 0.398 0.889 0.472 CB 1.203 37 residues pruned to eliminate duplicates Z: 25 13.668 1.716 0.471 0.442 0.917 0.458 CB 1.280 25 residues pruned to eliminate duplicates Z: 12 16.428 1.963 0.380 0.870 1.000 0.909 CA 1.335 12 residues pruned to eliminate duplicates Z: 9 10.417 1.937 0.432 0.626 1.000 0.750 CA 1.179 9 residues pruned to eliminate duplicates Z: 22 23.767 2.015 0.467 0.867 1.000 0.905 CA 1.283 22 residues pruned to eliminate duplicates Z: 8 4.033 1.606 0.839 0.476 0.714 0.571 CB 0.740 Z: 6 4.259 1.571 0.116 0.562 0.800 0.600 O 1.278 Z: 24 21.434 1.937 0.401 0.860 1.000 0.826 CA 1.211 24 residues pruned to eliminate duplicates Z: 6 3.863 1.377 0.228 0.712 0.800 0.600 CA 1.054 Z: 15 7.717 1.814 0.312 0.315 0.929 0.429 CB 1.146 15 residues pruned to eliminate duplicates Z: 23 27.316 2.051 0.570 0.847 0.955 0.773 CA 1.407 23 residues pruned to eliminate duplicates Z: 12 12.216 1.837 0.262 0.856 0.909 0.727 CA 1.289 12 residues pruned to eliminate duplicates Z: 12 8.833 1.904 0.220 0.669 0.909 0.636 CB 1.079 12 residues pruned to eliminate duplicates Z: 6 3.058 1.638 0.036 0.340 0.800 0.200 CB 1.200 Z: 11 11.320 1.620 0.748 0.862 0.900 0.700 CB 1.031 11 residues pruned to eliminate duplicates Z: 43 32.893 2.065 0.774 0.495 0.929 0.619 CB 1.500 43 residues pruned to eliminate duplicates Z: 17 7.329 1.701 0.286 0.405 0.750 0.625 CB 1.234 26 residues pruned to eliminate duplicates Z: 7 4.698 1.673 0.142 0.614 1.000 0.667 CA 0.902 7 residues pruned to eliminate duplicates Z: 11 5.485 1.692 0.222 0.486 0.800 0.500 CB 1.063 11 residues pruned to eliminate duplicates Z: 25 18.712 1.900 0.696 0.703 0.833 0.625 CB 1.182 25 residues pruned to eliminate duplicates Z: 12 10.741 1.508 0.475 0.803 0.909 0.636 CB 1.229 12 residues pruned to eliminate duplicates Z: 9 12.283 1.663 0.312 0.903 1.000 0.875 O 1.419 9 residues pruned to eliminate duplicates Z: 30 23.534 1.917 0.733 0.592 0.931 0.621 CB 1.294 30 residues pruned to eliminate duplicates Z: 8 7.552 1.583 0.555 0.680 0.857 0.571 N 1.146 8 residues pruned to eliminate duplicates Z: 7 9.656 1.522 0.919 0.805 1.000 0.667 CA 1.035 7 residues pruned to eliminate duplicates Z: 26 13.185 1.866 0.668 0.396 0.760 0.440 CB 1.243 26 residues pruned to eliminate duplicates Z: 23 10.763 1.822 0.795 0.297 0.773 0.364 CB 1.139 23 residues pruned to eliminate duplicates Z: 10 7.872 1.625 0.803 0.392 0.778 0.444 CB 1.291 10 residues pruned to eliminate duplicates Z: 8 4.170 1.780 0.201 0.395 0.857 0.571 CA 0.961 8 residues pruned to eliminate duplicates Z: 6 5.270 1.567 0.871 0.469 1.000 0.800 CB 0.830 6 residues pruned to eliminate duplicates Z: 6 2.684 1.575 0.631 0.386 0.800 0.800 N 0.660 6 residues pruned to eliminate duplicates Z: 38 26.660 2.005 0.635 0.550 0.919 0.757 CB 1.386 38 residues pruned to eliminate duplicates Z: 39 22.961 1.864 0.746 0.559 0.947 0.526 CB 1.140 39 residues pruned to eliminate duplicates Z: 43 30.627 1.992 0.856 0.555 0.905 0.643 CB 1.339 44 residues pruned to eliminate duplicates Z: 58 22.383 1.726 0.374 0.568 0.947 0.667 CB 1.235 58 residues pruned to eliminate duplicates Z: 44 31.717 2.028 0.904 0.451 0.930 0.488 CB 1.417 42 residues pruned to eliminate duplicates Z: 28 12.673 1.858 0.418 0.408 0.889 0.481 CB 1.147 28 residues pruned to eliminate duplicates Z: 77 30.048 1.841 0.444 0.621 0.934 0.605 CB 1.238 61 residues pruned to eliminate duplicates Z: 20 12.505 1.899 0.551 0.459 0.737 0.421 CB 1.379 20 residues pruned to eliminate duplicates Z: 38 23.449 1.908 0.590 0.577 0.919 0.541 CB 1.284 38 residues pruned to eliminate duplicates Z: 10 3.746 1.589 0.477 0.166 0.667 0.333 CA 1.198 10 residues pruned to eliminate duplicates Z: 41 25.442 1.883 0.587 0.553 0.925 0.675 CB 1.382 39 residues pruned to eliminate duplicates 7 1.083 1.638 0.273 0.348 0.500 0.500 CB 0.500 ? Z: 22 14.261 1.900 0.613 0.436 0.857 0.667 CB 1.266 22 residues pruned to eliminate duplicates Z: 15 10.382 1.662 0.415 0.607 0.929 0.643 CB 1.148 15 residues pruned to eliminate duplicates Z: 7 4.767 1.881 0.605 0.707 1.000 0.833 CB 0.534 Z: 9 3.185 1.497 0.355 0.447 0.750 0.500 CB 0.782 7 residues pruned to eliminate duplicates Z: 34 24.047 1.944 0.521 0.700 0.939 0.727 CA 1.257 34 residues pruned to eliminate duplicates Z: 38 21.659 1.895 0.589 0.547 0.892 0.730 CB 1.266 38 residues pruned to eliminate duplicates Z: 11 12.976 1.737 0.356 0.869 1.000 0.900 CB 1.272 Z: 8 2.637 1.563 -0.016 0.434 0.714 0.429 CB 0.971 5 residues pruned to eliminate duplicates Z: 6 6.838 1.491 0.502 0.877 1.000 1.000 CA 0.991 6 residues pruned to eliminate duplicates Z: 22 21.444 1.885 0.443 0.906 1.000 0.905 CA 1.224 22 residues pruned to eliminate duplicates Z: 12 16.136 1.799 0.970 0.846 0.818 0.455 CB 1.247 12 residues pruned to eliminate duplicates Z: 13 23.981 2.002 0.845 0.919 1.000 0.917 CA 1.320 13 residues pruned to eliminate duplicates Z: 6 2.253 1.480 0.351 0.449 1.000 0.400 CB 0.531 Z: 10 5.951 1.666 0.247 0.580 0.778 0.556 CB 1.137 10 residues pruned to eliminate duplicates 6 1.256 1.535 0.310 0.449 0.800 0.600 N 0.368 ? Z: 21 18.261 1.821 0.330 0.921 1.000 0.950 CA 1.187 21 residues pruned to eliminate duplicates Z: 34 18.704 1.829 0.659 0.474 0.848 0.515 CB 1.298 34 residues pruned to eliminate duplicates Z: 11 18.724 1.949 0.651 0.854 1.000 1.000 CA 1.359 11 residues pruned to eliminate duplicates Z: 13 5.744 1.801 0.449 0.400 0.750 0.333 CB 0.940 11 residues pruned to eliminate duplicates Z: 30 12.161 1.818 0.399 0.399 0.828 0.414 CB 1.193 30 residues pruned to eliminate duplicates Z: 38 27.447 1.980 0.833 0.536 0.919 0.622 CA 1.306 38 residues pruned to eliminate duplicates Z: 38 17.244 1.788 0.464 0.518 0.838 0.649 CB 1.270 38 residues pruned to eliminate duplicates Z: 31 15.253 1.816 0.384 0.560 0.933 0.500 CB 1.120 31 residues pruned to eliminate duplicates Z: 11 13.884 1.657 0.745 0.905 0.900 0.400 CB 1.200 11 residues pruned to eliminate duplicates Z: 22 23.092 2.020 0.521 0.875 0.905 0.857 CB 1.318 22 residues pruned to eliminate duplicates Z: 28 16.623 1.894 0.593 0.408 0.889 0.444 CB 1.314 28 residues pruned to eliminate duplicates Z: 11 13.078 2.024 0.256 0.859 1.000 1.000 CA 1.197 11 residues pruned to eliminate duplicates Z: 12 9.313 1.717 0.455 0.554 0.909 0.636 CB 1.174 12 residues pruned to eliminate duplicates Z: 6 7.877 1.603 0.741 0.766 1.000 0.400 CB 0.997 6 residues pruned to eliminate duplicates Z: 42 27.044 1.994 0.687 0.547 0.927 0.756 CA 1.293 42 residues pruned to eliminate duplicates Z: 6 3.270 1.769 0.167 0.292 1.000 0.600 CB 0.895 Z: 13 7.458 1.737 0.399 0.497 0.833 0.583 CB 1.066 13 residues pruned to eliminate duplicates Z: 12 33.495 2.160 1.293 0.899 1.000 0.636 CA 1.457 12 residues pruned to eliminate duplicates Z: 7 10.595 1.608 0.601 0.900 1.000 1.000 CA 1.200 7 residues pruned to eliminate duplicates Z: 8 3.497 1.513 0.242 0.539 0.857 0.429 CB 0.790 Z: 12 9.089 1.435 0.507 0.837 0.909 0.727 CB 1.042 12 residues pruned to eliminate duplicates Z: 23 25.134 1.860 0.831 0.848 0.909 0.455 CB 1.283 23 residues pruned to eliminate duplicates Z: 6 2.260 1.165 0.473 0.752 0.800 0.600 CB 0.588 6 residues pruned to eliminate duplicates Z: 7 7.668 1.670 0.262 0.896 1.000 1.000 CB 1.064 7 residues pruned to eliminate duplicates Z: 12 10.956 1.585 0.646 0.796 0.818 0.545 CA 1.194 12 residues pruned to eliminate duplicates Z: 38 20.747 1.881 0.475 0.650 0.946 0.486 CB 1.131 38 residues pruned to eliminate duplicates Z: 9 3.223 1.695 0.095 0.234 0.750 0.250 CB 1.115 Z: 27 17.880 1.792 0.463 0.549 0.923 0.538 CA 1.382 27 residues pruned to eliminate duplicates Z: 6 6.920 1.713 0.471 0.589 1.000 1.000 CB 1.128 Z: 26 17.177 1.805 0.662 0.609 0.920 0.600 CB 1.123 27 residues pruned to eliminate duplicates Z: 10 4.106 1.536 0.101 0.353 0.778 0.667 CB 1.220 Z: 14 5.961 1.525 0.323 0.347 0.846 0.462 CA 1.144 14 residues pruned to eliminate duplicates Z: 11 19.120 1.859 0.959 0.857 0.900 0.700 CA 1.359 11 residues pruned to eliminate duplicates Z: 36 26.617 2.003 0.820 0.537 0.914 0.600 CB 1.301 36 residues pruned to eliminate duplicates Z: 34 24.580 1.962 0.679 0.680 0.970 0.636 CB 1.136 34 residues pruned to eliminate duplicates Z: 27 22.360 1.966 0.540 0.643 0.962 0.692 CA 1.318 27 residues pruned to eliminate duplicates Z: 40 20.437 1.858 0.607 0.375 0.897 0.590 CB 1.396 40 residues pruned to eliminate duplicates Z: 6 7.114 1.755 0.499 0.757 1.000 0.400 CB 0.962 6 residues pruned to eliminate duplicates Z: 12 10.852 1.879 0.559 0.442 0.818 0.455 CA 1.449 12 residues pruned to eliminate duplicates Z: 6 5.700 1.357 0.750 0.529 1.000 0.600 CA 1.044 6 residues pruned to eliminate duplicates Z: 6 2.487 1.782 0.517 0.645 1.000 1.000 CB 0.359 Z: 40 17.167 1.879 0.463 0.408 0.949 0.538 CB 1.161 40 residues pruned to eliminate duplicates Z: 26 16.584 1.806 0.542 0.553 0.840 0.640 CB 1.345 26 residues pruned to eliminate duplicates Z: 14 15.352 1.763 0.573 0.883 1.000 0.846 CB 1.110 14 residues pruned to eliminate duplicates Z: 12 6.795 1.772 0.351 0.285 0.909 0.545 CA 1.199 12 residues pruned to eliminate duplicates Z: 7 3.146 1.452 0.341 0.314 0.833 0.500 CA 0.972 Z: 19 12.015 1.723 0.560 0.474 0.889 0.556 CB 1.217 19 residues pruned to eliminate duplicates Z: 11 9.658 1.830 0.435 0.444 1.000 0.800 CA 1.231 11 residues pruned to eliminate duplicates Z: 8 4.069 1.588 0.425 0.471 0.714 0.571 CB 0.980 8 residues pruned to eliminate duplicates Z: 38 18.539 1.867 0.354 0.485 0.919 0.595 CA 1.332 48 residues pruned to eliminate duplicates Z: 6 4.282 1.820 -0.213 0.431 1.000 0.600 CB 1.437 6 residues pruned to eliminate duplicates Z: 23 24.080 1.972 0.608 0.748 0.955 0.727 CA 1.359 23 residues pruned to eliminate duplicates Z: 32 24.115 1.963 0.583 0.513 0.935 0.645 CB 1.471 33 residues pruned to eliminate duplicates Z: 11 7.455 1.623 0.786 0.880 1.000 0.900 CB 0.589 9 residues pruned to eliminate duplicates Z: 17 15.612 1.920 0.903 0.430 1.000 0.562 CB 1.149 17 residues pruned to eliminate duplicates Z: 42 28.347 1.932 0.729 0.504 0.951 0.512 CA 1.389 42 residues pruned to eliminate duplicates Z: 21 12.618 1.833 0.591 0.381 0.900 0.650 CB 1.220 21 residues pruned to eliminate duplicates Z: 37 19.745 1.834 0.651 0.576 0.917 0.639 CB 1.102 43 residues pruned to eliminate duplicates Z: 11 8.383 1.539 0.102 0.895 1.000 1.000 CB 1.120 11 residues pruned to eliminate duplicates Z: 32 26.301 1.886 0.940 0.634 0.903 0.677 CB 1.260 32 residues pruned to eliminate duplicates Z: 6 3.172 1.397 0.330 0.341 0.800 0.400 CB 1.135 Z: 22 9.786 1.796 0.263 0.408 0.857 0.667 CB 1.210 22 residues pruned to eliminate duplicates Z: 6 3.517 1.672 1.060 0.851 1.000 0.800 CB 0.338 6 residues pruned to eliminate duplicates Z: 7 2.065 1.379 0.689 0.233 0.667 0.500 CB 0.741 Z: 11 10.668 1.683 0.375 0.833 1.000 0.700 CB 1.094 11 residues pruned to eliminate duplicates Z: 28 21.421 1.793 0.453 0.669 0.926 0.815 CB 1.463 28 residues pruned to eliminate duplicates Z: 8 13.501 1.765 1.261 0.536 1.000 0.857 CA 1.234 8 residues pruned to eliminate duplicates Z: 29 20.981 1.886 0.558 0.568 0.964 0.429 CB 1.310 29 residues pruned to eliminate duplicates Z: 7 9.213 1.896 0.387 0.660 1.000 0.833 CB 1.234 8 residues pruned to eliminate duplicates Z: 7 7.086 1.735 0.511 0.462 1.000 1.000 CB 1.147 7 residues pruned to eliminate duplicates Z: 11 10.668 1.526 0.385 0.875 1.000 0.900 N 1.161 11 residues pruned to eliminate duplicates Z: 17 5.669 1.527 0.582 0.191 0.875 0.625 CB 0.971 Z: 13 16.686 1.847 0.887 0.903 0.917 0.667 CB 1.075 13 residues pruned to eliminate duplicates Z: 24 20.565 1.875 0.600 0.799 0.957 0.696 CB 1.150 24 residues pruned to eliminate duplicates Z: 11 9.675 1.537 0.426 0.779 0.900 0.600 CA 1.213 11 residues pruned to eliminate duplicates Z: 35 22.486 1.903 0.437 0.675 0.941 0.735 CA 1.275 35 residues pruned to eliminate duplicates Z: 30 17.612 1.943 0.529 0.558 0.828 0.655 CB 1.257 30 residues pruned to eliminate duplicates Z: 12 10.405 1.995 0.546 0.698 0.818 0.818 CB 1.038 12 residues pruned to eliminate duplicates Z: 6 6.916 1.591 0.476 0.747 0.800 0.600 CB 1.320 6 residues pruned to eliminate duplicates Z: 12 7.775 1.734 0.498 0.397 0.818 0.273 CA 1.229 12 residues pruned to eliminate duplicates Z: 25 30.043 2.071 0.741 0.646 0.958 0.750 CB 1.547 31 residues pruned to eliminate duplicates Z: 39 25.561 1.913 0.686 0.570 0.921 0.684 CB 1.305 41 residues pruned to eliminate duplicates Z: 15 5.549 1.569 1.038 0.339 0.786 0.357 CB 0.704 15 residues pruned to eliminate duplicates Z: 31 26.413 2.051 0.560 0.618 0.933 0.633 CB 1.445 31 residues pruned to eliminate duplicates Z: 13 13.100 1.764 0.697 0.714 0.917 0.667 CB 1.135 13 residues pruned to eliminate duplicates Z: 22 23.412 1.933 0.464 0.871 1.000 0.857 CB 1.316 22 residues pruned to eliminate duplicates Z: 7 3.063 1.717 0.492 0.243 0.667 0.500 CA 0.985 7 residues pruned to eliminate duplicates Z: 12 20.675 2.013 0.719 0.917 1.000 0.909 CB 1.272 12 residues pruned to eliminate duplicates Z: 37 26.484 1.963 0.674 0.641 0.944 0.583 CB 1.247 37 residues pruned to eliminate duplicates Z: 20 17.321 1.870 0.759 0.487 0.895 0.579 CA 1.368 24 residues pruned to eliminate duplicates 6 1.943 1.394 0.706 0.300 0.600 0.400 CB 0.762 ? Z: 22 23.685 1.995 0.918 0.584 0.857 0.714 CB 1.454 22 residues pruned to eliminate duplicates Z: 23 33.084 2.110 0.756 0.665 1.000 0.591 CA 1.633 23 residues pruned to eliminate duplicates Z: 27 15.290 1.792 0.654 0.450 0.846 0.577 CB 1.258 27 residues pruned to eliminate duplicates 6 1.979 1.118 0.841 0.488 0.600 0.600 N 0.726 ? Z: 22 23.084 1.923 0.581 0.844 0.952 0.762 CA 1.295 22 residues pruned to eliminate duplicates Z: 13 13.798 1.730 0.544 0.728 0.917 0.750 CB 1.325 13 residues pruned to eliminate duplicates Z: 8 6.986 1.772 0.571 0.779 0.857 0.429 CB 0.865 8 residues pruned to eliminate duplicates Z: 7 6.532 1.565 0.533 0.780 1.000 0.667 CB 0.868 7 residues pruned to eliminate duplicates Z: 28 20.170 1.882 0.554 0.471 0.963 0.667 CB 1.420 28 residues pruned to eliminate duplicates 6 0.908 1.411 0.124 0.661 0.800 0.600 CB 0.275 ? Z: 42 33.339 2.028 0.795 0.514 1.000 0.537 CB 1.410 41 residues pruned to eliminate duplicates Z: 25 31.640 2.067 1.106 0.604 0.917 0.500 CB 1.465 25 residues pruned to eliminate duplicates Z: 9 7.923 1.835 0.508 0.498 0.875 0.625 CA 1.159 9 residues pruned to eliminate duplicates Z: 23 22.228 1.921 0.323 0.882 1.000 0.773 CB 1.350 23 residues pruned to eliminate duplicates Z: 13 22.508 1.822 1.043 0.920 1.000 0.917 CB 1.229 13 residues pruned to eliminate duplicates Z: 6 3.443 1.463 0.341 0.548 0.800 0.800 CB 0.936 Z: 10 9.790 1.622 0.452 0.848 0.889 0.444 CB 1.156 10 residues pruned to eliminate duplicates Z: 8 15.286 1.803 1.134 0.854 0.857 0.571 CB 1.294 8 residues pruned to eliminate duplicates Z: 22 21.283 2.002 0.389 0.622 1.000 0.714 CA 1.489 22 residues pruned to eliminate duplicates Z: 12 4.364 1.705 0.267 0.287 0.818 0.545 CA 0.946 4 residues pruned to eliminate duplicates Z: 9 2.349 1.499 0.519 0.187 0.500 0.375 CA 1.061 Z: 10 11.097 1.648 0.626 0.785 1.000 0.556 CB 1.074 10 residues pruned to eliminate duplicates Z: 22 28.266 1.972 0.741 0.882 1.000 0.762 CB 1.300 25 residues pruned to eliminate duplicates Z: 23 21.399 1.991 0.466 0.858 0.955 0.909 CA 1.205 23 residues pruned to eliminate duplicates Z: 6 3.709 1.551 0.396 0.404 0.800 0.600 CB 1.059 Z: 6 6.646 1.584 0.476 0.554 1.000 0.600 N 1.206 6 residues pruned to eliminate duplicates Z: 34 19.456 1.795 0.577 0.598 0.909 0.455 CB 1.199 27 residues pruned to eliminate duplicates Z: 13 5.966 1.681 -0.124 0.609 0.917 0.333 CB 1.150 13 residues pruned to eliminate duplicates Z: 43 27.397 1.965 0.790 0.458 0.857 0.429 CB 1.463 43 residues pruned to eliminate duplicates Z: 16 11.805 1.760 0.537 0.696 0.800 0.667 CB 1.178 16 residues pruned to eliminate duplicates Z: 7 10.367 1.876 0.470 0.717 1.000 0.667 CA 1.261 7 residues pruned to eliminate duplicates 6 1.939 1.111 0.775 0.434 0.800 0.400 N 0.589 ? Z: 11 11.449 1.674 0.386 0.624 1.000 0.800 O 1.389 11 residues pruned to eliminate duplicates Z: 21 26.630 1.892 0.989 0.884 0.950 0.750 CA 1.204 21 residues pruned to eliminate duplicates Z: 12 5.773 1.669 0.280 0.382 0.727 0.545 N 1.270 12 residues pruned to eliminate duplicates Z: 40 36.622 2.074 0.965 0.557 0.949 0.564 CB 1.435 40 residues pruned to eliminate duplicates Z: 30 15.043 1.934 0.586 0.355 0.828 0.448 CB 1.287 32 residues pruned to eliminate duplicates Z: 6 4.134 1.805 0.305 0.587 1.000 0.600 CB 0.722 6 residues pruned to eliminate duplicates Z: 10 14.130 1.911 0.748 0.674 0.889 0.889 CA 1.352 10 residues pruned to eliminate duplicates Z: 13 12.236 1.704 0.989 0.454 0.833 0.500 CA 1.311 12 residues pruned to eliminate duplicates Z: 37 21.478 1.905 0.454 0.553 0.917 0.750 CB 1.339 37 residues pruned to eliminate duplicates Z: 7 4.280 1.371 0.201 0.859 1.000 0.833 CB 0.781 7 residues pruned to eliminate duplicates Z: 24 18.616 1.822 0.505 0.700 0.913 0.739 CB 1.292 24 residues pruned to eliminate duplicates Z: 6 2.049 1.548 0.182 0.355 0.800 0.400 N 0.732 Z: 17 15.868 1.909 0.521 0.831 1.000 0.625 CA 1.027 17 residues pruned to eliminate duplicates Z: 13 13.455 1.845 0.563 0.802 0.833 0.667 CB 1.241 13 residues pruned to eliminate duplicates Z: 38 30.423 2.049 0.710 0.570 0.973 0.676 CA 1.371 38 residues pruned to eliminate duplicates Z: 14 12.146 1.754 0.350 0.782 1.000 0.769 CA 1.110 14 residues pruned to eliminate duplicates Z: 12 11.507 1.915 0.560 0.452 0.909 0.364 CB 1.342 12 residues pruned to eliminate duplicates Z: 9 13.056 1.910 0.465 0.609 1.000 0.750 N 1.487 9 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 8 6.802 1.756 0.688 0.540 0.857 0.571 CB 0.973 9 residues pruned to eliminate duplicates Z: 10 12.116 1.742 0.246 0.906 1.000 0.778 CB 1.323 Z: 10 10.131 1.729 0.244 0.886 0.889 0.889 CB 1.274 10 residues pruned to eliminate duplicates Z: 10 9.915 1.583 0.209 0.795 1.000 0.889 N 1.334 10 residues pruned to eliminate duplicates Z: 11 9.458 1.691 0.114 0.787 1.000 0.800 CB 1.233 11 residues pruned to eliminate duplicates Z: 11 9.366 1.759 0.191 0.727 1.000 0.700 CB 1.152 11 residues pruned to eliminate duplicates Z: 15 9.233 1.561 0.575 0.505 0.929 0.429 CB 1.076 14 residues pruned to eliminate duplicates Z: 11 12.444 1.685 0.233 0.866 1.000 0.900 CB 1.387 11 residues pruned to eliminate duplicates Z: 11 14.323 1.681 0.519 0.840 1.000 0.900 CB 1.323 11 residues pruned to eliminate duplicates 6 1.827 1.516 0.288 0.326 0.600 0.200 CB 0.844 ? Z: 6 5.811 1.897 0.351 0.467 0.800 0.400 CA 1.309 6 residues pruned to eliminate duplicates Z: 29 15.383 1.870 0.320 0.511 0.893 0.429 CB 1.304 29 residues pruned to eliminate duplicates Z: 29 21.323 1.904 0.537 0.539 0.964 0.571 CB 1.374 29 residues pruned to eliminate duplicates Z: 16 23.072 1.933 0.634 0.783 1.000 0.467 CB 1.470 16 residues pruned to eliminate duplicates Z: 31 18.931 1.870 0.467 0.531 0.967 0.567 CB 1.264 31 residues pruned to eliminate duplicates Z: 30 18.655 1.894 0.381 0.531 0.931 0.655 CA 1.381 30 residues pruned to eliminate duplicates Z: 32 18.083 1.867 0.475 0.490 0.903 0.516 CB 1.318 30 residues pruned to eliminate duplicates Z: 12 18.046 1.923 0.649 0.865 0.909 0.545 CB 1.383 12 residues pruned to eliminate duplicates Z: 30 20.037 1.873 0.456 0.518 0.966 0.483 CB 1.388 30 residues pruned to eliminate duplicates Z: 28 20.551 1.891 0.560 0.529 0.963 0.481 CB 1.353 31 residues pruned to eliminate duplicates Z: 12 16.676 1.908 0.650 0.916 0.818 0.455 CB 1.378 12 residues pruned to eliminate duplicates Z: 30 19.552 1.873 0.566 0.533 0.897 0.414 CB 1.336 30 residues pruned to eliminate duplicates Z: 29 19.435 1.879 0.629 0.516 0.893 0.500 CB 1.322 29 residues pruned to eliminate duplicates Z: 31 20.022 1.862 0.549 0.545 0.933 0.533 CB 1.300 31 residues pruned to eliminate duplicates Z: 43 20.388 1.803 0.550 0.528 0.929 0.643 CB 1.179 43 residues pruned to eliminate duplicates Z: 29 19.513 1.877 0.555 0.541 0.964 0.500 CB 1.258 28 residues pruned to eliminate duplicates Z: 15 15.123 1.818 0.753 0.712 0.857 0.500 CB 1.221 15 residues pruned to eliminate duplicates Z: 29 19.617 1.881 0.552 0.528 0.929 0.393 CB 1.331 29 residues pruned to eliminate duplicates Z: 14 12.322 1.885 0.449 0.581 0.923 0.692 CA 1.254 14 residues pruned to eliminate duplicates Z: 7 5.905 1.612 0.204 0.849 1.000 0.833 CB 0.920 7 residues pruned to eliminate duplicates Z: 20 12.031 1.802 0.544 0.409 0.947 0.579 CB 1.152 20 residues pruned to eliminate duplicates Z: 39 16.498 1.836 0.558 0.341 0.842 0.500 CB 1.321 38 residues pruned to eliminate duplicates Z: 14 11.853 1.921 0.293 0.629 1.000 0.615 CA 1.173 14 residues pruned to eliminate duplicates Z: 23 14.378 1.951 0.354 0.395 0.955 0.500 CB 1.358 23 residues pruned to eliminate duplicates Z: 37 19.281 1.852 0.482 0.456 0.944 0.611 CB 1.297 37 residues pruned to eliminate duplicates Z: 39 18.466 1.858 0.619 0.400 0.868 0.553 CB 1.274 40 residues pruned to eliminate duplicates Z: 11 10.037 1.659 0.568 0.692 0.900 0.800 CA 1.138 11 residues pruned to eliminate duplicates Z: 36 16.954 1.838 0.620 0.353 0.886 0.543 CA 1.274 36 residues pruned to eliminate duplicates Z: 38 20.220 1.869 0.572 0.421 0.946 0.568 CB 1.298 41 residues pruned to eliminate duplicates Z: 14 10.825 1.623 0.800 0.464 0.923 0.538 CA 1.155 14 residues pruned to eliminate duplicates Z: 35 18.956 1.871 0.477 0.423 0.971 0.500 CA 1.313 35 residues pruned to eliminate duplicates Z: 37 20.666 1.898 0.547 0.454 0.889 0.556 CB 1.383 37 residues pruned to eliminate duplicates Z: 7 4.771 1.595 0.728 0.438 0.667 0.333 CA 1.129 7 residues pruned to eliminate duplicates Z: 27 14.713 1.894 0.493 0.347 0.885 0.538 CB 1.362 27 residues pruned to eliminate duplicates Z: 37 19.732 1.867 0.543 0.445 0.889 0.528 CA 1.359 36 residues pruned to eliminate duplicates Z: 10 8.167 1.669 0.514 0.745 1.000 0.778 CB 0.865 10 residues pruned to eliminate duplicates Z: 23 13.399 1.822 0.405 0.482 0.864 0.591 CB 1.316 23 residues pruned to eliminate duplicates Z: 36 20.296 1.933 0.478 0.441 0.943 0.543 CB 1.354 36 residues pruned to eliminate duplicates Z: 9 8.619 1.512 0.529 0.768 1.000 0.625 CB 1.040 9 residues pruned to eliminate duplicates Z: 28 16.603 1.865 0.537 0.398 0.926 0.630 CB 1.340 28 residues pruned to eliminate duplicates Z: 17 12.958 1.843 0.541 0.518 0.938 0.625 CB 1.195 17 residues pruned to eliminate duplicates Z: 21 12.694 1.861 0.572 0.403 0.900 0.600 CB 1.194 21 residues pruned to eliminate duplicates Z: 38 20.998 1.850 0.507 0.471 0.946 0.676 CB 1.347 38 residues pruned to eliminate duplicates Z: 10 8.241 1.764 0.357 0.519 0.889 0.556 CB 1.266 10 residues pruned to eliminate duplicates Z: 37 18.618 1.825 0.577 0.410 0.917 0.528 CB 1.293 37 residues pruned to eliminate duplicates Z: 37 21.306 1.886 0.505 0.465 0.972 0.556 CB 1.333 37 residues pruned to eliminate duplicates Z: 17 16.647 1.992 0.687 0.507 0.875 0.250 CB 1.405 16 residues pruned to eliminate duplicates Z: 8 12.185 1.759 1.070 0.549 1.000 0.143 CB 1.206 8 residues pruned to eliminate duplicates Z: 17 17.791 1.978 0.787 0.513 0.875 0.562 CB 1.419 18 residues pruned to eliminate duplicates Z: 8 4.369 1.435 0.670 0.635 0.857 0.286 CB 0.708 8 residues pruned to eliminate duplicates Z: 16 18.159 2.042 0.857 0.512 0.867 0.467 CB 1.410 16 residues pruned to eliminate duplicates Z: 16 16.814 1.945 0.820 0.520 0.933 0.467 CB 1.289 16 residues pruned to eliminate duplicates Z: 18 17.042 1.900 0.758 0.533 0.941 0.412 CB 1.273 18 residues pruned to eliminate duplicates Z: 9 7.616 1.744 0.575 0.496 1.000 0.375 CA 0.984 9 residues pruned to eliminate duplicates Z: 18 15.421 1.953 0.585 0.498 0.882 0.353 CB 1.372 18 residues pruned to eliminate duplicates Z: 18 13.027 1.943 0.612 0.362 0.765 0.529 CB 1.531 18 residues pruned to eliminate duplicates Z: 16 15.156 2.014 0.676 0.493 0.867 0.400 CB 1.347 16 residues pruned to eliminate duplicates Z: 37 31.381 2.028 0.870 0.540 0.917 0.500 CB 1.447 36 residues pruned to eliminate duplicates Z: 6 4.255 1.219 0.698 0.509 1.000 0.600 CA 0.911 6 residues pruned to eliminate duplicates Z: 38 34.837 2.109 0.866 0.556 0.946 0.649 CB 1.456 38 residues pruned to eliminate duplicates Z: 40 36.910 2.093 0.931 0.541 0.949 0.590 CB 1.480 40 residues pruned to eliminate duplicates Z: 42 28.477 2.041 0.858 0.502 0.854 0.537 CB 1.371 42 residues pruned to eliminate duplicates Z: 36 31.693 2.073 0.895 0.504 0.943 0.629 CB 1.441 36 residues pruned to eliminate duplicates Z: 40 33.960 2.064 0.821 0.541 1.000 0.667 CB 1.390 40 residues pruned to eliminate duplicates Z: 37 34.175 2.108 0.878 0.524 0.944 0.667 CB 1.487 37 residues pruned to eliminate duplicates Z: 40 31.874 2.085 0.859 0.514 0.923 0.590 CB 1.406 40 residues pruned to eliminate duplicates Z: 27 29.463 2.054 0.986 0.583 0.885 0.692 CB 1.479 27 residues pruned to eliminate duplicates Z: 42 26.615 1.991 0.887 0.514 0.854 0.488 CB 1.278 42 residues pruned to eliminate duplicates Z: 27 29.950 2.054 1.149 0.556 0.923 0.654 CB 1.365 27 residues pruned to eliminate duplicates Z: 37 31.801 2.076 0.880 0.510 0.917 0.583 CB 1.467 37 residues pruned to eliminate duplicates Z: 27 31.417 1.967 1.012 0.604 1.000 0.538 CB 1.411 27 residues pruned to eliminate duplicates Z: 40 38.794 2.100 1.048 0.533 0.974 0.590 CB 1.435 40 residues pruned to eliminate duplicates Z: 16 27.255 2.069 1.194 0.718 1.000 0.733 CA 1.273 16 residues pruned to eliminate duplicates Z: 43 33.170 2.065 0.999 0.494 0.905 0.524 CB 1.379 43 residues pruned to eliminate duplicates Z: 40 36.323 2.082 0.968 0.529 0.974 0.590 CB 1.416 40 residues pruned to eliminate duplicates Z: 40 39.218 2.091 0.974 0.524 0.974 0.564 CB 1.524 40 residues pruned to eliminate duplicates Z: 7 5.461 1.440 0.649 0.492 0.833 0.667 O 1.135 7 residues pruned to eliminate duplicates Z: 27 26.461 2.029 0.998 0.583 0.885 0.577 CB 1.336 27 residues pruned to eliminate duplicates Z: 40 42.085 2.090 1.129 0.547 0.974 0.487 CB 1.484 40 residues pruned to eliminate duplicates Z: 6 5.873 1.473 0.761 0.493 0.800 0.400 O 1.274 6 residues pruned to eliminate duplicates Z: 8 2.501 1.682 0.125 0.472 0.714 0.429 CB 0.720 8 residues pruned to eliminate duplicates Z: 7 7.528 1.825 0.200 0.498 1.000 0.500 CB 1.406 7 residues pruned to eliminate duplicates Z: 7 11.216 1.912 0.718 0.585 1.000 0.333 CB 1.284 7 residues pruned to eliminate duplicates Z: 37 18.291 1.900 0.469 0.405 0.944 0.472 CB 1.277 37 residues pruned to eliminate duplicates Z: 54 26.084 1.957 0.454 0.453 0.962 0.472 CB 1.373 98 residues pruned to eliminate duplicates Z: 34 18.417 1.936 0.580 0.402 0.939 0.545 CB 1.237 Z: 15 8.038 1.722 0.335 0.524 0.786 0.429 CB 1.161 15 residues pruned to eliminate duplicates Z: 35 16.637 1.892 0.503 0.424 0.912 0.529 CB 1.192 35 residues pruned to eliminate duplicates Z: 44 18.970 1.894 0.561 0.421 0.884 0.628 CB 1.202 34 residues pruned to eliminate duplicates Z: 6 4.504 1.511 0.197 0.569 1.000 0.400 CB 1.041 6 residues pruned to eliminate duplicates Z: 37 19.125 1.908 0.595 0.440 0.944 0.444 CB 1.179 37 residues pruned to eliminate duplicates Z: 8 5.816 1.622 0.425 0.380 1.000 0.429 CA 1.080 8 residues pruned to eliminate duplicates Z: 36 17.998 1.906 0.626 0.393 0.914 0.514 CB 1.203 34 residues pruned to eliminate duplicates Z: 6 5.734 1.771 1.230 0.422 0.800 0.800 CB 0.880 6 residues pruned to eliminate duplicates Z: 39 17.698 1.873 0.545 0.399 0.947 0.632 CB 1.165 39 residues pruned to eliminate duplicates Z: 37 17.295 1.890 0.468 0.412 0.944 0.611 CB 1.206 38 residues pruned to eliminate duplicates Z: 9 11.796 1.800 0.522 0.640 1.000 0.750 CA 1.335 9 residues pruned to eliminate duplicates Z: 18 9.899 1.827 0.412 0.492 0.824 0.529 CB 1.140 18 residues pruned to eliminate duplicates Z: 16 15.106 1.928 0.712 0.537 0.933 0.533 CB 1.221 17 residues pruned to eliminate duplicates Z: 7 8.492 1.728 0.617 0.774 0.833 0.667 CB 1.168 7 residues pruned to eliminate duplicates Z: 36 18.423 1.906 0.581 0.412 0.914 0.543 CB 1.240 36 residues pruned to eliminate duplicates Z: 16 13.925 1.847 0.446 0.564 1.000 0.467 CB 1.265 16 residues pruned to eliminate duplicates Z: 16 14.007 1.921 0.634 0.508 0.933 0.667 CB 1.224 16 residues pruned to eliminate duplicates Z: 41 19.121 1.887 0.579 0.415 0.925 0.475 CB 1.199 36 residues pruned to eliminate duplicates Z: 10 8.880 1.813 0.441 0.530 1.000 0.667 CB 1.100 10 residues pruned to eliminate duplicates Z: 38 16.916 1.869 0.446 0.408 0.892 0.459 CB 1.271 38 residues pruned to eliminate duplicates Z: 20 14.007 1.880 0.587 0.432 0.895 0.526 CB 1.291 20 residues pruned to eliminate duplicates Z: 20 12.912 1.810 0.536 0.436 0.947 0.684 CB 1.202 20 residues pruned to eliminate duplicates Z: 33 18.794 1.883 0.591 0.522 0.938 0.625 CB 1.157 32 residues pruned to eliminate duplicates Z: 6 3.059 1.179 0.613 0.466 1.000 0.800 N 0.745 6 residues pruned to eliminate duplicates Z: 7 6.861 1.854 0.415 0.518 1.000 0.667 CB 1.049 7 residues pruned to eliminate duplicates Z: 42 20.789 1.850 0.527 0.519 0.902 0.585 CB 1.250 42 residues pruned to eliminate duplicates Z: 6 4.844 1.670 0.893 0.413 0.800 0.400 CB 0.939 6 residues pruned to eliminate duplicates Z: 38 22.561 1.858 0.632 0.528 0.946 0.432 CB 1.257 38 residues pruned to eliminate duplicates Z: 24 16.031 1.899 0.607 0.537 0.870 0.522 CA 1.214 24 residues pruned to eliminate duplicates Z: 27 20.426 1.907 0.706 0.546 0.846 0.500 CA 1.391 27 residues pruned to eliminate duplicates Z: 37 17.824 1.859 0.634 0.458 0.861 0.472 CB 1.185 37 residues pruned to eliminate duplicates Z: 19 15.899 1.870 0.728 0.566 0.944 0.556 CA 1.151 19 residues pruned to eliminate duplicates Z: 15 18.459 1.950 0.948 0.730 0.857 0.714 CB 1.231 15 residues pruned to eliminate duplicates Z: 15 17.526 1.924 0.731 0.746 0.929 0.714 CA 1.216 15 residues pruned to eliminate duplicates Z: 13 19.844 2.018 0.858 0.777 0.917 0.917 CA 1.305 13 residues pruned to eliminate duplicates Z: 14 18.994 2.004 0.752 0.787 0.923 0.769 CA 1.262 14 residues pruned to eliminate duplicates Z: 15 18.519 1.932 0.882 0.730 0.929 0.714 CA 1.191 15 residues pruned to eliminate duplicates Z: 15 15.141 1.932 0.758 0.721 0.857 0.714 CB 1.139 15 residues pruned to eliminate duplicates Z: 13 18.981 1.981 0.855 0.777 0.917 0.667 CA 1.274 13 residues pruned to eliminate duplicates Z: 33 16.729 1.875 0.600 0.495 0.875 0.500 CB 1.132 33 residues pruned to eliminate duplicates Z: 27 21.692 1.904 0.775 0.604 0.923 0.577 CB 1.236 26 residues pruned to eliminate duplicates Z: 14 20.959 1.918 0.790 0.784 1.000 0.692 CB 1.319 14 residues pruned to eliminate duplicates Z: 40 16.580 1.842 0.486 0.440 0.872 0.487 CB 1.184 40 residues pruned to eliminate duplicates Z: 35 17.891 1.857 0.531 0.461 0.912 0.588 CB 1.231 35 residues pruned to eliminate duplicates Z: 11 10.404 1.613 0.584 0.543 1.000 0.800 CB 1.235 11 residues pruned to eliminate duplicates Z: 11 11.328 1.846 0.470 0.564 1.000 0.600 CB 1.240 11 residues pruned to eliminate duplicates Z: 22 15.892 1.895 0.433 0.564 0.905 0.714 CB 1.326 22 residues pruned to eliminate duplicates Z: 12 11.195 1.779 0.563 0.499 0.909 0.636 CB 1.336 12 residues pruned to eliminate duplicates Z: 22 16.909 1.880 0.507 0.545 0.952 0.714 CB 1.309 22 residues pruned to eliminate duplicates Z: 48 30.832 1.941 0.581 0.643 0.936 0.723 CB 1.369 55 residues pruned to eliminate duplicates Z: 13 15.391 1.852 0.548 0.728 1.000 0.750 CB 1.262 13 residues pruned to eliminate duplicates Z: 28 21.852 1.901 0.389 0.736 0.926 0.741 CA 1.392 28 residues pruned to eliminate duplicates Z: 77 30.420 1.856 0.427 0.630 0.934 0.579 CB 1.248 77 residues pruned to eliminate duplicates Z: 38 19.516 1.847 0.329 0.695 0.919 0.622 CB 1.190 38 residues pruned to eliminate duplicates Z: 44 22.088 1.821 0.449 0.637 0.953 0.628 CB 1.178 44 residues pruned to eliminate duplicates Z: 25 24.824 1.945 0.423 0.796 0.958 0.667 CB 1.475 25 residues pruned to eliminate duplicates Z: 39 17.277 1.827 0.200 0.618 0.868 0.605 CB 1.317 39 residues pruned to eliminate duplicates Z: 23 25.213 1.976 0.470 0.856 0.955 0.818 CB 1.430 23 residues pruned to eliminate duplicates Z: 21 19.313 1.957 0.373 0.771 1.000 0.700 CA 1.265 21 residues pruned to eliminate duplicates Z: 27 25.181 1.904 0.533 0.757 0.923 0.731 CB 1.458 27 residues pruned to eliminate duplicates Z: 44 20.815 1.827 0.586 0.606 0.860 0.535 CB 1.151 44 residues pruned to eliminate duplicates Z: 38 23.623 1.843 0.637 0.648 0.892 0.676 CB 1.257 38 residues pruned to eliminate duplicates Z: 25 27.734 1.941 0.779 0.813 0.917 0.667 CB 1.363 25 residues pruned to eliminate duplicates Z: 28 25.672 1.930 0.670 0.734 0.926 0.593 CB 1.341 28 residues pruned to eliminate duplicates Z: 27 24.939 1.851 0.693 0.777 0.923 0.577 CA 1.324 27 residues pruned to eliminate duplicates Z: 21 22.468 1.942 0.585 0.781 1.000 0.750 CA 1.274 21 residues pruned to eliminate duplicates Z: 25 27.897 1.972 0.621 0.815 0.958 0.708 CB 1.413 25 residues pruned to eliminate duplicates Z: 26 23.579 1.906 0.658 0.756 0.920 0.640 CA 1.291 26 residues pruned to eliminate duplicates Z: 39 21.754 1.828 0.571 0.681 0.921 0.658 CB 1.130 39 residues pruned to eliminate duplicates Z: 62 31.503 1.869 0.566 0.627 0.951 0.590 CB 1.287 62 residues pruned to eliminate duplicates Z: 28 21.199 1.928 0.484 0.737 0.926 0.741 CB 1.245 28 residues pruned to eliminate duplicates Z: 36 27.695 1.910 0.646 0.727 0.971 0.771 CB 1.250 36 residues pruned to eliminate duplicates Z: 25 25.510 1.915 0.588 0.838 1.000 0.792 CB 1.280 25 residues pruned to eliminate duplicates Z: 42 23.359 1.892 0.537 0.664 0.927 0.756 CB 1.162 42 residues pruned to eliminate duplicates Z: 12 8.037 1.725 0.584 0.532 0.818 0.636 CB 1.050 12 residues pruned to eliminate duplicates Z: 51 24.305 1.848 0.452 0.593 0.940 0.560 CB 1.247 51 residues pruned to eliminate duplicates Z: 41 24.308 1.858 0.626 0.663 0.950 0.650 CB 1.151 41 residues pruned to eliminate duplicates Z: 52 24.176 1.838 0.525 0.525 0.961 0.529 CB 1.226 52 residues pruned to eliminate duplicates Z: 6 3.857 1.605 0.389 0.568 0.800 0.600 CB 0.906 6 residues pruned to eliminate duplicates Z: 6 3.903 1.631 0.331 0.411 0.800 0.800 CB 1.104 6 residues pruned to eliminate duplicates Z: 51 22.086 1.843 0.469 0.525 0.920 0.600 CB 1.224 51 residues pruned to eliminate duplicates Z: 12 7.991 1.666 0.446 0.427 0.909 0.545 CB 1.187 12 residues pruned to eliminate duplicates Z: 7 6.114 1.791 0.314 0.468 0.833 0.333 CB 1.314 7 residues pruned to eliminate duplicates Z: 13 5.424 1.725 0.286 0.251 0.833 0.333 CB 1.128 13 residues pruned to eliminate duplicates Z: 11 3.866 1.769 0.207 0.307 0.700 0.600 CB 1.013 11 residues pruned to eliminate duplicates Z: 14 4.698 1.815 0.150 0.241 0.692 0.308 CB 1.217 14 residues pruned to eliminate duplicates Z: 53 29.479 1.974 0.693 0.459 0.904 0.615 CB 1.412 53 residues pruned to eliminate duplicates Z: 13 11.362 2.010 0.613 0.380 0.833 0.250 CB 1.380 13 residues pruned to eliminate duplicates Z: 20 17.112 1.963 0.733 0.340 0.895 0.368 CB 1.536 20 residues pruned to eliminate duplicates Z: 42 27.650 2.008 0.658 0.536 0.902 0.585 CB 1.388 42 residues pruned to eliminate duplicates Z: 44 31.601 2.008 0.670 0.549 0.953 0.581 CB 1.436 44 residues pruned to eliminate duplicates Z: 43 34.174 2.044 0.739 0.525 0.952 0.643 CB 1.520 43 residues pruned to eliminate duplicates Z: 7 9.902 1.749 0.823 0.687 0.833 0.500 CB 1.282 7 residues pruned to eliminate duplicates Z: 52 26.899 1.964 0.608 0.434 0.902 0.549 CB 1.416 52 residues pruned to eliminate duplicates Z: 41 33.315 2.031 0.746 0.552 0.925 0.525 CB 1.527 41 residues pruned to eliminate duplicates Z: 43 34.390 1.982 0.829 0.537 0.976 0.571 CB 1.446 43 residues pruned to eliminate duplicates Z: 43 32.049 2.015 0.688 0.529 0.976 0.667 CB 1.448 43 residues pruned to eliminate duplicates Z: 43 35.491 2.037 0.764 0.537 0.976 0.619 CB 1.506 43 residues pruned to eliminate duplicates Z: 43 38.307 2.052 0.816 0.542 1.000 0.619 CB 1.522 42 residues pruned to eliminate duplicates Z: 6 2.329 1.346 0.668 0.300 0.800 0.400 CA 0.725 6 residues pruned to eliminate duplicates Z: 43 34.983 2.041 0.758 0.523 0.976 0.524 CB 1.507 43 residues pruned to eliminate duplicates Z: 42 35.119 2.059 0.794 0.549 0.927 0.585 CB 1.526 42 residues pruned to eliminate duplicates Z: 41 35.295 2.020 0.781 0.557 0.975 0.650 CB 1.506 41 residues pruned to eliminate duplicates Z: 44 29.837 2.029 0.684 0.489 0.860 0.558 CB 1.565 44 residues pruned to eliminate duplicates Z: 44 29.876 2.033 0.689 0.465 0.907 0.581 CB 1.516 44 residues pruned to eliminate duplicates Z: 53 28.740 1.949 0.572 0.482 0.923 0.596 CB 1.436 53 residues pruned to eliminate duplicates Z: 41 31.767 2.032 0.704 0.512 0.950 0.575 CB 1.510 41 residues pruned to eliminate duplicates Z: 13 20.279 1.965 0.967 0.869 1.000 0.917 CA 1.106 13 residues pruned to eliminate duplicates Z: 43 30.473 2.034 0.675 0.491 0.952 0.476 CB 1.463 43 residues pruned to eliminate duplicates Z: 12 24.993 1.972 1.234 0.917 1.000 1.000 CA 1.207 12 residues pruned to eliminate duplicates Z: 42 33.795 2.086 0.758 0.488 0.951 0.610 CB 1.531 42 residues pruned to eliminate duplicates Z: 25 28.938 2.057 0.780 0.614 0.958 0.708 CA 1.511 25 residues pruned to eliminate duplicates Z: 41 33.655 2.081 0.731 0.495 1.000 0.525 CB 1.484 41 residues pruned to eliminate duplicates Z: 41 31.716 1.992 0.798 0.489 0.950 0.550 CB 1.490 41 residues pruned to eliminate duplicates Z: 12 26.669 2.012 1.297 0.907 1.000 0.909 CA 1.237 12 residues pruned to eliminate duplicates Z: 42 36.062 2.083 0.813 0.510 0.976 0.561 CB 1.513 42 residues pruned to eliminate duplicates Z: 43 30.810 2.045 0.731 0.463 0.929 0.500 CB 1.501 43 residues pruned to eliminate duplicates Z: 43 30.458 1.965 0.808 0.475 0.952 0.524 CB 1.424 43 residues pruned to eliminate duplicates Z: 43 33.849 2.068 0.747 0.489 0.976 0.548 CB 1.497 43 residues pruned to eliminate duplicates Z: 59 29.791 1.973 0.711 0.414 0.931 0.517 CB 1.362 59 residues pruned to eliminate duplicates Z: 33 34.262 2.027 0.881 0.568 0.969 0.719 CA 1.536 33 residues pruned to eliminate duplicates Z: 42 34.105 2.073 0.764 0.478 0.976 0.512 CB 1.527 43 residues pruned to eliminate duplicates Z: 6 3.541 1.409 0.509 0.389 0.800 0.800 CA 1.048 6 residues pruned to eliminate duplicates Z: 59 25.612 1.971 0.587 0.414 0.879 0.431 CB 1.339 59 residues pruned to eliminate duplicates Z: 42 35.076 2.058 0.839 0.492 0.976 0.537 CB 1.496 42 residues pruned to eliminate duplicates Z: 6 3.664 1.527 0.029 0.580 1.000 0.600 CA 0.966 6 residues pruned to eliminate duplicates Z: 43 18.428 1.911 0.451 0.461 0.857 0.500 CB 1.245 40 residues pruned to eliminate duplicates Z: 7 2.893 1.533 0.311 0.539 1.000 0.667 CA 0.566 7 residues pruned to eliminate duplicates Z: 43 20.463 1.914 0.429 0.437 0.929 0.524 CB 1.327 43 residues pruned to eliminate duplicates Z: 6 6.848 1.628 1.117 0.620 1.000 0.400 CB 0.793 6 residues pruned to eliminate duplicates Z: 60 31.197 1.960 0.550 0.618 0.949 0.661 CB 1.260 60 residues pruned to eliminate duplicates Z: 9 6.959 1.915 0.378 0.352 1.000 0.625 CB 1.095 9 residues pruned to eliminate duplicates Z: 25 23.438 1.976 0.705 0.613 0.958 0.583 CB 1.332 25 residues pruned to eliminate duplicates Z: 47 21.235 1.949 0.602 0.445 0.891 0.478 CB 1.190 33 residues pruned to eliminate duplicates Z: 15 18.455 1.768 0.790 0.837 0.929 0.571 CB 1.256 15 residues pruned to eliminate duplicates Z: 48 19.394 1.877 0.563 0.429 0.872 0.468 CB 1.190 48 residues pruned to eliminate duplicates Z: 68 35.430 1.951 0.708 0.502 0.925 0.567 CA 1.401 68 residues pruned to eliminate duplicates Z: 34 17.757 1.885 0.607 0.483 0.879 0.394 CB 1.181 34 residues pruned to eliminate duplicates Z: 69 34.983 1.957 0.689 0.570 0.912 0.647 CB 1.315 69 residues pruned to eliminate duplicates Z: 48 25.279 1.957 0.519 0.540 0.915 0.447 CB 1.304 48 residues pruned to eliminate duplicates Z: 22 15.231 2.027 0.621 0.529 0.857 0.571 CB 1.147 22 residues pruned to eliminate duplicates Z: 37 20.727 1.971 0.463 0.498 0.861 0.500 CB 1.393 37 residues pruned to eliminate duplicates Z: 51 25.799 1.932 0.585 0.537 0.860 0.520 CB 1.336 51 residues pruned to eliminate duplicates Z: 36 20.134 1.905 0.639 0.512 0.886 0.486 CB 1.216 36 residues pruned to eliminate duplicates Z: 70 31.259 1.939 0.493 0.553 0.928 0.623 CB 1.331 70 residues pruned to eliminate duplicates Z: 50 21.792 1.890 0.518 0.477 0.898 0.347 CB 1.236 50 residues pruned to eliminate duplicates Z: 41 22.398 1.938 0.614 0.486 0.875 0.525 CB 1.313 41 residues pruned to eliminate duplicates Z: 21 6.876 1.706 0.370 0.279 0.800 0.250 CB 1.056 21 residues pruned to eliminate duplicates Z: 35 16.246 1.864 0.439 0.490 0.882 0.500 CB 1.189 35 residues pruned to eliminate duplicates Z: 36 20.167 1.970 0.607 0.458 0.943 0.457 CB 1.191 36 residues pruned to eliminate duplicates Z: 32 19.809 1.934 0.706 0.534 0.935 0.548 CB 1.115 32 residues pruned to eliminate duplicates Z: 40 20.484 1.979 0.646 0.469 0.846 0.538 CB 1.228 40 residues pruned to eliminate duplicates Z: 16 7.940 1.742 0.613 0.393 0.667 0.333 CB 1.225 16 residues pruned to eliminate duplicates Z: 17 12.665 1.786 0.709 0.427 1.000 0.375 CB 1.119 17 residues pruned to eliminate duplicates Z: 24 14.032 1.812 0.496 0.506 0.870 0.478 CB 1.234 24 residues pruned to eliminate duplicates Z: 51 21.135 1.904 0.559 0.498 0.860 0.480 CB 1.173 51 residues pruned to eliminate duplicates Z: 16 11.403 1.721 0.514 0.645 0.800 0.600 CB 1.234 16 residues pruned to eliminate duplicates Z: 20 14.314 1.765 0.674 0.586 0.895 0.526 CB 1.144 20 residues pruned to eliminate duplicates Z: 50 22.542 1.902 0.558 0.516 0.878 0.531 CB 1.219 50 residues pruned to eliminate duplicates Z: 49 29.636 1.911 0.565 0.649 0.938 0.688 CB 1.327 49 residues pruned to eliminate duplicates Z: 16 14.168 1.851 0.370 0.668 1.000 0.467 CB 1.236 16 residues pruned to eliminate duplicates Z: 18 10.459 1.762 0.499 0.538 0.824 0.529 CB 1.124 18 residues pruned to eliminate duplicates Z: 23 10.568 1.759 0.400 0.492 0.955 0.591 CB 0.967 23 residues pruned to eliminate duplicates Z: 26 9.829 1.757 0.547 0.432 0.760 0.360 CB 1.021 26 residues pruned to eliminate duplicates Z: 42 22.415 1.846 0.494 0.585 0.902 0.634 CB 1.296 42 residues pruned to eliminate duplicates Z: 42 26.706 1.929 0.568 0.648 0.902 0.732 CB 1.330 42 residues pruned to eliminate duplicates Z: 49 24.403 1.882 0.573 0.535 0.896 0.583 CB 1.283 49 residues pruned to eliminate duplicates Z: 24 21.888 1.954 0.712 0.583 0.957 0.652 CA 1.317 24 residues pruned to eliminate duplicates Z: 30 25.093 1.961 0.553 0.711 0.931 0.759 CA 1.357 30 residues pruned to eliminate duplicates Z: 46 27.577 1.919 0.453 0.651 0.956 0.600 CB 1.340 46 residues pruned to eliminate duplicates Z: 38 25.468 1.941 0.612 0.628 0.892 0.622 CA 1.331 38 residues pruned to eliminate duplicates Z: 54 27.596 1.899 0.550 0.591 0.887 0.660 CA 1.331 54 residues pruned to eliminate duplicates Z: 27 20.986 1.931 0.660 0.561 0.923 0.538 CB 1.311 27 residues pruned to eliminate duplicates Z: 30 25.796 1.977 0.561 0.682 0.966 0.862 CA 1.361 30 residues pruned to eliminate duplicates Z: 31 21.652 1.962 0.540 0.627 0.900 0.667 CA 1.291 31 residues pruned to eliminate duplicates Z: 49 27.857 1.890 0.555 0.637 0.938 0.646 CB 1.283 49 residues pruned to eliminate duplicates Z: 31 26.057 1.947 0.745 0.602 0.967 0.733 CB 1.314 31 residues pruned to eliminate duplicates Z: 24 32.912 2.011 0.868 0.804 0.957 0.739 CA 1.465 24 residues pruned to eliminate duplicates Z: 42 26.220 1.873 0.617 0.649 0.927 0.805 CB 1.270 42 residues pruned to eliminate duplicates Z: 35 21.941 1.918 0.679 0.559 0.912 0.676 CA 1.210 35 residues pruned to eliminate duplicates Z: 30 30.458 2.017 0.660 0.695 0.966 0.655 CB 1.464 30 residues pruned to eliminate duplicates Z: 32 30.658 2.000 0.716 0.664 0.935 0.613 CB 1.473 32 residues pruned to eliminate duplicates Z: 28 31.460 2.024 0.836 0.672 0.963 0.667 CB 1.444 28 residues pruned to eliminate duplicates Z: 46 28.938 1.932 0.586 0.679 0.933 0.667 CB 1.279 46 residues pruned to eliminate duplicates Z: 43 27.698 1.905 0.596 0.625 0.905 0.667 CB 1.381 43 residues pruned to eliminate duplicates Z: 34 27.613 1.960 0.675 0.686 0.970 0.636 CB 1.273 34 residues pruned to eliminate duplicates Z: 67 39.387 2.033 0.760 0.597 0.894 0.606 CA 1.381 67 residues pruned to eliminate duplicates Z: 26 30.041 1.997 0.778 0.801 0.920 0.680 CA 1.414 26 residues pruned to eliminate duplicates Z: 63 40.189 2.016 0.836 0.587 0.919 0.597 CA 1.380 63 residues pruned to eliminate duplicates Z: 45 32.673 1.960 0.664 0.711 0.955 0.659 CB 1.306 45 residues pruned to eliminate duplicates Z: 35 27.961 1.938 0.728 0.705 0.941 0.735 CB 1.262 35 residues pruned to eliminate duplicates Z: 63 43.412 2.029 0.831 0.629 0.935 0.694 CA 1.405 63 residues pruned to eliminate duplicates Z: 37 31.893 1.987 0.824 0.640 0.972 0.694 CA 1.323 37 residues pruned to eliminate duplicates Z: 27 27.427 1.971 0.754 0.721 0.962 0.577 CA 1.325 27 residues pruned to eliminate duplicates Z: 56 31.779 1.916 0.753 0.638 0.909 0.618 CB 1.233 56 residues pruned to eliminate duplicates Z: 125 53.331 2.008 0.800 0.557 0.927 0.556 CB 1.351 125 residues pruned to eliminate duplicates Z: 37 31.383 1.996 0.889 0.597 0.972 0.694 CB 1.300 37 residues pruned to eliminate duplicates Z: 86 40.023 1.967 0.708 0.555 0.941 0.671 CB 1.302 86 residues pruned to eliminate duplicates Z: 35 34.271 2.034 0.817 0.625 1.000 0.647 CA 1.414 35 residues pruned to eliminate duplicates Z: 67 35.848 1.995 0.661 0.541 0.924 0.667 CB 1.385 67 residues pruned to eliminate duplicates Z: 38 32.541 2.063 0.820 0.528 0.946 0.622 CA 1.465 38 residues pruned to eliminate duplicates Z: 85 44.710 1.994 0.699 0.578 0.964 0.619 CB 1.384 85 residues pruned to eliminate duplicates Z: 37 27.912 2.058 0.658 0.533 0.917 0.556 CA 1.440 37 residues pruned to eliminate duplicates Z: 20 12.415 1.910 0.483 0.463 0.842 0.684 CB 1.241 20 residues pruned to eliminate duplicates Z: 77 41.188 2.046 0.749 0.514 0.921 0.553 CA 1.413 77 residues pruned to eliminate duplicates Z: 31 30.188 2.113 0.853 0.586 0.900 0.733 CA 1.441 31 residues pruned to eliminate duplicates Z: 68 38.879 2.010 0.762 0.579 0.896 0.627 CA 1.388 68 residues pruned to eliminate duplicates Z: 39 30.118 2.016 0.763 0.573 0.947 0.658 CA 1.352 39 residues pruned to eliminate duplicates Z: 68 38.505 2.019 0.760 0.546 0.910 0.582 CA 1.390 68 residues pruned to eliminate duplicates Z: 42 27.642 1.979 0.661 0.500 0.951 0.512 CA 1.381 42 residues pruned to eliminate duplicates Z: 41 28.249 2.015 0.862 0.507 0.875 0.575 CB 1.351 41 residues pruned to eliminate duplicates Z: 54 31.740 1.967 0.706 0.484 0.925 0.623 CA 1.429 54 residues pruned to eliminate duplicates Z: 60 29.578 2.005 0.627 0.497 0.915 0.695 CA 1.293 60 residues pruned to eliminate duplicates Z: 31 26.170 2.075 0.760 0.578 0.933 0.667 CA 1.301 31 residues pruned to eliminate duplicates Z: 42 28.280 2.012 0.726 0.552 0.927 0.634 CA 1.305 42 residues pruned to eliminate duplicates Z: 37 20.841 2.008 0.619 0.485 0.833 0.528 CA 1.302 37 residues pruned to eliminate duplicates Z: 48 30.047 2.003 0.722 0.523 0.894 0.638 CA 1.391 48 residues pruned to eliminate duplicates Z: 31 30.337 2.073 0.819 0.594 0.900 0.633 CA 1.492 31 residues pruned to eliminate duplicates Z: 38 29.825 2.044 0.758 0.562 0.946 0.595 CA 1.358 38 residues pruned to eliminate duplicates Z: 39 31.037 2.069 0.777 0.580 0.921 0.605 CA 1.376 39 residues pruned to eliminate duplicates Z: 42 29.704 2.032 0.785 0.538 0.927 0.683 CA 1.329 42 residues pruned to eliminate duplicates Z: 24 26.149 2.049 0.754 0.695 0.957 0.696 CA 1.327 24 residues pruned to eliminate duplicates Z: 41 26.039 2.010 0.653 0.539 0.900 0.525 CA 1.325 41 residues pruned to eliminate duplicates Z: 29 25.346 2.054 0.682 0.617 0.857 0.607 CA 1.448 29 residues pruned to eliminate duplicates Z: 31 28.923 2.083 0.784 0.591 0.933 0.633 CA 1.395 31 residues pruned to eliminate duplicates Z: 38 31.795 2.035 0.895 0.491 0.946 0.514 CA 1.446 38 residues pruned to eliminate duplicates Z: 54 25.829 1.960 0.596 0.465 0.887 0.528 CA 1.325 54 residues pruned to eliminate duplicates Z: 39 29.095 2.021 0.815 0.570 0.895 0.632 CA 1.344 39 residues pruned to eliminate duplicates Z: 42 27.787 2.011 0.740 0.501 0.976 0.683 CA 1.271 42 residues pruned to eliminate duplicates Z: 105 47.224 2.005 0.688 0.587 0.913 0.577 CB 1.378 105 residues pruned to eliminate duplicates Z: 39 27.162 2.073 0.647 0.495 0.921 0.605 CA 1.409 39 residues pruned to eliminate duplicates Z: 52 28.109 1.966 0.650 0.447 0.882 0.529 CA 1.453 52 residues pruned to eliminate duplicates Z: 84 40.984 2.026 0.700 0.508 0.928 0.554 CA 1.396 84 residues pruned to eliminate duplicates Z: 107 45.399 1.987 0.762 0.525 0.906 0.557 CB 1.357 107 residues pruned to eliminate duplicates Z: 44 31.467 2.025 0.826 0.489 0.930 0.605 CB 1.411 44 residues pruned to eliminate duplicates Z: 38 26.077 2.032 0.756 0.469 0.892 0.514 CB 1.391 38 residues pruned to eliminate duplicates Z: 43 27.185 2.037 0.666 0.538 0.857 0.643 CB 1.390 43 residues pruned to eliminate duplicates Z: 83 37.856 1.974 0.776 0.484 0.902 0.598 CB 1.342 83 residues pruned to eliminate duplicates Z: 42 31.158 2.078 0.811 0.515 0.902 0.610 CB 1.412 42 residues pruned to eliminate duplicates Z: 7 19.257 2.054 1.095 0.761 1.000 0.333 CB 1.450 7 residues pruned to eliminate duplicates Z: 43 26.746 1.982 0.772 0.508 0.905 0.500 CB 1.288 43 residues pruned to eliminate duplicates Z: 20 15.224 2.008 0.707 0.414 0.789 0.526 CB 1.412 20 residues pruned to eliminate duplicates Z: 23 15.069 1.932 0.924 0.305 0.864 0.273 CB 1.242 23 residues pruned to eliminate duplicates Z: 43 31.345 2.058 0.755 0.478 0.929 0.595 CB 1.475 43 residues pruned to eliminate duplicates Z: 34 24.752 2.085 0.751 0.474 0.848 0.606 CB 1.427 34 residues pruned to eliminate duplicates Z: 43 30.587 2.044 0.834 0.509 0.881 0.548 CB 1.417 43 residues pruned to eliminate duplicates Z: 21 15.183 1.961 0.730 0.284 0.900 0.500 CB 1.418 21 residues pruned to eliminate duplicates Z: 43 30.899 2.063 0.844 0.499 0.905 0.595 CB 1.386 43 residues pruned to eliminate duplicates Z: 43 29.596 2.056 0.742 0.512 0.905 0.571 CB 1.393 43 residues pruned to eliminate duplicates Z: 43 30.182 2.060 0.749 0.493 0.881 0.595 CB 1.477 43 residues pruned to eliminate duplicates Z: 108 51.529 2.034 0.736 0.531 0.953 0.607 CA 1.435 108 residues pruned to eliminate duplicates Z: 42 32.983 2.077 0.824 0.499 0.951 0.610 CB 1.430 42 residues pruned to eliminate duplicates Z: 42 33.554 2.055 0.857 0.506 0.927 0.512 CB 1.472 42 residues pruned to eliminate duplicates Z: 24 26.160 2.030 0.863 0.674 0.913 0.696 CA 1.345 24 residues pruned to eliminate duplicates Z: 33 27.175 2.110 0.802 0.455 0.875 0.594 CB 1.512 33 residues pruned to eliminate duplicates Z: 26 22.960 1.986 0.691 0.605 0.920 0.560 CA 1.346 26 residues pruned to eliminate duplicates Z: 44 31.869 2.030 0.852 0.476 0.930 0.512 CB 1.423 44 residues pruned to eliminate duplicates Z: 43 32.378 2.067 0.852 0.459 0.929 0.571 CB 1.465 43 residues pruned to eliminate duplicates Z: 43 33.154 2.073 0.811 0.511 0.952 0.571 CB 1.416 42 residues pruned to eliminate duplicates Z: 12 22.083 2.086 1.158 0.907 0.818 0.364 CB 1.284 12 residues pruned to eliminate duplicates Z: 43 30.167 2.037 0.871 0.467 0.881 0.381 CB 1.433 43 residues pruned to eliminate duplicates Z: 43 34.729 2.067 0.955 0.521 0.929 0.524 CB 1.399 43 residues pruned to eliminate duplicates Z: 33 33.287 2.057 0.835 0.602 0.938 0.688 CB 1.509 33 residues pruned to eliminate duplicates Z: 30 31.167 2.030 0.934 0.555 0.931 0.517 CB 1.501 30 residues pruned to eliminate duplicates Z: 75 45.895 2.070 0.883 0.507 0.932 0.581 CA 1.458 75 residues pruned to eliminate duplicates Z: 43 36.186 2.053 0.933 0.508 0.952 0.452 CB 1.466 43 residues pruned to eliminate duplicates Z: 43 34.433 2.050 0.965 0.517 0.929 0.524 CB 1.397 43 residues pruned to eliminate duplicates Z: 12 6.867 1.718 -0.024 0.686 1.000 0.636 CB 1.041 13 residues pruned to eliminate duplicates Z: 9 6.195 1.685 0.095 0.558 1.000 0.500 CB 1.122 9 residues pruned to eliminate duplicates Z: 20 12.230 1.788 0.406 0.479 0.895 0.684 CB 1.274 20 residues pruned to eliminate duplicates Z: 13 7.708 1.633 0.195 0.631 0.917 0.667 CB 1.100 13 residues pruned to eliminate duplicates Z: 34 16.091 1.777 0.432 0.430 0.939 0.515 CB 1.261 34 residues pruned to eliminate duplicates Z: 10 4.641 1.670 0.138 0.413 0.889 0.556 CB 1.003 10 residues pruned to eliminate duplicates Z: 37 14.362 1.840 0.355 0.394 0.889 0.417 CB 1.208 37 residues pruned to eliminate duplicates Z: 36 15.698 1.822 0.433 0.389 0.886 0.486 CB 1.291 36 residues pruned to eliminate duplicates Z: 25 12.951 1.750 0.352 0.406 0.917 0.417 CB 1.345 25 residues pruned to eliminate duplicates Z: 22 14.065 1.684 0.460 0.535 0.905 0.619 CB 1.333 22 residues pruned to eliminate duplicates Z: 38 14.542 1.846 0.365 0.387 0.865 0.486 CB 1.237 38 residues pruned to eliminate duplicates Z: 30 17.382 1.794 0.473 0.463 0.966 0.552 CB 1.313 30 residues pruned to eliminate duplicates Z: 39 14.617 1.801 0.487 0.353 0.842 0.474 CB 1.232 39 residues pruned to eliminate duplicates Z: 31 14.382 1.845 0.454 0.361 0.867 0.433 CB 1.313 31 residues pruned to eliminate duplicates Z: 6 3.665 1.559 0.585 0.407 1.000 0.600 CA 0.732 6 residues pruned to eliminate duplicates Z: 38 13.726 1.838 0.339 0.361 0.865 0.514 CB 1.231 38 residues pruned to eliminate duplicates Z: 32 13.154 1.807 0.415 0.404 0.839 0.516 CB 1.218 32 residues pruned to eliminate duplicates Z: 36 12.922 1.818 0.363 0.402 0.800 0.543 CB 1.222 36 residues pruned to eliminate duplicates Z: 35 16.022 1.797 0.499 0.428 0.941 0.471 CB 1.168 35 residues pruned to eliminate duplicates Z: 35 16.474 1.864 0.417 0.437 0.912 0.559 CB 1.252 35 residues pruned to eliminate duplicates Z: 38 16.280 1.814 0.399 0.407 0.892 0.432 CB 1.304 38 residues pruned to eliminate duplicates Z: 11 9.676 1.510 0.545 0.691 1.000 0.700 N 1.101 11 residues pruned to eliminate duplicates Z: 11 6.393 1.785 0.419 0.634 0.700 0.700 CB 1.006 11 residues pruned to eliminate duplicates Z: 21 7.973 1.763 0.291 0.446 0.900 0.450 CB 0.920 21 residues pruned to eliminate duplicates Z: 39 16.551 1.780 0.391 0.461 0.947 0.474 CB 1.191 39 residues pruned to eliminate duplicates Z: 14 8.666 1.737 0.418 0.475 0.846 0.538 CB 1.183 14 residues pruned to eliminate duplicates Z: 19 12.561 1.831 0.357 0.527 1.000 0.444 CB 1.160 19 residues pruned to eliminate duplicates Z: 27 14.405 1.846 0.527 0.390 0.846 0.500 CB 1.332 27 residues pruned to eliminate duplicates Z: 41 17.265 1.775 0.453 0.428 0.925 0.450 CB 1.233 41 residues pruned to eliminate duplicates Z: 52 15.496 1.742 0.350 0.365 0.882 0.353 CB 1.208 52 residues pruned to eliminate duplicates Z: 6 3.064 1.490 0.276 0.339 1.000 0.400 CB 0.858 6 residues pruned to eliminate duplicates Z: 8 5.420 1.884 0.344 0.444 0.714 0.429 CB 1.201 8 residues pruned to eliminate duplicates Z: 8 6.436 1.908 0.292 0.468 0.857 0.571 CB 1.189 8 residues pruned to eliminate duplicates Z: 45 22.985 1.963 0.448 0.491 0.909 0.591 CB 1.354 45 residues pruned to eliminate duplicates Z: 40 25.258 1.936 0.709 0.499 0.923 0.538 CB 1.325 40 residues pruned to eliminate duplicates Z: 18 16.195 1.882 0.670 0.466 0.941 0.412 CA 1.374 18 residues pruned to eliminate duplicates Z: 16 15.618 1.885 0.697 0.414 1.000 0.600 CA 1.379 16 residues pruned to eliminate duplicates Z: 11 9.718 1.882 0.486 0.334 1.000 0.300 CA 1.318 11 residues pruned to eliminate duplicates Z: 42 25.277 1.955 0.556 0.510 0.951 0.659 CA 1.350 42 residues pruned to eliminate duplicates Z: 41 28.534 1.960 0.710 0.544 0.925 0.575 CA 1.393 43 residues pruned to eliminate duplicates Z: 6 12.537 1.802 0.660 0.848 1.000 0.600 CA 1.391 6 residues pruned to eliminate duplicates Z: 42 25.028 1.932 0.618 0.543 0.902 0.488 CA 1.329 42 residues pruned to eliminate duplicates Z: 19 12.148 1.838 0.564 0.447 0.833 0.444 CA 1.262 19 residues pruned to eliminate duplicates Z: 42 25.683 1.944 0.527 0.529 0.927 0.659 CA 1.417 42 residues pruned to eliminate duplicates Z: 42 24.104 1.959 0.587 0.485 0.902 0.537 CB 1.362 42 residues pruned to eliminate duplicates Z: 42 26.132 1.956 0.580 0.480 0.951 0.585 CA 1.416 42 residues pruned to eliminate duplicates Z: 42 26.739 1.941 0.604 0.519 0.951 0.659 CA 1.385 42 residues pruned to eliminate duplicates Z: 24 25.791 1.987 0.878 0.649 0.913 0.826 CA 1.373 24 residues pruned to eliminate duplicates Z: 43 28.507 1.943 0.741 0.497 0.929 0.667 CA 1.404 42 residues pruned to eliminate duplicates Z: 14 13.368 1.837 0.404 0.859 1.000 0.846 CA 1.058 14 residues pruned to eliminate duplicates Z: 42 25.591 1.933 0.672 0.487 0.927 0.659 CA 1.352 42 residues pruned to eliminate duplicates Z: 17 16.798 2.013 0.504 0.617 0.875 0.688 CB 1.420 17 residues pruned to eliminate duplicates Z: 43 24.952 1.921 0.605 0.482 0.929 0.571 CA 1.370 43 residues pruned to eliminate duplicates Z: 27 24.274 1.899 0.772 0.603 0.962 0.654 CA 1.333 27 residues pruned to eliminate duplicates Z: 12 19.364 2.014 0.560 0.870 1.000 0.818 CA 1.357 12 residues pruned to eliminate duplicates Z: 25 23.569 1.986 0.634 0.585 1.000 0.708 CB 1.366 25 residues pruned to eliminate duplicates Z: 28 21.445 1.894 0.753 0.554 0.889 0.667 CB 1.326 28 residues pruned to eliminate duplicates Z: 21 23.388 1.944 0.865 0.607 1.000 0.750 CA 1.303 21 residues pruned to eliminate duplicates Z: 43 24.984 1.921 0.653 0.461 0.952 0.548 CA 1.326 43 residues pruned to eliminate duplicates Z: 27 23.177 1.905 0.871 0.566 0.923 0.538 CB 1.296 27 residues pruned to eliminate duplicates Z: 37 22.026 1.956 0.683 0.370 0.889 0.444 CA 1.441 37 residues pruned to eliminate duplicates Z: 46 24.358 1.894 0.667 0.459 0.867 0.622 CA 1.385 46 residues pruned to eliminate duplicates Z: 25 26.104 1.971 0.917 0.591 0.958 0.625 CA 1.349 25 residues pruned to eliminate duplicates Z: 6 9.454 1.768 0.538 0.806 1.000 0.600 CB 1.191 6 residues pruned to eliminate duplicates Z: 40 17.020 1.984 0.579 0.361 0.846 0.641 CB 1.194 55 residues pruned to eliminate duplicates Z: 6 7.083 2.020 0.267 0.754 1.000 0.800 CB 0.987 6 residues pruned to eliminate duplicates Z: 19 17.471 2.080 0.679 0.457 0.889 0.778 CA 1.387 19 residues pruned to eliminate duplicates Z: 15 19.939 2.118 0.657 0.580 1.000 0.714 CB 1.407 15 residues pruned to eliminate duplicates Z: 18 18.414 2.112 0.608 0.481 0.941 0.529 CA 1.424 18 residues pruned to eliminate duplicates Z: 38 17.737 1.902 0.461 0.405 0.892 0.595 CA 1.300 37 residues pruned to eliminate duplicates Z: 10 11.061 1.897 0.372 0.766 0.889 0.556 CA 1.259 10 residues pruned to eliminate duplicates Z: 37 16.090 1.978 0.431 0.361 0.889 0.667 CB 1.238 38 residues pruned to eliminate duplicates Z: 11 9.276 1.753 0.364 0.691 1.000 0.700 CA 1.030 11 residues pruned to eliminate duplicates Z: 25 20.895 2.011 0.795 0.412 0.958 0.708 CA 1.352 25 residues pruned to eliminate duplicates Z: 12 11.377 1.738 0.458 0.613 1.000 0.727 CA 1.216 12 residues pruned to eliminate duplicates Z: 20 20.327 2.068 0.704 0.493 1.000 0.737 CA 1.332 20 residues pruned to eliminate duplicates Z: 79 33.358 1.992 0.621 0.455 0.923 0.603 CB 1.327 115 residues pruned to eliminate duplicates Z: 29 19.401 1.953 0.512 0.441 0.964 0.571 CB 1.368 Z: 8 6.936 1.506 0.917 0.580 1.000 0.857 N 0.841 8 residues pruned to eliminate duplicates Z: 25 16.260 1.974 0.529 0.398 0.917 0.625 CB 1.336 25 residues pruned to eliminate duplicates Z: 31 19.050 1.920 0.581 0.408 0.933 0.700 CA 1.352 29 residues pruned to eliminate duplicates Z: 7 3.061 1.382 0.816 0.389 0.833 0.167 CA 0.672 7 residues pruned to eliminate duplicates Z: 40 18.996 1.932 0.659 0.364 0.923 0.385 CB 1.190 32 residues pruned to eliminate duplicates Z: 10 2.946 1.367 0.215 0.604 1.000 0.667 CB 0.536 10 residues pruned to eliminate duplicates Z: 39 17.986 1.934 0.671 0.351 0.842 0.553 CB 1.260 39 residues pruned to eliminate duplicates Z: 39 19.582 1.986 0.717 0.353 0.921 0.500 CB 1.185 38 residues pruned to eliminate duplicates Z: 8 5.566 1.756 0.411 0.696 0.857 0.571 CB 0.828 8 residues pruned to eliminate duplicates Z: 34 18.083 1.987 0.547 0.349 0.909 0.424 CB 1.327 35 residues pruned to eliminate duplicates Z: 6 2.732 1.670 0.301 0.762 0.800 0.400 CB 0.557 6 residues pruned to eliminate duplicates Z: 49 17.809 1.915 0.359 0.400 0.917 0.542 CB 1.198 44 residues pruned to eliminate duplicates Z: 6 3.209 1.753 0.168 0.814 1.000 0.800 CB 0.534 6 residues pruned to eliminate duplicates Z: 21 11.727 1.880 0.625 0.388 0.850 0.400 CB 1.137 21 residues pruned to eliminate duplicates Z: 7 5.727 1.837 0.335 0.679 1.000 0.667 CB 0.809 7 residues pruned to eliminate duplicates Z: 42 18.380 1.923 0.574 0.432 0.854 0.512 CB 1.193 42 residues pruned to eliminate duplicates Z: 44 20.159 1.911 0.515 0.442 0.907 0.512 CB 1.243 44 residues pruned to eliminate duplicates Z: 11 4.576 1.960 0.304 0.261 0.800 0.300 CB 0.930 8 residues pruned to eliminate duplicates Z: 8 5.422 1.444 0.763 0.627 0.857 0.286 CA 0.834 8 residues pruned to eliminate duplicates Z: 47 25.051 1.825 0.747 0.462 0.913 0.478 CA 1.318 47 residues pruned to eliminate duplicates Z: 55 20.113 1.745 0.740 0.429 0.815 0.463 CB 1.190 55 residues pruned to eliminate duplicates Z: 11 9.230 1.810 0.503 0.394 0.900 0.200 CA 1.333 11 residues pruned to eliminate duplicates Z: 30 18.616 1.819 0.784 0.552 0.931 0.448 CB 1.087 30 residues pruned to eliminate duplicates Z: 116 44.238 1.955 0.595 0.570 0.913 0.626 CB 1.354 116 residues pruned to eliminate duplicates Z: 53 30.437 1.914 0.790 0.511 0.923 0.519 CB 1.320 43 residues pruned to eliminate duplicates Z: 17 20.528 1.852 0.744 0.762 0.938 0.562 CB 1.344 17 residues pruned to eliminate duplicates Z: 49 20.572 1.794 0.664 0.445 0.875 0.479 CB 1.203 49 residues pruned to eliminate duplicates Z: 96 29.588 1.841 0.504 0.429 0.916 0.495 CB 1.288 40 residues pruned to eliminate duplicates Z: 11 20.742 1.981 1.062 0.917 1.000 0.800 CB 1.133 11 residues pruned to eliminate duplicates Z: 91 35.358 1.891 0.593 0.555 0.900 0.567 CB 1.303 91 residues pruned to eliminate duplicates Z: 38 20.966 1.807 0.681 0.498 0.892 0.514 CA 1.275 38 residues pruned to eliminate duplicates Z: 41 25.138 1.919 0.685 0.553 0.875 0.625 CB 1.334 41 residues pruned to eliminate duplicates Z: 39 23.591 1.901 0.736 0.555 0.868 0.632 CB 1.267 39 residues pruned to eliminate duplicates Z: 44 24.835 1.917 0.635 0.510 0.953 0.558 CB 1.255 44 residues pruned to eliminate duplicates Z: 51 25.658 1.896 0.601 0.510 0.880 0.480 CB 1.345 51 residues pruned to eliminate duplicates Z: 52 26.484 1.877 0.560 0.531 0.902 0.549 CB 1.362 52 residues pruned to eliminate duplicates Z: 39 23.189 1.905 0.649 0.544 0.895 0.526 CB 1.282 39 residues pruned to eliminate duplicates Z: 43 23.303 1.880 0.652 0.524 0.881 0.595 CB 1.284 43 residues pruned to eliminate duplicates Z: 28 20.016 1.851 0.604 0.498 0.926 0.519 CB 1.404 28 residues pruned to eliminate duplicates Z: 38 21.543 1.874 0.512 0.549 0.919 0.514 CB 1.297 38 residues pruned to eliminate duplicates Z: 38 22.150 1.909 0.547 0.580 0.892 0.649 CB 1.281 38 residues pruned to eliminate duplicates Z: 12 11.757 1.908 0.484 0.509 0.909 0.636 CB 1.365 12 residues pruned to eliminate duplicates Z: 26 17.062 1.817 0.617 0.504 0.840 0.560 CB 1.377 26 residues pruned to eliminate duplicates Z: 26 16.889 1.802 0.609 0.592 0.920 0.680 CB 1.159 26 residues pruned to eliminate duplicates Z: 20 16.924 1.857 0.642 0.537 0.895 0.632 CA 1.371 20 residues pruned to eliminate duplicates Z: 15 8.794 1.753 0.355 0.368 0.929 0.500 CA 1.227 15 residues pruned to eliminate duplicates Z: 11 10.629 1.870 0.496 0.339 1.000 0.500 CA 1.433 11 residues pruned to eliminate duplicates Z: 38 15.810 1.814 0.493 0.495 0.784 0.514 CB 1.231 38 residues pruned to eliminate duplicates Z: 22 11.594 1.842 0.462 0.427 0.762 0.476 CB 1.330 22 residues pruned to eliminate duplicates Z: 21 13.001 1.780 0.555 0.367 0.850 0.500 CB 1.424 21 residues pruned to eliminate duplicates Z: 25 15.356 1.860 0.416 0.475 0.833 0.500 CA 1.465 25 residues pruned to eliminate duplicates Z: 10 6.162 1.806 0.407 0.427 0.667 0.333 CA 1.307 10 residues pruned to eliminate duplicates Z: 22 14.077 1.812 0.409 0.433 0.952 0.429 CA 1.354 22 residues pruned to eliminate duplicates Z: 14 14.723 1.748 0.506 0.715 1.000 0.692 CA 1.277 14 residues pruned to eliminate duplicates Z: 41 25.615 1.971 0.420 0.679 0.900 0.725 CA 1.364 41 residues pruned to eliminate duplicates Z: 49 30.164 1.879 0.609 0.628 0.958 0.667 CA 1.332 49 residues pruned to eliminate duplicates Z: 87 34.797 1.911 0.521 0.575 0.930 0.640 CB 1.291 87 residues pruned to eliminate duplicates Z: 46 28.246 1.921 0.496 0.689 0.978 0.778 CA 1.260 46 residues pruned to eliminate duplicates Z: 42 26.193 1.902 0.426 0.659 1.000 0.659 CA 1.302 42 residues pruned to eliminate duplicates Z: 86 42.791 1.978 0.638 0.559 0.953 0.647 CB 1.419 86 residues pruned to eliminate duplicates Z: 28 16.834 1.919 0.489 0.548 0.926 0.704 CA 1.169 28 residues pruned to eliminate duplicates Z: 24 13.184 1.827 0.505 0.410 0.913 0.217 CB 1.203 24 residues pruned to eliminate duplicates Z: 46 30.445 1.939 0.555 0.665 0.933 0.711 CB 1.384 46 residues pruned to eliminate duplicates Z: 45 25.947 1.915 0.436 0.662 0.955 0.682 CB 1.282 45 residues pruned to eliminate duplicates Z: 50 33.315 1.996 0.614 0.619 0.959 0.776 CA 1.377 50 residues pruned to eliminate duplicates Z: 46 31.563 1.950 0.610 0.689 0.956 0.778 CA 1.319 46 residues pruned to eliminate duplicates Z: 56 29.109 1.991 0.553 0.557 0.909 0.509 CB 1.321 56 residues pruned to eliminate duplicates Z: 43 33.877 1.972 0.636 0.708 1.000 0.786 CA 1.341 43 residues pruned to eliminate duplicates Z: 31 25.001 2.007 0.558 0.703 0.967 0.767 CA 1.256 31 residues pruned to eliminate duplicates Z: 41 29.559 1.907 0.671 0.681 0.950 0.700 CA 1.307 41 residues pruned to eliminate duplicates Z: 48 30.446 1.923 0.563 0.680 0.957 0.745 CA 1.308 48 residues pruned to eliminate duplicates Z: 44 34.256 1.952 0.647 0.697 0.977 0.628 CB 1.390 44 residues pruned to eliminate duplicates Z: 61 29.301 1.894 0.535 0.606 0.900 0.617 CB 1.307 61 residues pruned to eliminate duplicates Z: 33 25.715 1.925 0.606 0.633 0.969 0.625 CA 1.340 33 residues pruned to eliminate duplicates Z: 52 29.643 1.886 0.831 0.604 0.882 0.549 CB 1.233 52 residues pruned to eliminate duplicates Z: 42 30.634 1.985 0.539 0.709 0.951 0.707 CB 1.361 42 residues pruned to eliminate duplicates Z: 43 31.640 1.956 0.614 0.693 0.976 0.762 CA 1.328 43 residues pruned to eliminate duplicates Z: 46 31.868 1.961 0.604 0.708 0.956 0.711 CB 1.309 46 residues pruned to eliminate duplicates Z: 62 31.565 1.957 0.562 0.572 0.934 0.656 CB 1.319 62 residues pruned to eliminate duplicates Z: 46 25.306 1.896 0.555 0.586 0.911 0.622 CB 1.293 46 residues pruned to eliminate duplicates Z: 46 33.018 1.963 0.604 0.696 0.978 0.622 CA 1.337 46 residues pruned to eliminate duplicates Z: 44 26.826 1.994 0.546 0.589 0.907 0.558 CA 1.344 44 residues pruned to eliminate duplicates Z: 40 28.311 1.942 0.619 0.659 0.974 0.795 CA 1.277 40 residues pruned to eliminate duplicates Z: 81 42.136 1.967 0.723 0.628 0.950 0.637 CB 1.297 81 residues pruned to eliminate duplicates Z: 63 38.223 2.023 0.638 0.648 0.919 0.758 CA 1.389 63 residues pruned to eliminate duplicates Z: 82 41.175 1.987 0.587 0.633 0.975 0.667 CA 1.313 82 residues pruned to eliminate duplicates Z: 24 18.733 2.007 0.538 0.528 0.913 0.565 CA 1.348 24 residues pruned to eliminate duplicates Z: 90 34.473 1.926 0.584 0.537 0.921 0.539 CB 1.253 90 residues pruned to eliminate duplicates Z: 50 29.254 1.980 0.625 0.559 0.939 0.694 CB 1.307 50 residues pruned to eliminate duplicates Z: 64 35.467 2.035 0.553 0.618 0.952 0.698 CA 1.327 64 residues pruned to eliminate duplicates Z: 45 35.376 2.026 0.641 0.648 0.977 0.795 CA 1.429 45 residues pruned to eliminate duplicates Z: 38 22.178 1.981 0.560 0.544 0.919 0.649 CB 1.230 38 residues pruned to eliminate duplicates Z: 32 18.243 1.946 0.405 0.481 0.935 0.710 CB 1.305 32 residues pruned to eliminate duplicates Z: 47 25.191 1.977 0.514 0.539 0.891 0.609 CA 1.340 47 residues pruned to eliminate duplicates Z: 60 28.256 1.955 0.605 0.496 0.915 0.576 CB 1.286 60 residues pruned to eliminate duplicates Z: 63 32.185 1.916 0.658 0.543 0.952 0.661 CB 1.296 63 residues pruned to eliminate duplicates Z: 48 29.195 2.012 0.592 0.540 0.979 0.723 CA 1.307 48 residues pruned to eliminate duplicates Z: 19 10.363 1.861 0.395 0.356 0.889 0.444 CB 1.237 19 residues pruned to eliminate duplicates Z: 31 17.039 1.938 0.447 0.578 0.867 0.667 CB 1.188 31 residues pruned to eliminate duplicates Z: 22 15.528 1.971 0.515 0.526 0.905 0.571 CB 1.222 22 residues pruned to eliminate duplicates Z: 37 20.609 1.898 0.454 0.579 0.917 0.694 CB 1.258 37 residues pruned to eliminate duplicates Z: 48 24.925 1.956 0.600 0.509 0.894 0.596 CB 1.289 48 residues pruned to eliminate duplicates Z: 38 24.485 1.910 0.565 0.617 0.946 0.811 CA 1.274 38 residues pruned to eliminate duplicates Z: 40 21.576 1.928 0.624 0.488 0.872 0.513 CB 1.281 40 residues pruned to eliminate duplicates Z: 31 24.557 1.987 0.596 0.600 1.000 0.700 CA 1.285 31 residues pruned to eliminate duplicates Z: 36 26.795 1.965 0.734 0.591 0.943 0.686 CB 1.292 36 residues pruned to eliminate duplicates Z: 30 26.436 2.015 0.708 0.595 1.000 0.655 CB 1.303 30 residues pruned to eliminate duplicates Z: 31 24.609 1.982 0.699 0.571 1.000 0.700 CB 1.246 31 residues pruned to eliminate duplicates Z: 36 24.492 1.926 0.814 0.555 0.914 0.600 CA 1.229 36 residues pruned to eliminate duplicates Z: 31 26.799 2.010 0.751 0.600 1.000 0.667 CB 1.264 31 residues pruned to eliminate duplicates Z: 39 24.854 1.916 0.644 0.581 0.947 0.658 CB 1.250 39 residues pruned to eliminate duplicates Z: 38 21.370 1.921 0.742 0.520 0.865 0.676 CB 1.190 38 residues pruned to eliminate duplicates Z: 31 24.366 2.011 0.629 0.585 0.967 0.667 CB 1.295 31 residues pruned to eliminate duplicates Z: 33 24.124 1.935 0.746 0.572 0.938 0.688 CB 1.257 33 residues pruned to eliminate duplicates Z: 30 26.012 2.021 0.733 0.600 0.966 0.690 CB 1.299 30 residues pruned to eliminate duplicates Z: 38 26.606 1.931 0.711 0.599 0.973 0.703 CB 1.237 38 residues pruned to eliminate duplicates Z: 31 27.512 2.006 0.720 0.633 1.000 0.700 CA 1.285 31 residues pruned to eliminate duplicates Z: 38 25.740 1.922 0.693 0.580 0.946 0.703 CB 1.273 38 residues pruned to eliminate duplicates Z: 31 25.479 2.005 0.692 0.608 0.933 0.733 CA 1.325 31 residues pruned to eliminate duplicates Z: 31 22.662 1.989 0.719 0.560 0.933 0.700 CB 1.223 31 residues pruned to eliminate duplicates Z: 32 24.551 2.004 0.726 0.587 0.935 0.613 CB 1.254 32 residues pruned to eliminate duplicates Z: 38 25.072 1.950 0.653 0.531 0.973 0.676 CB 1.276 38 residues pruned to eliminate duplicates Z: 62 36.100 1.990 0.818 0.620 0.902 0.574 CB 1.265 62 residues pruned to eliminate duplicates Z: 31 25.507 1.988 0.661 0.597 1.000 0.600 CA 1.285 31 residues pruned to eliminate duplicates Z: 13 7.070 1.565 0.179 0.578 1.000 0.500 CB 1.027 13 residues pruned to eliminate duplicates Z: 28 12.885 1.688 0.577 0.373 0.889 0.519 CB 1.201 28 residues pruned to eliminate duplicates Z: 37 18.652 1.857 0.506 0.451 0.944 0.639 CB 1.238 37 residues pruned to eliminate duplicates Z: 124 38.006 1.871 0.648 0.480 0.894 0.585 CB 1.268 124 residues pruned to eliminate duplicates Z: 39 18.494 1.784 0.523 0.431 0.921 0.684 CB 1.288 39 residues pruned to eliminate duplicates Z: 39 18.751 1.811 0.505 0.455 0.947 0.579 CB 1.234 39 residues pruned to eliminate duplicates Z: 31 19.669 1.863 0.636 0.457 0.933 0.667 CB 1.320 31 residues pruned to eliminate duplicates Z: 13 7.889 1.719 0.459 0.558 0.833 0.750 CA 1.030 13 residues pruned to eliminate duplicates Z: 25 14.143 1.789 0.539 0.366 0.917 0.583 CB 1.322 25 residues pruned to eliminate duplicates Z: 43 18.839 1.851 0.490 0.439 0.929 0.571 CB 1.210 43 residues pruned to eliminate duplicates Z: 36 19.630 1.888 0.454 0.479 0.914 0.600 CA 1.351 36 residues pruned to eliminate duplicates Z: 37 20.565 1.865 0.535 0.449 0.972 0.500 CB 1.297 37 residues pruned to eliminate duplicates Z: 36 16.797 1.766 0.499 0.433 0.914 0.543 CB 1.257 36 residues pruned to eliminate duplicates Z: 45 17.961 1.819 0.434 0.397 0.864 0.545 CB 1.340 45 residues pruned to eliminate duplicates Z: 41 19.329 1.859 0.586 0.438 0.900 0.575 CB 1.228 41 residues pruned to eliminate duplicates Z: 43 20.346 1.806 0.557 0.430 0.905 0.619 CB 1.326 43 residues pruned to eliminate duplicates Z: 43 17.182 1.786 0.557 0.443 0.810 0.524 CB 1.249 43 residues pruned to eliminate duplicates Z: 32 13.893 1.839 0.442 0.351 0.871 0.516 CB 1.270 32 residues pruned to eliminate duplicates Z: 39 20.025 1.830 0.609 0.467 0.921 0.579 CB 1.239 39 residues pruned to eliminate duplicates Z: 38 19.618 1.833 0.581 0.466 0.919 0.568 CB 1.254 38 residues pruned to eliminate duplicates Z: 39 20.625 1.819 0.642 0.454 0.921 0.658 CB 1.275 39 residues pruned to eliminate duplicates Z: 39 15.478 1.816 0.565 0.408 0.816 0.474 CB 1.193 39 residues pruned to eliminate duplicates Z: 37 17.976 1.863 0.576 0.460 0.833 0.528 CB 1.276 37 residues pruned to eliminate duplicates Z: 40 20.859 1.822 0.562 0.460 0.923 0.538 CB 1.324 40 residues pruned to eliminate duplicates Z: 9 9.328 1.723 0.299 0.695 1.000 0.625 CB 1.233 9 residues pruned to eliminate duplicates Z: 42 17.722 1.839 0.509 0.431 0.902 0.512 CB 1.187 42 residues pruned to eliminate duplicates Z: 36 20.132 1.875 0.509 0.467 0.943 0.600 CB 1.320 36 residues pruned to eliminate duplicates Z: 44 20.423 1.769 0.670 0.438 0.907 0.605 CB 1.239 44 residues pruned to eliminate duplicates Z: 40 17.912 1.835 0.598 0.398 0.872 0.513 CB 1.250 40 residues pruned to eliminate duplicates Z: 42 20.366 1.825 0.607 0.429 0.927 0.634 CB 1.259 42 residues pruned to eliminate duplicates Z: 47 17.501 1.793 0.471 0.404 0.891 0.565 CB 1.214 47 residues pruned to eliminate duplicates Z: 42 21.251 1.864 0.576 0.444 0.902 0.610 CB 1.327 42 residues pruned to eliminate duplicates Z: 46 18.274 1.803 0.447 0.417 0.889 0.578 CB 1.280 46 residues pruned to eliminate duplicates Z: 20 14.129 1.865 0.725 0.452 0.895 0.526 CB 1.183 20 residues pruned to eliminate duplicates Z: 50 20.458 1.823 0.587 0.404 0.857 0.510 CB 1.305 50 residues pruned to eliminate duplicates Z: 41 18.798 1.892 0.561 0.414 0.900 0.525 CB 1.223 41 residues pruned to eliminate duplicates Z: 42 17.683 1.853 0.627 0.382 0.829 0.366 CB 1.252 42 residues pruned to eliminate duplicates Z: 89 34.634 1.958 0.630 0.459 0.875 0.580 CB 1.378 89 residues pruned to eliminate duplicates Z: 80 40.602 1.997 0.741 0.482 0.911 0.532 CB 1.468 79 residues pruned to eliminate duplicates Z: 6 6.112 1.753 0.643 0.377 0.800 0.400 CB 1.352 6 residues pruned to eliminate duplicates Z: 83 31.427 1.907 0.513 0.487 0.890 0.610 CB 1.369 83 residues pruned to eliminate duplicates Z: 52 34.129 2.081 0.673 0.519 0.902 0.627 CB 1.493 52 residues pruned to eliminate duplicates Z: 84 36.689 1.969 0.663 0.482 0.892 0.530 CB 1.404 84 residues pruned to eliminate duplicates Z: 7 5.970 1.889 0.591 0.620 0.500 0.000 N 1.448 7 residues pruned to eliminate duplicates Z: 83 37.951 1.984 0.643 0.514 0.915 0.573 CB 1.386 83 residues pruned to eliminate duplicates Z: 62 23.837 1.860 0.590 0.399 0.852 0.492 CB 1.347 62 residues pruned to eliminate duplicates Z: 41 33.003 2.096 0.723 0.586 0.900 0.600 CB 1.479 42 residues pruned to eliminate duplicates Z: 7 4.493 1.808 0.248 0.512 0.667 0.167 CA 1.205 7 residues pruned to eliminate duplicates Z: 19 14.908 2.032 0.539 0.439 0.889 0.444 CB 1.347 19 residues pruned to eliminate duplicates Z: 90 37.901 1.937 0.656 0.482 0.921 0.517 CB 1.383 90 residues pruned to eliminate duplicates Z: 37 25.058 2.041 0.749 0.504 0.833 0.500 CB 1.398 37 residues pruned to eliminate duplicates Z: 51 36.643 2.055 0.690 0.508 0.980 0.520 CB 1.511 51 residues pruned to eliminate duplicates Z: 20 13.907 2.013 0.581 0.426 0.789 0.421 CB 1.372 20 residues pruned to eliminate duplicates Z: 84 36.522 1.970 0.603 0.493 0.928 0.494 CB 1.378 84 residues pruned to eliminate duplicates Z: 40 39.690 2.106 0.847 0.564 0.974 0.590 CB 1.576 40 residues pruned to eliminate duplicates Z: 44 34.462 2.070 0.820 0.535 0.907 0.605 CB 1.486 44 residues pruned to eliminate duplicates Z: 27 26.298 2.059 0.707 0.610 0.885 0.769 CB 1.495 27 residues pruned to eliminate duplicates Z: 43 34.671 2.108 0.718 0.519 0.929 0.619 CB 1.561 43 residues pruned to eliminate duplicates Z: 42 32.667 2.071 0.799 0.540 0.902 0.585 CB 1.459 42 residues pruned to eliminate duplicates Z: 41 36.399 2.156 0.716 0.549 0.950 0.600 CB 1.561 41 residues pruned to eliminate duplicates Z: 41 36.616 2.070 0.748 0.547 0.975 0.575 CB 1.567 41 residues pruned to eliminate duplicates Z: 43 35.425 2.081 0.783 0.538 0.952 0.571 CB 1.490 43 residues pruned to eliminate duplicates Z: 27 35.057 2.064 0.966 0.619 0.962 0.654 CB 1.574 27 residues pruned to eliminate duplicates Z: 41 38.278 2.110 0.872 0.580 0.925 0.550 CB 1.533 41 residues pruned to eliminate duplicates Z: 52 33.572 2.040 0.793 0.496 0.902 0.510 CB 1.431 52 residues pruned to eliminate duplicates Z: 41 39.023 2.087 0.907 0.567 0.925 0.625 CB 1.571 41 residues pruned to eliminate duplicates Z: 34 36.372 2.095 0.949 0.570 0.970 0.636 CB 1.494 34 residues pruned to eliminate duplicates Z: 42 38.074 2.077 0.859 0.559 1.000 0.561 CB 1.454 42 residues pruned to eliminate duplicates Z: 41 36.724 2.054 0.789 0.529 0.975 0.550 CB 1.576 41 residues pruned to eliminate duplicates Z: 43 31.759 2.049 0.813 0.542 0.905 0.476 CB 1.399 43 residues pruned to eliminate duplicates Z: 44 35.148 2.046 0.913 0.543 0.930 0.488 CB 1.412 44 residues pruned to eliminate duplicates Z: 44 35.451 2.085 0.940 0.533 0.860 0.535 CB 1.503 44 residues pruned to eliminate duplicates Z: 39 41.862 2.130 0.973 0.560 0.974 0.605 CB 1.566 39 residues pruned to eliminate duplicates Z: 33 37.196 2.099 1.004 0.575 0.969 0.750 CB 1.501 33 residues pruned to eliminate duplicates Z: 40 28.250 2.012 0.853 0.514 0.846 0.590 CB 1.415 40 residues pruned to eliminate duplicates Z: 34 34.960 2.099 0.974 0.550 0.939 0.576 CB 1.490 34 residues pruned to eliminate duplicates Z: 32 20.207 1.970 0.825 0.496 0.839 0.677 CB 1.208 32 residues pruned to eliminate duplicates Z: 6 8.650 1.842 0.684 0.593 0.800 0.400 CA 1.425 6 residues pruned to eliminate duplicates Z: 37 20.489 1.906 0.617 0.513 0.861 0.639 CB 1.270 33 residues pruned to eliminate duplicates Z: 6 3.260 1.732 0.493 0.280 1.000 0.200 CB 0.724 Z: 16 16.316 1.904 0.529 0.755 0.933 0.733 CB 1.235 16 residues pruned to eliminate duplicates Z: 30 21.239 1.959 0.729 0.521 0.897 0.621 CB 1.273 27 residues pruned to eliminate duplicates Z: 14 16.400 1.871 0.723 0.848 0.923 0.615 CB 1.134 14 residues pruned to eliminate duplicates Z: 32 20.797 1.985 0.689 0.523 0.903 0.452 CB 1.207 32 residues pruned to eliminate duplicates Z: 26 21.036 1.999 0.813 0.574 0.920 0.560 CB 1.174 36 residues pruned to eliminate duplicates Z: 12 16.996 2.010 0.715 0.918 1.000 1.000 CB 1.048 12 residues pruned to eliminate duplicates Z: 34 24.221 1.973 0.773 0.552 0.909 0.606 CB 1.260 34 residues pruned to eliminate duplicates Z: 28 16.027 1.962 0.606 0.552 0.852 0.556 CB 1.093 28 residues pruned to eliminate duplicates Z: 30 16.137 1.933 0.624 0.553 0.931 0.552 CB 0.974 30 residues pruned to eliminate duplicates Z: 35 20.406 1.926 0.671 0.533 0.882 0.588 CB 1.192 35 residues pruned to eliminate duplicates Z: 32 22.150 2.004 0.591 0.535 0.935 0.548 CB 1.288 33 residues pruned to eliminate duplicates Z: 12 17.754 2.059 0.886 0.897 1.000 0.636 CB 0.986 12 residues pruned to eliminate duplicates Z: 26 20.442 1.977 0.683 0.577 0.920 0.760 CB 1.240 26 residues pruned to eliminate duplicates Z: 25 21.198 2.001 0.632 0.594 1.000 0.667 CB 1.211 25 residues pruned to eliminate duplicates Z: 33 23.540 1.968 0.806 0.539 0.906 0.625 CB 1.243 33 residues pruned to eliminate duplicates Z: 32 21.322 2.007 0.588 0.524 0.935 0.581 CB 1.254 31 residues pruned to eliminate duplicates Z: 26 31.056 1.968 0.688 0.815 1.000 0.800 CB 1.422 25 residues pruned to eliminate duplicates Z: 24 28.343 2.064 0.641 0.840 1.000 0.870 CA 1.301 24 residues pruned to eliminate duplicates Z: 26 30.471 2.078 0.777 0.794 0.960 0.760 CA 1.329 26 residues pruned to eliminate duplicates Z: 32 31.372 2.039 0.722 0.728 0.935 0.774 CA 1.397 59 residues pruned to eliminate duplicates Z: 23 32.946 2.069 0.843 0.864 1.000 0.773 CA 1.350 23 residues pruned to eliminate duplicates Z: 28 31.622 2.010 0.847 0.730 0.963 0.704 CA 1.384 28 residues pruned to eliminate duplicates Z: 25 36.311 2.104 0.894 0.824 1.000 0.833 CA 1.406 25 residues pruned to eliminate duplicates Z: 26 32.354 2.059 0.917 0.773 0.960 0.720 CA 1.342 26 residues pruned to eliminate duplicates Z: 26 31.843 2.075 0.900 0.794 0.960 0.760 CA 1.300 26 residues pruned to eliminate duplicates Z: 25 33.931 2.091 0.901 0.803 0.958 0.625 CA 1.395 25 residues pruned to eliminate duplicates Z: 27 33.348 2.060 0.735 0.777 0.962 0.654 CA 1.489 27 residues pruned to eliminate duplicates Z: 26 33.102 2.093 0.862 0.773 0.960 0.640 CA 1.390 26 residues pruned to eliminate duplicates Z: 25 34.903 2.091 0.899 0.820 0.958 0.667 CA 1.419 25 residues pruned to eliminate duplicates Z: 26 35.345 2.090 0.865 0.808 0.960 0.800 CB 1.444 26 residues pruned to eliminate duplicates Z: 33 35.565 2.023 0.891 0.745 1.000 0.656 CB 1.320 34 residues pruned to eliminate duplicates Z: 24 38.402 2.075 0.951 0.872 1.000 0.652 CA 1.442 24 residues pruned to eliminate duplicates Z: 29 36.606 2.049 0.998 0.741 0.929 0.607 CA 1.466 29 residues pruned to eliminate duplicates Z: 26 37.868 2.079 0.992 0.778 0.960 0.680 CA 1.491 26 residues pruned to eliminate duplicates Z: 29 33.614 2.040 0.925 0.728 0.964 0.750 CB 1.365 29 residues pruned to eliminate duplicates Z: 26 31.512 2.073 0.877 0.773 0.960 0.640 CA 1.325 26 residues pruned to eliminate duplicates Z: 27 27.373 2.027 0.813 0.732 0.923 0.423 CA 1.285 27 residues pruned to eliminate duplicates Z: 31 35.232 2.041 0.876 0.747 0.967 0.600 CA 1.394 34 residues pruned to eliminate duplicates Z: 23 29.636 2.089 0.692 0.870 1.000 0.682 CA 1.304 23 residues pruned to eliminate duplicates Z: 38 32.831 2.043 0.790 0.685 0.919 0.595 CB 1.355 38 residues pruned to eliminate duplicates Z: 39 30.420 2.027 0.599 0.727 0.974 0.658 CB 1.275 39 residues pruned to eliminate duplicates Z: 33 29.781 2.050 0.696 0.701 0.969 0.719 CB 1.302 33 residues pruned to eliminate duplicates Z: 42 29.980 1.985 0.759 0.648 0.951 0.537 CB 1.228 42 residues pruned to eliminate duplicates Z: 40 29.431 2.025 0.703 0.697 0.923 0.564 CB 1.237 40 residues pruned to eliminate duplicates Z: 17 10.760 1.814 0.453 0.540 1.000 0.688 CB 0.981 17 residues pruned to eliminate duplicates Z: 18 7.500 1.824 0.149 0.594 0.941 0.471 CB 0.843 18 residues pruned to eliminate duplicates Z: 13 5.644 1.775 0.315 0.327 0.833 0.500 CB 1.013 13 residues pruned to eliminate duplicates Z: 34 24.374 1.964 0.791 0.654 0.939 0.576 CB 1.113 34 residues pruned to eliminate duplicates Z: 19 8.869 1.678 0.473 0.454 1.000 0.389 CB 0.887 19 residues pruned to eliminate duplicates Z: 6 4.259 1.729 0.374 0.464 0.800 0.600 CB 1.040 Z: 7 5.223 1.555 0.653 0.603 0.833 0.667 CB 0.902 4 residues pruned to eliminate duplicates Z: 10 5.035 1.456 0.627 0.475 0.889 0.444 CA 0.817 15 residues pruned to eliminate duplicates Z: 7 3.694 1.472 0.349 0.538 1.000 0.833 CB 0.732 7 residues pruned to eliminate duplicates Z: 46 30.031 1.992 0.674 0.577 0.889 0.711 CA 1.403 144 residues pruned to eliminate duplicates Z: 7 2.821 1.598 0.286 0.296 0.667 0.000 CB 1.056 7 residues pruned to eliminate duplicates Z: 57 27.824 1.957 0.665 0.493 0.893 0.554 CB 1.286 57 residues pruned to eliminate duplicates Z: 43 27.110 2.036 0.607 0.533 0.881 0.571 CB 1.406 43 residues pruned to eliminate duplicates Z: 34 29.329 2.066 0.630 0.556 0.939 0.697 CA 1.529 34 residues pruned to eliminate duplicates Z: 42 26.420 1.907 0.684 0.503 0.902 0.463 CB 1.420 42 residues pruned to eliminate duplicates Z: 43 25.146 1.991 0.660 0.476 0.929 0.548 CB 1.295 43 residues pruned to eliminate duplicates Z: 27 16.904 1.925 0.653 0.344 0.923 0.577 CB 1.337 27 residues pruned to eliminate duplicates Z: 46 26.830 2.022 0.575 0.516 0.889 0.578 CB 1.390 46 residues pruned to eliminate duplicates Z: 38 25.796 1.993 0.605 0.528 0.919 0.541 CB 1.404 38 residues pruned to eliminate duplicates Z: 35 26.103 2.024 0.563 0.547 0.971 0.735 CB 1.393 35 residues pruned to eliminate duplicates Z: 40 29.750 1.973 0.685 0.589 0.949 0.667 CB 1.387 40 residues pruned to eliminate duplicates Z: 41 30.437 1.981 0.690 0.531 0.975 0.650 CB 1.429 41 residues pruned to eliminate duplicates Z: 56 30.301 1.970 0.624 0.505 0.945 0.618 CB 1.343 69 residues pruned to eliminate duplicates Z: 37 27.421 2.004 0.594 0.517 0.972 0.639 CB 1.446 37 residues pruned to eliminate duplicates Z: 40 21.012 1.922 0.657 0.478 0.821 0.590 CB 1.317 40 residues pruned to eliminate duplicates Z: 39 28.630 1.970 0.724 0.526 0.895 0.553 CA 1.489 39 residues pruned to eliminate duplicates Z: 34 30.389 2.043 0.753 0.546 0.939 0.636 CB 1.503 34 residues pruned to eliminate duplicates Z: 42 30.574 1.963 0.803 0.531 0.927 0.561 CA 1.412 42 residues pruned to eliminate duplicates Z: 44 26.302 1.984 0.654 0.496 0.930 0.465 CB 1.319 44 residues pruned to eliminate duplicates Z: 42 26.868 1.983 0.618 0.506 0.878 0.659 CB 1.480 42 residues pruned to eliminate duplicates Z: 36 27.740 2.002 0.782 0.541 0.914 0.600 CB 1.380 36 residues pruned to eliminate duplicates Z: 37 28.806 2.019 0.687 0.556 0.972 0.667 CB 1.372 37 residues pruned to eliminate duplicates Z: 49 25.488 1.915 0.546 0.481 0.896 0.583 CB 1.415 49 residues pruned to eliminate duplicates Z: 39 26.606 1.906 0.782 0.590 0.921 0.579 CB 1.265 39 residues pruned to eliminate duplicates Z: 47 24.368 1.990 0.586 0.484 0.913 0.565 CB 1.267 47 residues pruned to eliminate duplicates Z: 12 11.371 1.826 0.690 0.543 0.909 0.636 CA 1.171 12 residues pruned to eliminate duplicates Z: 40 26.578 1.987 0.721 0.514 0.897 0.718 CB 1.367 40 residues pruned to eliminate duplicates Z: 40 30.510 2.017 0.710 0.525 0.974 0.692 CA 1.419 40 residues pruned to eliminate duplicates Z: 45 29.290 1.995 0.766 0.520 0.932 0.636 CB 1.319 45 residues pruned to eliminate duplicates Z: 84 48.216 2.030 0.853 0.496 0.940 0.602 CB 1.502 84 residues pruned to eliminate duplicates Z: 6 4.785 1.719 1.068 0.256 0.800 0.400 CB 0.995 6 residues pruned to eliminate duplicates Z: 11 10.052 1.994 0.534 0.403 0.900 0.600 CB 1.278 11 residues pruned to eliminate duplicates Z: 83 47.298 2.065 0.764 0.502 0.915 0.573 CA 1.564 83 residues pruned to eliminate duplicates Z: 9 14.254 1.843 1.134 0.543 1.000 0.250 CA 1.229 9 residues pruned to eliminate duplicates Z: 25 15.278 1.897 0.875 0.295 0.792 0.417 CB 1.392 34 residues pruned to eliminate duplicates Z: 81 44.769 2.056 0.745 0.510 0.913 0.588 CB 1.514 81 residues pruned to eliminate duplicates Z: 38 34.767 2.112 0.690 0.512 0.973 0.541 CA 1.627 38 residues pruned to eliminate duplicates Z: 40 23.011 1.971 0.699 0.415 0.821 0.462 CB 1.466 40 residues pruned to eliminate duplicates Z: 42 38.066 2.102 0.850 0.521 0.951 0.610 CB 1.574 42 residues pruned to eliminate duplicates Z: 10 8.642 1.730 0.692 0.470 0.778 0.333 CA 1.304 10 residues pruned to eliminate duplicates Z: 89 42.493 2.027 0.664 0.498 0.932 0.545 CB 1.445 89 residues pruned to eliminate duplicates Z: 43 28.209 2.030 0.621 0.489 0.881 0.548 CB 1.518 43 residues pruned to eliminate duplicates Z: 43 33.502 2.064 0.849 0.482 0.905 0.595 CB 1.524 43 residues pruned to eliminate duplicates Z: 46 29.902 2.038 0.729 0.461 0.867 0.489 CB 1.519 46 residues pruned to eliminate duplicates Z: 6 3.118 1.389 0.459 0.309 0.800 0.800 N 1.064 6 residues pruned to eliminate duplicates Z: 81 45.141 2.060 0.734 0.511 0.938 0.600 CB 1.491 81 residues pruned to eliminate duplicates Z: 6 3.425 1.800 -0.060 0.322 0.800 0.400 CB 1.378 6 residues pruned to eliminate duplicates Z: 42 35.256 2.092 0.828 0.485 0.927 0.610 CB 1.578 42 residues pruned to eliminate duplicates Z: 42 33.230 2.097 0.770 0.471 0.927 0.512 CB 1.553 42 residues pruned to eliminate duplicates Z: 41 37.104 2.119 0.840 0.505 0.925 0.550 CB 1.619 41 residues pruned to eliminate duplicates Z: 43 33.323 2.089 0.752 0.494 0.905 0.548 CB 1.562 43 residues pruned to eliminate duplicates Z: 42 28.850 2.044 0.811 0.442 0.854 0.537 CB 1.513 42 residues pruned to eliminate duplicates Z: 66 34.809 2.005 0.785 0.501 0.862 0.492 CB 1.399 66 residues pruned to eliminate duplicates Z: 43 37.398 2.075 0.875 0.467 0.976 0.571 CB 1.571 43 residues pruned to eliminate duplicates Z: 41 28.573 2.021 0.714 0.427 0.900 0.500 CB 1.563 41 residues pruned to eliminate duplicates Z: 44 32.680 2.062 0.916 0.469 0.860 0.535 CB 1.513 44 residues pruned to eliminate duplicates Z: 41 32.187 2.030 0.881 0.486 0.900 0.450 CB 1.502 41 residues pruned to eliminate duplicates Z: 44 32.519 2.086 0.805 0.449 0.884 0.535 CB 1.570 44 residues pruned to eliminate duplicates Z: 30 34.487 2.106 0.823 0.547 1.000 0.586 CB 1.593 30 residues pruned to eliminate duplicates Z: 40 38.056 2.126 0.759 0.508 1.000 0.564 CB 1.617 40 residues pruned to eliminate duplicates Z: 43 31.831 2.063 0.812 0.486 0.881 0.595 CB 1.512 43 residues pruned to eliminate duplicates Z: 43 34.346 2.066 0.858 0.479 0.905 0.548 CB 1.558 43 residues pruned to eliminate duplicates Z: 33 32.185 2.106 0.827 0.529 0.906 0.562 CB 1.586 33 residues pruned to eliminate duplicates Z: 42 33.921 2.092 0.899 0.463 0.902 0.439 CB 1.534 42 residues pruned to eliminate duplicates Z: 35 31.978 2.049 0.774 0.520 0.971 0.441 CB 1.525 35 residues pruned to eliminate duplicates Z: 43 36.766 2.052 0.959 0.520 0.929 0.500 CB 1.490 43 residues pruned to eliminate duplicates Z: 41 33.293 2.031 0.960 0.456 0.925 0.425 CB 1.495 41 residues pruned to eliminate duplicates Z: 41 37.635 2.098 0.959 0.510 0.925 0.550 CB 1.549 41 residues pruned to eliminate duplicates Z: 42 34.443 2.108 0.794 0.480 0.927 0.390 CB 1.566 42 residues pruned to eliminate duplicates Z: 42 38.913 2.106 0.904 0.489 0.951 0.610 CB 1.611 42 residues pruned to eliminate duplicates Z: 15 14.142 1.651 0.485 0.736 1.000 0.786 CA 1.247 12 residues pruned to eliminate duplicates Z: 14 16.231 1.519 0.711 0.820 1.000 0.769 CA 1.313 15 residues pruned to eliminate duplicates Z: 13 15.600 1.577 0.688 0.850 1.000 0.750 CA 1.253 13 residues pruned to eliminate duplicates Z: 16 11.934 1.574 0.539 0.691 0.933 0.533 CA 1.144 15 residues pruned to eliminate duplicates Z: 12 15.646 1.651 0.684 0.858 1.000 0.636 CA 1.250 15 residues pruned to eliminate duplicates Z: 11 10.494 1.642 0.407 0.864 0.900 0.900 CA 1.170 11 residues pruned to eliminate duplicates Z: 15 14.339 1.631 0.585 0.760 1.000 0.786 CA 1.177 12 residues pruned to eliminate duplicates Z: 12 13.714 1.656 0.569 0.878 1.000 0.727 CA 1.155 12 residues pruned to eliminate duplicates Z: 13 11.316 1.620 0.658 0.704 0.917 0.750 CA 1.102 13 residues pruned to eliminate duplicates Z: 15 9.988 1.614 0.298 0.686 0.929 0.571 CA 1.156 15 residues pruned to eliminate duplicates Z: 15 11.699 1.815 0.778 0.393 0.857 0.429 CB 1.266 15 residues pruned to eliminate duplicates Z: 8 9.902 1.869 0.548 0.388 1.000 0.857 CA 1.456 8 residues pruned to eliminate duplicates Z: 8 11.165 1.813 0.862 0.350 1.000 0.571 CA 1.469 8 residues pruned to eliminate duplicates Z: 43 22.289 1.924 0.766 0.502 0.833 0.500 CB 1.212 41 residues pruned to eliminate duplicates Z: 6 2.295 1.347 0.940 0.426 1.000 0.400 N 0.424 6 residues pruned to eliminate duplicates Z: 41 23.761 1.973 0.691 0.517 0.925 0.550 CB 1.196 41 residues pruned to eliminate duplicates Z: 41 21.849 1.959 0.707 0.485 0.900 0.475 CB 1.166 41 residues pruned to eliminate duplicates Z: 44 21.509 1.956 0.683 0.501 0.907 0.512 CB 1.097 44 residues pruned to eliminate duplicates Z: 52 25.179 1.931 0.630 0.511 0.863 0.627 CB 1.284 55 residues pruned to eliminate duplicates Z: 9 6.077 1.425 0.651 0.536 0.875 0.625 CA 1.008 9 residues pruned to eliminate duplicates Z: 42 22.751 1.982 0.594 0.495 0.902 0.585 CB 1.253 42 residues pruned to eliminate duplicates Z: 39 23.734 1.998 0.691 0.540 0.895 0.632 CB 1.224 39 residues pruned to eliminate duplicates Z: 35 20.220 1.958 0.598 0.479 0.853 0.500 CB 1.326 35 residues pruned to eliminate duplicates Z: 38 27.351 2.000 0.726 0.538 0.973 0.514 CB 1.290 50 residues pruned to eliminate duplicates Z: 10 4.728 1.441 0.363 0.598 0.889 0.667 CB 0.822 10 residues pruned to eliminate duplicates Z: 38 22.610 1.997 0.758 0.474 0.838 0.541 CB 1.297 38 residues pruned to eliminate duplicates Z: 40 22.071 1.991 0.621 0.489 0.872 0.615 CB 1.269 40 residues pruned to eliminate duplicates Z: 38 24.924 1.949 0.652 0.515 0.946 0.459 CB 1.326 38 residues pruned to eliminate duplicates Z: 38 25.201 1.996 0.691 0.545 0.892 0.432 CB 1.317 38 residues pruned to eliminate duplicates Z: 12 21.451 1.954 0.950 0.868 1.000 0.636 CB 1.241 12 residues pruned to eliminate duplicates Z: 16 15.650 2.051 0.724 0.701 0.933 0.667 CB 1.020 16 residues pruned to eliminate duplicates Z: 33 19.479 1.905 0.685 0.517 0.906 0.625 CB 1.164 33 residues pruned to eliminate duplicates Z: 27 18.538 1.948 0.692 0.572 0.885 0.500 CB 1.163 27 residues pruned to eliminate duplicates Z: 30 19.014 1.931 0.664 0.513 0.931 0.517 CB 1.165 30 residues pruned to eliminate duplicates Z: 32 19.782 1.928 0.905 0.530 0.903 0.452 CB 1.039 32 residues pruned to eliminate duplicates Z: 40 22.694 1.942 0.831 0.499 0.872 0.590 CB 1.173 40 residues pruned to eliminate duplicates Z: 36 20.862 1.987 0.709 0.481 0.886 0.429 CB 1.194 36 residues pruned to eliminate duplicates Z: 41 26.071 1.962 0.787 0.516 0.925 0.425 CB 1.251 41 residues pruned to eliminate duplicates Z: 23 21.545 2.014 0.968 0.571 0.909 0.409 CB 1.190 23 residues pruned to eliminate duplicates Z: 41 23.994 1.962 0.811 0.525 0.900 0.475 CB 1.158 41 residues pruned to eliminate duplicates Z: 30 20.849 1.958 0.869 0.518 0.897 0.483 CB 1.159 30 residues pruned to eliminate duplicates Z: 28 21.618 1.988 0.959 0.603 0.963 0.519 CB 1.006 28 residues pruned to eliminate duplicates Z: 33 20.036 1.913 0.870 0.520 0.938 0.625 CB 1.036 33 residues pruned to eliminate duplicates Z: 13 10.084 1.833 0.784 0.436 0.750 0.750 CA 1.268 13 residues pruned to eliminate duplicates Z: 27 16.895 1.863 0.653 0.481 0.923 0.538 CB 1.188 27 residues pruned to eliminate duplicates Z: 12 13.909 1.897 0.848 0.463 0.909 0.545 CB 1.367 12 residues pruned to eliminate duplicates Z: 40 24.357 1.944 0.710 0.548 0.949 0.590 CB 1.179 40 residues pruned to eliminate duplicates Z: 12 9.875 1.940 0.457 0.419 0.909 0.364 CB 1.261 12 residues pruned to eliminate duplicates Z: 12 11.528 1.873 0.750 0.355 0.909 0.364 CB 1.364 12 residues pruned to eliminate duplicates Z: 14 8.571 1.805 0.599 0.328 0.923 0.462 CB 1.077 14 residues pruned to eliminate duplicates Z: 16 6.886 1.665 0.538 0.408 0.800 0.467 CB 0.956 16 residues pruned to eliminate duplicates Z: 17 7.219 1.730 0.530 0.295 0.875 0.375 CB 0.980 17 residues pruned to eliminate duplicates Z: 29 15.608 1.876 0.663 0.485 0.929 0.429 CB 1.033 29 residues pruned to eliminate duplicates Z: 8 8.271 1.737 0.478 0.632 0.857 0.714 CB 1.255 Z: 9 9.007 1.662 0.504 0.755 0.875 0.875 CB 1.160 7 residues pruned to eliminate duplicates Z: 9 7.843 1.682 0.241 0.727 0.875 0.750 O 1.237 9 residues pruned to eliminate duplicates Z: 42 24.174 1.910 0.455 0.603 0.976 0.659 CB 1.263 38 residues pruned to eliminate duplicates Z: 12 13.695 1.691 0.507 0.891 1.000 1.000 CB 1.165 Z: 10 11.978 1.752 0.505 0.926 1.000 0.889 CA 1.061 10 residues pruned to eliminate duplicates Z: 34 15.892 1.790 0.463 0.532 0.909 0.576 CB 1.125 46 residues pruned to eliminate duplicates Z: 21 10.242 1.752 0.427 0.473 0.850 0.550 CB 1.108 21 residues pruned to eliminate duplicates Z: 20 11.423 1.800 0.563 0.585 0.842 0.526 CB 1.019 Z: 12 14.849 1.849 0.721 0.838 0.909 0.909 CB 1.157 16 residues pruned to eliminate duplicates Z: 14 14.279 1.699 0.806 0.834 0.923 0.538 CB 1.048 12 residues pruned to eliminate duplicates Z: 6 4.906 1.526 0.689 0.289 1.000 0.800 CA 1.079 Z: 23 22.867 2.018 0.337 0.863 1.000 0.864 CA 1.326 29 residues pruned to eliminate duplicates Z: 32 23.291 1.945 0.552 0.668 0.903 0.645 CB 1.313 51 residues pruned to eliminate duplicates Z: 23 22.711 2.039 0.287 0.885 1.000 0.909 CA 1.332 24 residues pruned to eliminate duplicates Z: 23 20.544 1.991 0.303 0.855 0.955 0.591 CA 1.305 23 residues pruned to eliminate duplicates Z: 60 28.884 1.886 0.548 0.643 0.949 0.661 CB 1.188 44 residues pruned to eliminate duplicates Z: 24 22.324 1.937 0.415 0.868 0.957 0.826 CA 1.298 24 residues pruned to eliminate duplicates Z: 43 30.671 1.972 0.605 0.711 0.952 0.810 CB 1.296 43 residues pruned to eliminate duplicates Z: 38 25.458 1.932 0.484 0.665 0.973 0.757 CB 1.288 47 residues pruned to eliminate duplicates Z: 23 32.482 2.045 0.707 0.882 1.000 0.864 CA 1.435 30 residues pruned to eliminate duplicates Z: 23 31.633 2.043 0.822 0.857 0.955 0.727 CB 1.398 23 residues pruned to eliminate duplicates Z: 45 29.935 1.930 0.753 0.697 0.909 0.568 CB 1.226 45 residues pruned to eliminate duplicates Z: 31 26.471 1.907 0.776 0.725 0.933 0.567 CB 1.248 25 residues pruned to eliminate duplicates Z: 23 36.651 2.013 1.071 0.879 1.000 0.727 CB 1.359 23 residues pruned to eliminate duplicates Z: 30 31.242 2.031 0.872 0.711 0.931 0.724 CB 1.354 30 residues pruned to eliminate duplicates Z: 39 27.735 1.950 0.684 0.698 0.974 0.632 CB 1.175 31 residues pruned to eliminate duplicates Z: 23 29.577 2.039 0.701 0.871 0.955 0.773 CB 1.389 23 residues pruned to eliminate duplicates Z: 36 22.946 1.899 0.810 0.592 0.914 0.600 CB 1.130 36 residues pruned to eliminate duplicates Z: 31 29.258 2.028 0.761 0.681 0.933 0.633 CB 1.357 31 residues pruned to eliminate duplicates Z: 59 30.372 1.897 0.631 0.653 0.948 0.500 CB 1.179 59 residues pruned to eliminate duplicates Z: 27 25.918 2.020 0.688 0.740 0.962 0.615 CB 1.250 27 residues pruned to eliminate duplicates Z: 25 32.417 2.076 0.764 0.790 1.000 0.583 CB 1.401 25 residues pruned to eliminate duplicates Z: 28 29.984 2.030 0.746 0.709 1.000 0.667 CB 1.346 28 residues pruned to eliminate duplicates Z: 97 38.433 1.948 0.617 0.573 0.906 0.615 CB 1.280 57 residues pruned to eliminate duplicates Z: 24 26.936 2.011 0.772 0.768 1.000 0.565 CB 1.243 24 residues pruned to eliminate duplicates Z: 16 8.001 1.818 0.327 0.442 1.000 0.333 CB 0.909 16 residues pruned to eliminate duplicates Z: 67 29.898 1.934 0.655 0.588 0.924 0.470 CB 1.144 67 residues pruned to eliminate duplicates Z: 36 22.673 1.967 0.642 0.547 0.914 0.571 CB 1.239 36 residues pruned to eliminate duplicates Z: 30 29.980 1.981 0.869 0.690 0.966 0.690 CB 1.308 30 residues pruned to eliminate duplicates Z: 85 38.153 1.978 0.643 0.573 0.952 0.619 CB 1.253 86 residues pruned to eliminate duplicates Z: 6 5.126 1.591 0.115 0.631 1.000 0.800 CB 1.143 6 residues pruned to eliminate duplicates Z: 80 31.949 1.912 0.624 0.544 0.899 0.481 CB 1.234 80 residues pruned to eliminate duplicates Z: 8 4.551 1.761 0.175 0.480 0.714 0.571 CA 1.187 8 residues pruned to eliminate duplicates Z: 44 26.968 2.019 0.564 0.573 0.884 0.744 CB 1.374 44 residues pruned to eliminate duplicates Z: 6 3.385 1.597 0.306 0.610 0.800 0.800 CA 0.817 6 residues pruned to eliminate duplicates Z: 44 31.246 2.050 0.630 0.602 0.953 0.651 CB 1.357 44 residues pruned to eliminate duplicates Z: 45 30.045 2.022 0.587 0.591 0.955 0.727 CB 1.356 45 residues pruned to eliminate duplicates Z: 40 29.806 1.996 0.717 0.599 0.923 0.641 CB 1.373 40 residues pruned to eliminate duplicates Z: 44 29.634 2.020 0.659 0.596 0.884 0.721 CB 1.392 44 residues pruned to eliminate duplicates Z: 6 4.164 1.841 0.044 0.497 1.000 0.800 CB 0.972 6 residues pruned to eliminate duplicates Z: 46 27.750 2.008 0.574 0.589 0.911 0.689 CB 1.319 46 residues pruned to eliminate duplicates Z: 45 25.940 2.029 0.433 0.593 0.886 0.636 CB 1.389 45 residues pruned to eliminate duplicates Z: 47 27.319 2.034 0.666 0.570 0.848 0.674 CB 1.310 47 residues pruned to eliminate duplicates Z: 43 28.267 2.044 0.546 0.586 0.929 0.786 CB 1.369 43 residues pruned to eliminate duplicates Z: 39 29.960 2.071 0.613 0.601 0.947 0.684 CB 1.395 39 residues pruned to eliminate duplicates Z: 46 27.995 2.014 0.553 0.560 0.933 0.689 CB 1.349 45 residues pruned to eliminate duplicates Z: 7 7.103 1.747 0.574 0.631 0.667 0.333 CB 1.398 7 residues pruned to eliminate duplicates Z: 74 30.165 1.960 0.521 0.538 0.918 0.603 CB 1.243 74 residues pruned to eliminate duplicates Z: 37 32.568 2.079 0.831 0.590 0.889 0.667 CB 1.472 39 residues pruned to eliminate duplicates 6 1.929 1.682 0.491 0.290 0.400 0.000 CA 1.089 ? Z: 18 21.807 1.919 0.770 0.736 0.941 0.647 CB 1.339 18 residues pruned to eliminate duplicates Z: 46 30.004 1.991 0.659 0.572 0.956 0.622 CB 1.322 44 residues pruned to eliminate duplicates Z: 14 18.140 1.881 0.478 0.881 1.000 0.923 CA 1.310 14 residues pruned to eliminate duplicates Z: 46 26.752 1.960 0.672 0.580 0.911 0.733 CB 1.237 46 residues pruned to eliminate duplicates Z: 45 29.472 2.031 0.649 0.565 0.932 0.682 CB 1.337 45 residues pruned to eliminate duplicates Z: 51 29.142 2.021 0.606 0.545 0.920 0.660 CB 1.321 51 residues pruned to eliminate duplicates Z: 47 32.040 2.021 0.670 0.565 0.957 0.630 CB 1.374 47 residues pruned to eliminate duplicates Z: 37 33.199 2.094 0.732 0.644 0.944 0.722 CB 1.412 37 residues pruned to eliminate duplicates Z: 47 29.214 2.019 0.569 0.569 0.978 0.652 CB 1.300 47 residues pruned to eliminate duplicates Z: 39 31.033 2.045 0.727 0.586 0.974 0.605 CB 1.348 39 residues pruned to eliminate duplicates Z: 46 30.340 2.023 0.673 0.591 0.911 0.667 CB 1.343 46 residues pruned to eliminate duplicates Z: 15 21.036 1.830 0.842 0.828 1.000 0.643 CB 1.256 15 residues pruned to eliminate duplicates Z: 27 25.686 2.023 0.670 0.650 0.923 0.654 CB 1.405 27 residues pruned to eliminate duplicates Z: 39 31.223 2.054 0.751 0.575 0.947 0.553 CB 1.383 39 residues pruned to eliminate duplicates Z: 6 4.658 1.426 1.041 0.459 1.000 1.000 CA 0.746 6 residues pruned to eliminate duplicates Z: 44 31.921 2.046 0.653 0.579 0.930 0.698 CB 1.435 45 residues pruned to eliminate duplicates Z: 6 6.315 1.815 0.084 0.778 1.000 0.600 CB 1.122 6 residues pruned to eliminate duplicates Z: 37 19.220 1.912 0.529 0.462 0.944 0.667 CB 1.205 37 residues pruned to eliminate duplicates Z: 11 6.768 1.690 0.201 0.629 0.800 0.500 CB 1.167 11 residues pruned to eliminate duplicates Z: 39 21.233 1.870 0.580 0.456 0.974 0.684 CB 1.251 37 residues pruned to eliminate duplicates Z: 13 12.290 1.818 0.570 0.587 1.000 0.667 CB 1.144 13 residues pruned to eliminate duplicates Z: 34 19.274 1.876 0.662 0.441 0.970 0.727 CB 1.179 36 residues pruned to eliminate duplicates Z: 10 7.956 1.548 0.322 0.701 1.000 0.778 CB 1.079 10 residues pruned to eliminate duplicates Z: 36 18.759 1.891 0.646 0.440 0.914 0.600 CB 1.185 36 residues pruned to eliminate duplicates Z: 37 16.886 1.897 0.521 0.447 0.917 0.500 CB 1.123 37 residues pruned to eliminate duplicates Z: 25 14.678 1.830 0.520 0.359 0.917 0.542 CB 1.368 25 residues pruned to eliminate duplicates Z: 49 18.818 1.880 0.511 0.419 0.917 0.604 CB 1.135 53 residues pruned to eliminate duplicates Z: 12 8.039 1.642 0.558 0.385 0.909 0.455 CB 1.177 12 residues pruned to eliminate duplicates Z: 37 17.475 1.885 0.546 0.447 0.917 0.583 CB 1.151 37 residues pruned to eliminate duplicates Z: 36 17.204 1.905 0.520 0.429 0.914 0.743 CB 1.182 36 residues pruned to eliminate duplicates Z: 27 14.161 1.883 0.472 0.422 0.885 0.654 CB 1.227 27 residues pruned to eliminate duplicates Z: 38 18.958 1.905 0.627 0.420 0.946 0.568 CB 1.155 38 residues pruned to eliminate duplicates Z: 30 15.794 1.902 0.646 0.349 0.897 0.724 CB 1.231 30 residues pruned to eliminate duplicates Z: 29 13.153 1.878 0.585 0.403 0.821 0.571 CB 1.126 29 residues pruned to eliminate duplicates Z: 37 19.061 1.908 0.503 0.477 0.917 0.639 CB 1.237 37 residues pruned to eliminate duplicates Z: 33 17.473 1.849 0.611 0.428 0.906 0.500 CB 1.232 33 residues pruned to eliminate duplicates Z: 36 18.169 1.916 0.550 0.447 0.914 0.600 CB 1.194 36 residues pruned to eliminate duplicates Z: 35 16.296 1.898 0.560 0.388 0.882 0.471 CB 1.205 35 residues pruned to eliminate duplicates Z: 36 17.304 1.900 0.584 0.430 0.886 0.543 CB 1.180 36 residues pruned to eliminate duplicates Z: 41 16.844 1.832 0.560 0.422 0.850 0.600 CB 1.189 41 residues pruned to eliminate duplicates Z: 35 19.097 1.908 0.596 0.448 0.941 0.647 CB 1.207 35 residues pruned to eliminate duplicates Z: 38 19.467 1.878 0.590 0.459 0.946 0.568 CB 1.182 38 residues pruned to eliminate duplicates Z: 39 16.798 1.900 0.458 0.423 0.895 0.632 CB 1.191 39 residues pruned to eliminate duplicates Z: 37 21.725 1.903 0.621 0.485 0.972 0.583 CB 1.226 37 residues pruned to eliminate duplicates Z: 8 7.955 1.637 0.590 0.874 1.000 0.429 CB 0.841 8 residues pruned to eliminate duplicates Z: 39 14.372 1.874 0.514 0.405 0.789 0.605 CB 1.151 39 residues pruned to eliminate duplicates Z: 35 18.380 1.868 0.607 0.387 0.941 0.588 CB 1.258 35 residues pruned to eliminate duplicates Z: 16 14.260 1.894 0.640 0.568 1.000 0.467 CB 1.110 16 residues pruned to eliminate duplicates Z: 8 7.256 1.516 0.694 0.543 1.000 0.429 CA 1.024 8 residues pruned to eliminate duplicates Z: 39 16.427 1.869 0.567 0.375 0.868 0.658 CB 1.197 39 residues pruned to eliminate duplicates Z: 15 9.291 1.767 0.360 0.477 1.000 0.429 CB 1.058 15 residues pruned to eliminate duplicates Z: 15 8.787 1.837 0.332 0.440 0.929 0.500 CB 1.100 14 residues pruned to eliminate duplicates Z: 7 4.141 1.177 0.667 0.517 1.000 0.333 CA 0.847 7 residues pruned to eliminate duplicates Z: 85 24.913 1.782 0.505 0.514 0.869 0.548 CB 1.150 85 residues pruned to eliminate duplicates Z: 6 2.496 1.528 0.153 0.369 0.800 0.400 N 0.911 6 residues pruned to eliminate duplicates Z: 14 6.527 1.792 0.384 0.367 0.769 0.462 CA 1.095 14 residues pruned to eliminate duplicates Z: 17 8.977 1.744 0.526 0.373 0.938 0.500 CB 1.031 19 residues pruned to eliminate duplicates Z: 23 24.295 1.915 0.603 0.819 1.000 0.909 CA 1.279 23 residues pruned to eliminate duplicates Z: 36 22.025 1.880 0.458 0.694 0.886 0.714 CB 1.285 36 residues pruned to eliminate duplicates Z: 34 19.289 1.858 0.408 0.639 0.939 0.818 CA 1.199 34 residues pruned to eliminate duplicates Z: 30 19.636 1.880 0.447 0.736 0.931 0.759 CA 1.165 30 residues pruned to eliminate duplicates Z: 78 34.541 1.911 0.539 0.618 0.935 0.675 CB 1.281 78 residues pruned to eliminate duplicates Z: 34 26.965 1.939 0.569 0.670 1.000 0.727 CB 1.319 34 residues pruned to eliminate duplicates Z: 30 22.470 1.854 0.608 0.674 0.966 0.724 CB 1.234 30 residues pruned to eliminate duplicates Z: 35 25.877 1.946 0.618 0.715 0.971 0.618 CB 1.195 35 residues pruned to eliminate duplicates Z: 30 25.554 1.965 0.614 0.756 0.931 0.759 CB 1.280 30 residues pruned to eliminate duplicates Z: 59 24.570 1.868 0.547 0.557 0.914 0.655 CB 1.156 59 residues pruned to eliminate duplicates Z: 33 26.314 1.922 0.637 0.667 1.000 0.562 CB 1.267 33 residues pruned to eliminate duplicates Z: 25 21.706 1.942 0.644 0.750 0.875 0.708 CB 1.269 25 residues pruned to eliminate duplicates Z: 65 31.501 1.920 0.484 0.607 0.953 0.688 CB 1.309 65 residues pruned to eliminate duplicates Z: 24 25.949 1.959 0.726 0.827 0.913 0.739 CA 1.321 24 residues pruned to eliminate duplicates Z: 25 22.867 1.944 0.663 0.830 0.917 0.833 CA 1.184 25 residues pruned to eliminate duplicates Z: 76 32.076 1.921 0.549 0.601 0.907 0.653 CB 1.247 76 residues pruned to eliminate duplicates Z: 28 26.922 1.879 0.748 0.748 1.000 0.704 CA 1.265 28 residues pruned to eliminate duplicates Z: 25 21.318 1.941 0.614 0.793 0.917 0.667 CA 1.173 25 residues pruned to eliminate duplicates Z: 29 24.594 1.923 0.572 0.780 0.964 0.750 CA 1.246 29 residues pruned to eliminate duplicates Z: 25 25.428 1.931 0.778 0.788 0.958 0.708 CA 1.225 25 residues pruned to eliminate duplicates Z: 30 24.183 1.903 0.563 0.766 0.931 0.655 CA 1.281 30 residues pruned to eliminate duplicates Z: 37 27.920 1.939 0.630 0.711 0.972 0.722 CB 1.251 37 residues pruned to eliminate duplicates Z: 78 32.594 1.894 0.492 0.605 0.961 0.623 CB 1.237 78 residues pruned to eliminate duplicates Z: 65 30.374 1.912 0.483 0.607 0.969 0.656 CB 1.249 65 residues pruned to eliminate duplicates Z: 78 35.587 1.903 0.563 0.623 0.948 0.636 CB 1.280 78 residues pruned to eliminate duplicates Z: 76 35.385 1.933 0.511 0.609 0.960 0.640 CB 1.314 76 residues pruned to eliminate duplicates Z: 36 22.308 1.880 0.621 0.626 0.914 0.657 CA 1.202 36 residues pruned to eliminate duplicates Z: 9 8.250 1.926 0.350 0.401 0.875 0.750 CB 1.422 9 residues pruned to eliminate duplicates Z: 54 25.251 1.919 0.478 0.552 0.906 0.679 CB 1.284 54 residues pruned to eliminate duplicates Z: 52 26.434 1.917 0.516 0.572 0.902 0.725 CB 1.317 52 residues pruned to eliminate duplicates Z: 78 32.232 1.923 0.481 0.606 0.948 0.662 CB 1.230 78 residues pruned to eliminate duplicates Z: 52 24.635 1.918 0.520 0.536 0.922 0.647 CB 1.239 52 residues pruned to eliminate duplicates Z: 59 26.363 1.890 0.587 0.551 0.931 0.586 CB 1.179 59 residues pruned to eliminate duplicates Z: 53 23.401 1.909 0.531 0.506 0.885 0.635 CB 1.247 53 residues pruned to eliminate duplicates Z: 52 23.298 1.910 0.497 0.502 0.902 0.725 CB 1.263 52 residues pruned to eliminate duplicates Z: 56 27.544 1.900 0.511 0.597 0.945 0.636 CA 1.248 56 residues pruned to eliminate duplicates Z: 52 22.361 1.885 0.525 0.480 0.902 0.569 CB 1.232 52 residues pruned to eliminate duplicates Z: 74 31.690 1.901 0.525 0.605 0.918 0.685 CB 1.262 74 residues pruned to eliminate duplicates Z: 45 18.214 1.912 0.508 0.479 0.795 0.636 CB 1.223 45 residues pruned to eliminate duplicates Z: 43 22.181 1.901 0.535 0.577 0.881 0.690 CB 1.236 43 residues pruned to eliminate duplicates Z: 25 15.015 1.924 0.419 0.473 0.833 0.625 CB 1.385 25 residues pruned to eliminate duplicates Z: 37 24.445 1.902 0.537 0.591 0.944 0.694 CB 1.352 37 residues pruned to eliminate duplicates Z: 14 13.506 2.028 0.567 0.510 0.846 0.769 CB 1.379 14 residues pruned to eliminate duplicates Z: 17 13.896 1.898 0.521 0.539 0.875 0.688 CA 1.324 17 residues pruned to eliminate duplicates Z: 32 22.707 1.957 0.617 0.590 0.871 0.645 CB 1.357 32 residues pruned to eliminate duplicates Z: 37 24.387 1.946 0.470 0.627 0.944 0.722 CB 1.335 37 residues pruned to eliminate duplicates Z: 38 20.530 1.894 0.486 0.489 0.919 0.703 CB 1.319 38 residues pruned to eliminate duplicates Z: 40 21.472 1.867 0.435 0.553 0.974 0.769 CB 1.251 40 residues pruned to eliminate duplicates Z: 38 24.495 1.929 0.689 0.580 0.865 0.703 CB 1.324 38 residues pruned to eliminate duplicates Z: 20 9.549 1.948 0.462 0.292 0.737 0.579 CB 1.319 20 residues pruned to eliminate duplicates Z: 14 12.904 2.003 0.435 0.483 0.923 0.769 CB 1.371 14 residues pruned to eliminate duplicates Z: 38 22.660 1.947 0.563 0.553 0.892 0.649 CB 1.304 38 residues pruned to eliminate duplicates Z: 39 23.995 1.937 0.547 0.609 0.842 0.658 CB 1.391 39 residues pruned to eliminate duplicates Z: 38 21.659 1.911 0.389 0.594 0.919 0.595 CB 1.334 38 residues pruned to eliminate duplicates Z: 38 24.106 1.871 0.622 0.540 0.946 0.595 CB 1.328 38 residues pruned to eliminate duplicates Z: 39 20.883 1.876 0.550 0.545 0.895 0.658 CB 1.246 39 residues pruned to eliminate duplicates Z: 43 20.640 1.872 0.484 0.473 0.905 0.595 CB 1.302 43 residues pruned to eliminate duplicates Z: 22 22.232 1.907 0.509 0.733 1.000 0.667 CB 1.367 22 residues pruned to eliminate duplicates Z: 19 18.952 1.929 0.678 0.697 0.944 0.667 CB 1.221 19 residues pruned to eliminate duplicates Z: 49 22.507 1.863 0.509 0.558 0.896 0.667 CB 1.220 49 residues pruned to eliminate duplicates Z: 29 20.090 1.898 0.562 0.596 0.929 0.714 CB 1.258 29 residues pruned to eliminate duplicates Z: 39 25.484 1.936 0.567 0.571 0.947 0.711 CB 1.343 39 residues pruned to eliminate duplicates Z: 23 15.852 1.842 0.560 0.602 0.818 0.636 CB 1.304 23 residues pruned to eliminate duplicates Z: 34 26.177 1.936 0.719 0.569 0.939 0.636 CB 1.363 34 residues pruned to eliminate duplicates Z: 38 24.140 1.918 0.705 0.552 0.946 0.622 CB 1.219 38 residues pruned to eliminate duplicates Z: 38 25.061 1.926 0.692 0.547 0.892 0.541 CB 1.353 38 residues pruned to eliminate duplicates Z: 39 27.394 1.934 0.734 0.558 0.947 0.579 CB 1.322 39 residues pruned to eliminate duplicates Z: 43 23.232 1.859 0.608 0.509 0.929 0.476 CB 1.280 43 residues pruned to eliminate duplicates Z: 39 22.472 1.869 0.652 0.530 0.947 0.500 CB 1.210 39 residues pruned to eliminate duplicates Z: 38 23.670 1.923 0.602 0.571 0.892 0.649 CB 1.322 38 residues pruned to eliminate duplicates Z: 38 24.121 1.927 0.562 0.567 0.946 0.649 CB 1.305 38 residues pruned to eliminate duplicates Z: 36 25.698 1.944 0.745 0.599 0.886 0.543 CB 1.316 36 residues pruned to eliminate duplicates Z: 24 23.908 1.890 0.676 0.702 0.957 0.609 CB 1.369 24 residues pruned to eliminate duplicates Z: 38 25.460 1.937 0.601 0.597 0.919 0.649 CB 1.339 38 residues pruned to eliminate duplicates Z: 41 25.765 1.889 0.713 0.576 0.925 0.550 CB 1.264 41 residues pruned to eliminate duplicates Z: 14 11.513 1.895 0.457 0.713 0.923 0.538 CB 1.033 14 residues pruned to eliminate duplicates Z: 33 17.664 1.843 0.521 0.567 0.906 0.688 CB 1.152 33 residues pruned to eliminate duplicates Z: 16 12.692 1.849 0.889 0.604 0.867 0.667 CB 0.980 16 residues pruned to eliminate duplicates Z: 27 15.106 1.866 0.609 0.591 0.846 0.538 CB 1.069 27 residues pruned to eliminate duplicates Z: 19 13.351 1.854 0.601 0.621 0.889 0.444 CB 1.064 19 residues pruned to eliminate duplicates Z: 17 13.614 1.892 0.807 0.673 0.875 0.688 CB 0.970 17 residues pruned to eliminate duplicates Z: 17 15.540 1.823 0.813 0.662 0.938 0.375 CB 1.079 17 residues pruned to eliminate duplicates Z: 26 16.388 1.812 0.774 0.587 0.840 0.640 CB 1.118 26 residues pruned to eliminate duplicates Z: 52 20.632 1.782 0.620 0.547 0.882 0.529 CB 1.083 52 residues pruned to eliminate duplicates Z: 30 14.401 1.720 0.559 0.527 0.897 0.414 CB 1.083 30 residues pruned to eliminate duplicates Z: 26 16.583 1.758 0.757 0.626 0.880 0.560 CB 1.084 26 residues pruned to eliminate duplicates Z: 44 16.056 1.709 0.533 0.505 0.837 0.488 CB 1.111 115 residues pruned to eliminate duplicates Z: 12 16.428 1.929 1.064 0.840 0.909 0.636 CB 1.021 12 residues pruned to eliminate duplicates Z: 38 15.522 1.802 0.614 0.518 0.892 0.514 CB 0.967 38 residues pruned to eliminate duplicates Z: 23 18.340 1.916 0.797 0.621 0.955 0.636 CB 1.062 23 residues pruned to eliminate duplicates Z: 25 14.901 1.812 0.493 0.472 0.917 0.542 CB 1.261 25 residues pruned to eliminate duplicates Z: 11 9.042 1.831 0.433 0.336 0.900 0.500 CA 1.448 11 residues pruned to eliminate duplicates Z: 12 6.875 1.830 0.411 0.297 0.909 0.455 CB 1.107 12 residues pruned to eliminate duplicates Z: 14 8.701 1.648 0.624 0.286 0.846 0.615 CA 1.357 14 residues pruned to eliminate duplicates Z: 25 11.963 1.778 0.345 0.437 0.875 0.542 CB 1.246 25 residues pruned to eliminate duplicates Z: 45 15.952 1.752 0.373 0.450 0.909 0.477 CB 1.158 45 residues pruned to eliminate duplicates Z: 20 12.858 1.761 0.427 0.537 1.000 0.579 CB 1.132 20 residues pruned to eliminate duplicates Z: 42 17.269 1.774 0.466 0.558 0.951 0.512 CB 1.031 42 residues pruned to eliminate duplicates Z: 29 16.237 1.822 0.773 0.542 0.893 0.500 CB 1.021 29 residues pruned to eliminate duplicates Z: 30 11.734 1.719 0.369 0.403 0.862 0.517 CB 1.190 30 residues pruned to eliminate duplicates Z: 25 9.474 1.670 0.193 0.452 0.917 0.542 CB 1.112 25 residues pruned to eliminate duplicates Z: 23 7.929 1.628 0.215 0.459 0.909 0.500 CB 0.980 23 residues pruned to eliminate duplicates Z: 20 7.300 1.618 0.195 0.490 0.842 0.474 CB 1.039 20 residues pruned to eliminate duplicates Z: 24 12.148 1.662 0.388 0.499 0.913 0.522 CB 1.204 24 residues pruned to eliminate duplicates Z: 17 9.336 1.660 0.419 0.535 0.938 0.500 CB 1.021 17 residues pruned to eliminate duplicates Z: 15 8.722 1.683 0.382 0.565 0.929 0.429 CB 1.014 15 residues pruned to eliminate duplicates Z: 21 12.331 1.648 0.279 0.568 1.000 0.600 CB 1.225 21 residues pruned to eliminate duplicates Z: 28 10.632 1.662 0.388 0.422 0.852 0.481 CB 1.130 28 residues pruned to eliminate duplicates Z: 23 11.850 1.695 0.340 0.491 0.909 0.500 CB 1.234 23 residues pruned to eliminate duplicates Z: 95 32.364 1.851 0.492 0.575 0.926 0.564 CB 1.214 95 residues pruned to eliminate duplicates Z: 44 24.006 1.830 0.382 0.668 0.977 0.651 CB 1.269 44 residues pruned to eliminate duplicates Z: 48 24.758 1.789 0.418 0.645 0.979 0.702 CB 1.271 48 residues pruned to eliminate duplicates Z: 38 20.518 1.764 0.516 0.518 0.973 0.622 CB 1.274 38 residues pruned to eliminate duplicates Z: 20 9.922 1.648 0.279 0.530 0.895 0.421 CB 1.171 20 residues pruned to eliminate duplicates Z: 23 12.267 1.652 0.258 0.581 0.955 0.455 CB 1.220 23 residues pruned to eliminate duplicates 1135 residues left after pruning, divided into chains as follows: A: 7 B: 10 C: 36 D: 40 E: 39 F: 116 G: 42 H: 159 I: 45 J: 182 K: 23 L: 128 M: 13 N: 114 O: 36 P: 145 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 37.16 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.508, Connect. = 0.743 for dens.mod. cycle 1 = 0.300, Contrast = 0.595, Connect. = 0.769 for dens.mod. cycle 2 = 0.300, Contrast = 0.721, Connect. = 0.793 for dens.mod. cycle 3 = 0.300, Contrast = 0.744, Connect. = 0.794 for dens.mod. cycle 4 = 0.300, Contrast = 0.763, Connect. = 0.796 for dens.mod. cycle 5 = 0.300, Contrast = 0.771, Connect. = 0.798 for dens.mod. cycle 6 = 0.300, Contrast = 0.778, Connect. = 0.799 for dens.mod. cycle 7 = 0.300, Contrast = 0.781, Connect. = 0.800 for dens.mod. cycle 8 = 0.300, Contrast = 0.784, Connect. = 0.801 for dens.mod. cycle 9 = 0.300, Contrast = 0.785, Connect. = 0.802 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 4.95 - 3.93 - 3.44 - 3.13 - 2.90 - 2.73 - 2.60 - 2.48 - 2.39 - 2.30 0.774 0.777 0.755 0.736 0.712 0.680 0.684 0.685 0.663 0.608 0.886 0.881 0.868 0.860 0.845 0.806 0.816 0.822 0.803 0.735 N 7896 7972 7815 7790 8157 7857 7524 8393 7488 7691 Estimated mean FOM = 0.708 Pseudo-free CC = 72.76 % Best trace (cycle 1 with CC 40.43%) was saved as ./2anu-2.3-parrot-hancs/2anu-2.3-parrot-hancs.pdb ============================================================================== CPU times required in seconds ----------------------------- 2.9 - Setup, data input and phasing 48.0 - FFTs and peak-searches 66.2 - Sphere of influence 0.8 - Rest of density modification 0.0 - Alpha-helix search 1564.9 - Tripeptide search 20189.1 - Chain tracing 0.0 - NCS analysis 98.1 - B-value refinement for trace 1.1 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 21:43:36 Total time: 21971.13 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 368.65 Used memory is bytes: 79434224