++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 15:02:00 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: ./2hx1-2.1-parrot-hancs/2hx1-2.1-parrot-hancs.phi -a -n -t20 Cell and symmetry only from ./2hx1-2.1-parrot-hancs/2hx1-2.1-parrot-hancs.ins Phases from ./2hx1-2.1-parrot-hancs/2hx1-2.1-parrot-hancs.phi Native data from ./2hx1-2.1-parrot-hancs/2hx1-2.1-parrot-hancs.hkl Listing output to ./2hx1-2.1-parrot-hancs/2hx1-2.1-parrot-hancs.lst Phases output to ./2hx1-2.1-parrot-hancs/2hx1-2.1-parrot-hancs.phs Poly-Ala trace output to ./2hx1-2.1-parrot-hancs/2hx1-2.1-parrot-hancs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 21 21 21 Allowed origin shift code: 4 70128 Reflections read from file ./2hx1-2.1-parrot-hancs/2hx1-2.1-parrot-hancs.phi 70128 Reflections read from file ./2hx1-2.1-parrot-hancs/2hx1-2.1-parrot-hancs.hkl 70128 Unique data, highest resolution = 2.100 Angstroms Anisotropic scaling: intensities multiplied by -0.000189h^2 +0.000017k^2 +0.000047l^2 +0.000000kl +0.000000hl +0.000000hk 43 Reflections with d > 2.300 and 0 in range 2.300 > d > 2.100 added Density sharpening factor set to 0.60 Fourier grid = 128 x 256 x 55 0.000 <= z <= 0.250 92 Point spherical net set up with radius 2.42A 24 Extra Fourier layers will be generated <|E^2-1|> = 0.820 = 0.300, Contrast = 0.343, Connect. = 0.703 for dens.mod. cycle 1 = 0.300, Contrast = 0.413, Connect. = 0.723 for dens.mod. cycle 2 = 0.300, Contrast = 0.484, Connect. = 0.745 for dens.mod. cycle 3 = 0.300, Contrast = 0.503, Connect. = 0.753 for dens.mod. cycle 4 = 0.300, Contrast = 0.515, Connect. = 0.758 for dens.mod. cycle 5 = 0.300, Contrast = 0.523, Connect. = 0.761 for dens.mod. cycle 6 = 0.300, Contrast = 0.529, Connect. = 0.764 for dens.mod. cycle 7 = 0.300, Contrast = 0.532, Connect. = 0.766 for dens.mod. cycle 8 = 0.300, Contrast = 0.535, Connect. = 0.767 for dens.mod. cycle 9 = 0.300, Contrast = 0.538, Connect. = 0.767 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 5123 peaks > 0.5 sigma used to seed fragment search Space for about 1304 unique residues taking solvent into account 1286 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 10 20.440 1.898 1.505 0.903 0.889 0.444 CB 1.149 B: 12 19.444 1.902 0.851 0.870 0.909 0.909 CA 1.337 C: 15 25.206 1.930 0.831 0.861 1.000 0.643 CA 1.401 12 residues pruned to eliminate duplicates D: 14 36.625 2.131 0.948 0.940 1.000 0.923 CA 1.698 E: 14 26.052 2.099 0.789 0.884 1.000 0.615 CB 1.391 F: 15 30.106 2.023 0.805 0.913 1.000 0.857 CA 1.560 15 residues pruned to eliminate duplicates G: 14 23.537 1.974 0.794 0.896 0.923 0.692 CA 1.430 14 residues pruned to eliminate duplicates H: 16 28.956 1.987 0.765 0.873 1.000 0.733 CA 1.552 16 residues pruned to eliminate duplicates I: 14 27.154 2.005 0.967 0.904 1.000 0.769 CA 1.360 15 residues pruned to eliminate duplicates J: 11 23.497 2.042 1.178 0.890 1.000 0.700 CB 1.202 9 residues pruned to eliminate duplicates K: 12 21.505 2.021 0.864 0.899 1.000 0.727 CB 1.230 12 residues pruned to eliminate duplicates L: 14 30.327 2.082 0.823 0.919 1.000 0.923 CA 1.562 14 residues pruned to eliminate duplicates M: 17 20.508 1.933 0.488 0.905 1.000 0.875 CA 1.269 N: 15 12.116 1.774 0.432 0.885 0.929 0.714 CB 0.991 O: 13 19.812 1.965 0.754 0.908 1.000 0.667 CA 1.179 P: 14 34.811 2.134 0.919 0.927 1.000 1.000 CA 1.652 14 residues pruned to eliminate duplicates Q: 15 21.604 1.983 0.468 0.930 0.929 0.857 CA 1.494 R: 15 20.986 1.902 1.027 0.840 0.929 0.571 CB 1.170 12 residues pruned to eliminate duplicates S: 16 30.803 1.999 0.790 0.896 1.000 0.733 CA 1.591 16 residues pruned to eliminate duplicates T: 15 22.909 1.922 0.956 0.862 1.000 0.571 CB 1.195 15 residues pruned to eliminate duplicates U: 9 21.186 2.044 1.108 0.907 0.875 0.250 CA 1.412 9 residues pruned to eliminate duplicates V: 21 16.709 1.705 0.565 0.544 1.000 0.750 CB 1.341 W: 9 17.336 2.015 0.969 0.896 1.000 0.875 CB 1.107 X: 11 25.489 2.079 1.124 0.886 1.000 0.600 CB 1.317 11 residues pruned to eliminate duplicates Y: 11 23.900 2.118 0.999 0.907 1.000 0.600 CB 1.269 13 residues pruned to eliminate duplicates Z: 16 31.924 1.958 1.064 0.881 1.000 0.667 CA 1.477 16 residues pruned to eliminate duplicates Z: 15 32.945 2.107 0.782 0.879 1.000 0.786 CA 1.701 15 residues pruned to eliminate duplicates Z: 15 20.153 1.868 0.646 0.910 1.000 0.786 CA 1.243 Z: 13 20.670 1.977 0.706 0.935 1.000 0.917 CB 1.232 Z: 16 25.356 1.975 0.757 0.873 1.000 0.600 CB 1.374 14 residues pruned to eliminate duplicates Z: 16 22.642 1.939 0.808 0.863 0.933 0.667 CB 1.311 16 residues pruned to eliminate duplicates Z: 13 21.085 2.035 0.665 0.872 0.917 0.833 CB 1.428 Z: 13 21.961 1.885 0.915 0.834 1.000 0.667 CA 1.316 Z: 12 14.280 2.014 0.550 0.911 0.909 0.545 CB 1.076 Z: 11 16.204 2.022 0.776 0.891 0.900 0.800 CB 1.140 12 residues pruned to eliminate duplicates Z: 14 20.744 1.982 0.656 0.885 0.923 0.615 CB 1.370 13 residues pruned to eliminate duplicates Z: 15 18.662 1.906 0.590 0.856 0.929 0.643 CB 1.307 13 residues pruned to eliminate duplicates Z: 16 29.698 1.983 1.018 0.861 0.933 0.533 CA 1.509 16 residues pruned to eliminate duplicates Z: 13 19.060 1.935 0.678 0.930 1.000 0.917 CB 1.185 13 residues pruned to eliminate duplicates Z: 17 9.979 1.775 0.580 0.365 0.938 0.625 CB 1.097 Z: 13 17.065 1.963 0.538 0.830 0.917 0.750 CA 1.338 Z: 24 14.703 1.752 0.612 0.477 0.870 0.609 CB 1.278 Z: 17 18.140 1.901 0.440 0.877 1.000 0.812 CA 1.203 17 residues pruned to eliminate duplicates Z: 12 7.318 1.617 0.677 0.463 0.818 0.636 CA 1.033 12 residues pruned to eliminate duplicates Z: 10 16.052 1.811 0.938 0.808 0.889 0.778 CA 1.312 10 residues pruned to eliminate duplicates Z: 6 6.775 1.892 0.528 0.682 0.800 0.600 CB 1.108 Z: 10 9.844 1.803 0.449 0.445 0.889 0.556 CA 1.495 Z: 12 9.923 1.926 0.390 0.432 0.818 0.636 CB 1.465 Z: 11 20.791 2.000 0.798 0.852 1.000 0.500 CB 1.353 11 residues pruned to eliminate duplicates Z: 15 16.041 1.677 0.752 0.767 1.000 0.500 CA 1.151 Z: 13 19.529 1.925 0.728 0.933 1.000 0.917 CB 1.183 13 residues pruned to eliminate duplicates Z: 35 18.428 1.931 0.423 0.506 0.912 0.647 CB 1.254 25 residues pruned to eliminate duplicates Z: 7 9.482 1.790 0.627 0.768 0.833 0.500 CB 1.258 Z: 10 12.268 1.735 0.819 0.916 1.000 0.778 CB 0.915 10 residues pruned to eliminate duplicates Z: 14 16.788 1.875 0.505 0.922 1.000 0.846 CB 1.161 15 residues pruned to eliminate duplicates Z: 12 17.893 1.956 0.747 0.909 1.000 0.545 CB 1.120 12 residues pruned to eliminate duplicates Z: 14 25.569 1.900 0.869 0.911 1.000 0.769 CA 1.415 Z: 15 13.655 1.832 0.305 0.778 1.000 0.571 CB 1.194 15 residues pruned to eliminate duplicates Z: 15 30.001 2.088 0.962 0.903 1.000 0.643 CB 1.394 14 residues pruned to eliminate duplicates Z: 17 34.825 1.975 1.104 0.930 1.000 0.750 CA 1.465 24 residues pruned to eliminate duplicates Z: 16 19.435 1.913 0.610 0.887 1.000 1.000 CA 1.175 Z: 12 11.128 1.673 0.268 0.891 1.000 0.818 CA 1.137 Z: 14 15.161 1.725 0.495 0.750 1.000 0.615 CA 1.305 14 residues pruned to eliminate duplicates Z: 15 26.101 1.951 0.872 0.880 1.000 0.786 CA 1.384 15 residues pruned to eliminate duplicates Z: 8 4.657 1.688 0.758 0.358 0.571 0.429 CB 1.210 Z: 14 19.262 1.930 0.602 0.929 0.923 0.846 CB 1.310 13 residues pruned to eliminate duplicates Z: 12 15.820 1.849 0.506 0.916 1.000 0.909 CB 1.209 Z: 13 18.936 1.806 0.794 0.808 1.000 0.833 CA 1.290 13 residues pruned to eliminate duplicates Z: 13 23.738 2.038 0.595 0.925 1.000 0.833 CB 1.479 13 residues pruned to eliminate duplicates Z: 13 28.518 2.056 0.827 0.940 0.917 0.500 CA 1.660 13 residues pruned to eliminate duplicates Z: 13 18.473 1.950 0.895 0.906 0.917 0.833 CA 1.119 13 residues pruned to eliminate duplicates Z: 15 32.915 2.054 1.191 0.920 1.000 0.857 CB 1.377 16 residues pruned to eliminate duplicates Z: 12 18.546 1.966 0.634 0.888 1.000 0.636 CB 1.254 Z: 12 17.460 1.977 0.451 0.920 1.000 0.818 CA 1.292 12 residues pruned to eliminate duplicates Z: 16 28.313 2.025 1.050 0.882 1.000 0.800 CA 1.275 16 residues pruned to eliminate duplicates Z: 12 21.355 1.765 1.194 0.923 1.000 0.727 CB 1.169 Z: 13 17.244 1.939 0.656 0.933 1.000 0.917 CB 1.082 13 residues pruned to eliminate duplicates Z: 15 27.643 2.006 0.866 0.903 1.000 0.500 CA 1.407 14 residues pruned to eliminate duplicates Z: 25 27.993 2.017 0.961 0.685 0.875 0.667 CA 1.393 15 residues pruned to eliminate duplicates Z: 6 5.642 1.744 0.321 0.787 0.800 0.800 CB 1.064 6 residues pruned to eliminate duplicates Z: 15 16.662 1.766 0.872 0.879 0.857 0.643 CB 1.139 15 residues pruned to eliminate duplicates Z: 15 21.292 1.780 1.111 0.802 0.929 0.571 CB 1.253 Z: 15 30.387 1.910 1.141 0.871 1.000 0.357 CA 1.448 14 residues pruned to eliminate duplicates Z: 63 26.488 1.894 0.699 0.427 0.887 0.565 CB 1.272 42 residues pruned to eliminate duplicates Z: 14 13.479 1.683 0.319 0.781 1.000 0.769 CA 1.314 14 residues pruned to eliminate duplicates Z: 14 16.505 1.848 0.561 0.896 1.000 0.769 CA 1.136 14 residues pruned to eliminate duplicates Z: 16 17.150 1.885 0.423 0.914 1.000 0.933 CA 1.168 16 residues pruned to eliminate duplicates Z: 17 21.178 1.888 0.689 0.848 0.938 0.812 CA 1.314 16 residues pruned to eliminate duplicates Z: 39 26.467 1.899 0.853 0.473 0.921 0.684 CB 1.362 15 residues pruned to eliminate duplicates Z: 14 21.338 2.004 0.633 0.897 1.000 0.923 CA 1.294 14 residues pruned to eliminate duplicates Z: 14 20.610 1.840 0.945 0.813 0.923 0.692 CA 1.318 14 residues pruned to eliminate duplicates Z: 6 5.672 1.767 0.179 0.827 1.000 0.400 CB 0.918 5 residues pruned to eliminate duplicates Z: 16 17.077 1.745 0.788 0.877 1.000 0.867 CB 1.026 14 residues pruned to eliminate duplicates Z: 15 30.530 2.037 1.069 0.933 1.000 0.786 CA 1.351 15 residues pruned to eliminate duplicates Z: 28 23.478 1.925 0.756 0.477 0.926 0.704 CA 1.477 15 residues pruned to eliminate duplicates Z: 14 16.202 1.772 0.582 0.813 1.000 0.538 CA 1.220 14 residues pruned to eliminate duplicates Z: 14 10.876 1.782 0.428 0.423 0.923 0.538 CA 1.391 13 residues pruned to eliminate duplicates Z: 13 21.991 1.973 0.703 0.933 0.917 0.833 CB 1.438 13 residues pruned to eliminate duplicates Z: 14 14.836 1.878 0.331 0.901 1.000 0.769 CB 1.175 15 residues pruned to eliminate duplicates Z: 14 19.672 1.980 0.716 0.873 0.923 0.615 CA 1.267 14 residues pruned to eliminate duplicates Z: 14 25.687 2.007 0.869 0.897 1.000 0.615 CA 1.359 15 residues pruned to eliminate duplicates Z: 13 19.614 1.711 1.148 0.916 0.917 0.667 CB 1.187 12 residues pruned to eliminate duplicates Z: 12 19.198 2.013 0.749 0.919 1.000 0.818 CB 1.159 12 residues pruned to eliminate duplicates Z: 16 28.768 2.034 0.991 0.886 1.000 0.600 CA 1.324 16 residues pruned to eliminate duplicates Z: 40 23.162 1.893 0.798 0.518 0.821 0.333 CB 1.305 16 residues pruned to eliminate duplicates Z: 17 24.985 1.935 0.568 0.919 1.000 0.812 CA 1.450 17 residues pruned to eliminate duplicates Z: 80 37.533 1.926 0.876 0.450 0.873 0.582 CA 1.409 39 residues pruned to eliminate duplicates Z: 17 25.602 1.954 0.697 0.921 1.000 0.938 CA 1.358 17 residues pruned to eliminate duplicates Z: 13 18.625 1.969 0.619 0.868 0.917 0.750 CA 1.345 13 residues pruned to eliminate duplicates Z: 12 18.553 1.830 0.805 0.805 0.909 0.273 N 1.428 11 residues pruned to eliminate duplicates Z: 14 19.810 1.976 0.466 0.930 0.923 0.692 CB 1.437 14 residues pruned to eliminate duplicates Z: 51 26.273 1.865 0.736 0.480 0.900 0.540 CB 1.301 51 residues pruned to eliminate duplicates Z: 17 25.623 1.954 0.737 0.907 1.000 0.812 CA 1.341 17 residues pruned to eliminate duplicates Z: 11 17.037 1.680 0.749 0.921 1.000 0.800 CA 1.291 Z: 11 7.420 1.787 0.433 0.409 0.900 0.600 CB 1.119 Z: 15 14.364 1.630 0.665 0.862 1.000 0.786 CB 1.039 15 residues pruned to eliminate duplicates Z: 13 23.739 2.041 0.700 0.904 1.000 0.583 CB 1.406 13 residues pruned to eliminate duplicates Z: 53 26.957 1.905 0.753 0.438 0.923 0.577 CB 1.292 53 residues pruned to eliminate duplicates Z: 26 18.889 1.839 0.577 0.523 0.880 0.440 CA 1.448 26 residues pruned to eliminate duplicates Z: 14 22.734 1.895 0.876 0.898 0.923 0.538 CA 1.375 14 residues pruned to eliminate duplicates Z: 13 20.477 1.947 0.802 0.911 0.917 0.750 CB 1.303 13 residues pruned to eliminate duplicates Z: 13 21.769 2.031 0.686 0.926 0.917 0.917 CB 1.403 13 residues pruned to eliminate duplicates Z: 14 25.445 2.094 0.503 0.931 1.000 1.000 CA 1.568 14 residues pruned to eliminate duplicates Z: 10 19.283 1.848 0.917 0.887 0.889 0.444 C 1.472 10 residues pruned to eliminate duplicates Z: 17 19.611 1.889 0.620 0.885 1.000 0.688 CA 1.156 17 residues pruned to eliminate duplicates Z: 8 8.394 1.690 0.233 0.887 1.000 1.000 CA 1.098 8 residues pruned to eliminate duplicates Z: 6 8.697 1.807 0.423 0.839 1.000 0.800 CA 1.129 Z: 17 23.791 1.908 0.824 0.889 0.938 0.750 CA 1.312 17 residues pruned to eliminate duplicates Z: 13 20.539 1.996 0.851 0.912 1.000 0.667 CB 1.137 12 residues pruned to eliminate duplicates Z: 18 18.731 1.858 0.504 0.836 0.941 0.471 CA 1.292 18 residues pruned to eliminate duplicates Z: 19 12.249 1.706 0.646 0.476 0.889 0.500 CB 1.186 Z: 17 31.128 1.979 0.995 0.909 0.938 0.688 CB 1.492 17 residues pruned to eliminate duplicates Z: 42 23.486 1.873 0.813 0.490 0.829 0.463 CA 1.315 42 residues pruned to eliminate duplicates Z: 14 21.725 1.851 0.807 0.909 1.000 0.923 CA 1.279 14 residues pruned to eliminate duplicates Z: 9 11.513 1.776 1.029 0.591 0.875 0.500 CA 1.183 Z: 14 15.420 1.842 0.558 0.814 0.923 0.769 CA 1.228 12 residues pruned to eliminate duplicates Z: 13 26.713 2.070 0.763 0.937 1.000 0.750 CA 1.471 13 residues pruned to eliminate duplicates Z: 12 18.400 2.023 0.626 0.892 0.909 0.818 CB 1.333 12 residues pruned to eliminate duplicates Z: 13 19.769 1.977 0.649 0.878 1.000 0.667 CB 1.270 13 residues pruned to eliminate duplicates Z: 8 7.415 1.742 0.245 0.724 0.857 0.429 CA 1.233 Z: 8 9.051 1.766 1.016 0.642 0.857 0.571 CB 0.982 Z: 13 17.514 1.923 0.477 0.866 1.000 0.917 CA 1.304 13 residues pruned to eliminate duplicates Z: 13 21.760 1.910 0.779 0.924 1.000 0.833 CB 1.298 14 residues pruned to eliminate duplicates Z: 11 14.188 1.707 1.191 0.912 0.900 0.400 CB 0.944 10 residues pruned to eliminate duplicates Z: 10 20.660 1.871 1.330 0.900 1.000 0.778 CB 1.129 10 residues pruned to eliminate duplicates Z: 8 4.528 1.684 0.644 0.555 0.714 0.714 CB 0.821 Z: 17 28.574 1.957 0.850 0.913 1.000 0.812 CA 1.396 17 residues pruned to eliminate duplicates Z: 16 24.832 1.994 1.086 0.872 0.867 0.467 CA 1.296 16 residues pruned to eliminate duplicates Z: 12 20.090 1.972 0.821 0.913 1.000 0.727 CB 1.194 12 residues pruned to eliminate duplicates Z: 14 23.122 1.960 0.830 0.918 0.923 0.692 CB 1.366 14 residues pruned to eliminate duplicates Z: 13 18.167 1.991 0.654 0.906 0.833 0.667 CB 1.359 13 residues pruned to eliminate duplicates Z: 14 20.464 1.941 0.855 0.836 0.846 0.769 CB 1.394 14 residues pruned to eliminate duplicates Z: 12 8.471 1.745 0.287 0.464 1.000 0.727 CB 1.180 11 residues pruned to eliminate duplicates Z: 12 16.066 1.999 0.565 0.879 0.909 0.545 CB 1.235 12 residues pruned to eliminate duplicates Z: 13 16.909 1.904 0.551 0.910 1.000 1.000 CB 1.172 13 residues pruned to eliminate duplicates Z: 29 21.590 1.931 0.706 0.499 0.857 0.643 CA 1.446 29 residues pruned to eliminate duplicates Z: 15 10.793 1.942 0.608 0.272 0.929 0.643 CB 1.289 15 residues pruned to eliminate duplicates Z: 11 13.153 1.772 0.314 0.873 1.000 1.000 CB 1.301 Z: 13 20.351 1.893 0.847 0.814 0.917 0.750 CA 1.396 13 residues pruned to eliminate duplicates Z: 16 20.142 1.980 0.490 0.879 1.000 0.800 CA 1.278 16 residues pruned to eliminate duplicates Z: 17 9.473 1.682 0.455 0.697 0.812 0.688 CB 0.995 Z: 16 21.586 1.890 0.499 0.901 1.000 0.867 CA 1.404 16 residues pruned to eliminate duplicates Z: 14 20.241 1.947 0.589 0.889 1.000 0.615 CA 1.306 13 residues pruned to eliminate duplicates Z: 41 26.744 1.928 0.650 0.512 0.925 0.625 CB 1.420 41 residues pruned to eliminate duplicates Z: 8 8.789 1.844 0.127 0.867 0.857 0.571 CA 1.365 8 residues pruned to eliminate duplicates Z: 10 17.698 1.799 1.216 0.907 1.000 0.778 CB 1.052 10 residues pruned to eliminate duplicates Z: 30 18.872 1.843 0.799 0.418 0.966 0.621 CA 1.193 30 residues pruned to eliminate duplicates Z: 13 18.630 1.883 0.692 0.915 1.000 0.833 CA 1.193 Z: 35 24.426 1.950 0.639 0.462 0.941 0.647 CB 1.447 35 residues pruned to eliminate duplicates Z: 13 18.503 1.940 0.818 0.907 1.000 0.750 CB 1.076 13 residues pruned to eliminate duplicates Z: 13 26.478 2.053 0.843 0.939 0.917 0.833 CA 1.531 13 residues pruned to eliminate duplicates Z: 14 17.294 1.892 0.589 0.923 1.000 0.923 CB 1.121 14 residues pruned to eliminate duplicates Z: 15 11.077 1.778 0.446 0.575 0.857 0.643 CB 1.250 10 residues pruned to eliminate duplicates Z: 16 28.638 2.023 1.031 0.849 1.000 0.667 CA 1.334 16 residues pruned to eliminate duplicates Z: 18 13.536 1.862 0.659 0.436 0.882 0.529 CA 1.286 18 residues pruned to eliminate duplicates Z: 6 8.143 1.893 0.185 0.850 1.000 0.800 CA 1.202 Z: 7 4.757 1.590 0.242 0.756 0.833 0.667 CA 0.939 Z: 22 16.715 1.780 0.679 0.571 0.952 0.619 CB 1.197 Z: 12 20.609 2.035 0.737 0.910 1.000 0.818 CB 1.247 12 residues pruned to eliminate duplicates Z: 15 23.511 1.984 0.613 0.933 0.929 0.786 CA 1.475 15 residues pruned to eliminate duplicates Z: 9 6.572 1.954 -0.067 0.552 0.875 0.625 CA 1.386 9 residues pruned to eliminate duplicates Z: 14 16.952 1.849 0.526 0.834 1.000 0.692 CA 1.248 14 residues pruned to eliminate duplicates Z: 13 21.695 1.874 0.824 0.894 1.000 0.750 CB 1.314 12 residues pruned to eliminate duplicates Z: 13 16.920 1.933 0.577 0.861 0.917 0.583 CA 1.285 13 residues pruned to eliminate duplicates Z: 31 19.052 1.864 0.657 0.418 0.867 0.733 CB 1.415 19 residues pruned to eliminate duplicates Z: 13 19.172 1.922 0.778 0.850 0.917 0.500 CB 1.308 13 residues pruned to eliminate duplicates Z: 16 14.931 1.787 0.388 0.865 1.000 0.600 CA 1.139 16 residues pruned to eliminate duplicates Z: 11 19.541 2.091 0.655 0.904 1.000 0.800 CB 1.273 11 residues pruned to eliminate duplicates Z: 17 19.619 1.904 0.460 0.789 1.000 0.500 CA 1.369 17 residues pruned to eliminate duplicates Z: 14 35.048 2.103 0.957 0.945 1.000 0.769 CA 1.635 14 residues pruned to eliminate duplicates Z: 7 5.195 1.857 0.177 0.634 0.833 0.667 CB 1.027 7 residues pruned to eliminate duplicates Z: 10 22.697 2.049 0.868 0.915 1.000 0.667 CB 1.397 11 residues pruned to eliminate duplicates Z: 61 32.480 1.948 0.739 0.501 0.917 0.583 CB 1.348 52 residues pruned to eliminate duplicates Z: 9 11.468 1.854 1.014 0.431 1.000 0.500 CB 1.166 9 residues pruned to eliminate duplicates Z: 6 3.724 1.612 0.510 0.403 0.800 0.400 CB 0.948 Z: 15 28.563 2.015 0.779 0.848 0.929 0.571 CA 1.701 15 residues pruned to eliminate duplicates Z: 15 15.384 1.877 0.752 0.495 1.000 0.571 CB 1.257 16 residues pruned to eliminate duplicates Z: 6 13.379 1.918 0.546 0.851 1.000 1.000 CB 1.494 Z: 12 15.531 1.842 0.562 0.743 1.000 0.727 CA 1.310 12 residues pruned to eliminate duplicates Z: 11 14.268 2.021 0.357 0.917 1.000 0.900 CB 1.161 11 residues pruned to eliminate duplicates Z: 12 8.910 1.776 0.391 0.687 0.818 0.636 CB 1.120 7 residues pruned to eliminate duplicates Z: 6 8.034 1.857 0.228 0.819 1.000 1.000 CB 1.194 Z: 26 14.826 1.760 0.385 0.593 0.880 0.600 CA 1.265 23 residues pruned to eliminate duplicates Z: 14 21.613 1.860 0.937 0.883 1.000 1.000 CA 1.203 14 residues pruned to eliminate duplicates Z: 14 11.969 1.652 0.469 0.888 1.000 0.923 CA 0.985 14 residues pruned to eliminate duplicates Z: 12 16.348 1.800 0.811 0.877 0.909 0.727 CB 1.208 12 residues pruned to eliminate duplicates Z: 9 15.195 1.892 0.932 0.909 1.000 1.000 CB 1.043 9 residues pruned to eliminate duplicates Z: 7 9.362 1.774 0.631 0.843 0.833 0.667 CA 1.180 7 residues pruned to eliminate duplicates Z: 14 17.781 1.888 0.596 0.925 1.000 0.615 CB 1.149 14 residues pruned to eliminate duplicates Z: 32 22.524 1.870 0.725 0.437 0.935 0.710 CB 1.430 26 residues pruned to eliminate duplicates Z: 15 21.452 1.797 0.894 0.876 1.000 0.714 CB 1.224 16 residues pruned to eliminate duplicates Z: 12 16.087 2.003 0.316 0.878 1.000 0.818 CA 1.336 12 residues pruned to eliminate duplicates Z: 16 24.746 2.009 0.760 0.872 1.000 0.867 CA 1.317 16 residues pruned to eliminate duplicates Z: 13 16.118 1.908 0.785 0.796 0.917 0.500 CA 1.150 13 residues pruned to eliminate duplicates Z: 14 7.452 1.793 0.732 0.253 0.692 0.154 CB 1.277 Z: 6 4.992 1.646 0.190 0.803 0.800 0.800 CA 1.094 6 residues pruned to eliminate duplicates Z: 15 21.733 1.893 0.750 0.917 0.929 0.643 CB 1.332 16 residues pruned to eliminate duplicates Z: 8 8.631 1.731 0.624 0.856 1.000 0.429 CB 0.856 Z: 13 15.582 1.853 0.446 0.797 1.000 0.583 CA 1.294 13 residues pruned to eliminate duplicates Z: 12 17.693 1.823 0.841 0.902 0.909 0.818 CB 1.247 12 residues pruned to eliminate duplicates Z: 23 13.590 1.834 0.752 0.451 0.818 0.455 CB 1.159 23 residues pruned to eliminate duplicates Z: 14 19.612 1.843 0.867 0.779 1.000 0.538 CA 1.236 14 residues pruned to eliminate duplicates Z: 18 8.397 1.712 0.515 0.324 0.882 0.412 CB 1.080 18 residues pruned to eliminate duplicates Z: 6 6.516 1.671 0.844 0.653 0.800 0.800 N 1.025 Z: 17 22.810 1.896 0.717 0.820 0.938 0.438 CA 1.415 17 residues pruned to eliminate duplicates Z: 8 8.198 1.709 0.573 0.853 1.000 0.429 CB 0.852 8 residues pruned to eliminate duplicates Z: 7 7.003 1.814 0.361 0.760 0.667 0.333 CA 1.378 Z: 15 25.767 2.024 0.776 0.893 0.929 0.357 CA 1.481 15 residues pruned to eliminate duplicates Z: 10 10.677 1.711 0.476 0.824 0.889 0.778 N 1.197 10 residues pruned to eliminate duplicates Z: 30 27.203 1.914 0.895 0.517 0.897 0.724 CB 1.528 30 residues pruned to eliminate duplicates Z: 31 24.408 1.881 0.772 0.571 0.900 0.533 CA 1.386 31 residues pruned to eliminate duplicates Z: 7 10.020 1.684 0.715 0.799 1.000 0.333 CA 1.090 6 residues pruned to eliminate duplicates Z: 14 17.387 1.790 0.683 0.852 1.000 0.692 CB 1.185 14 residues pruned to eliminate duplicates Z: 14 13.228 1.792 0.566 0.540 1.000 0.615 CB 1.257 3 residues pruned to eliminate duplicates Z: 16 25.101 2.079 0.803 0.847 0.933 0.667 CA 1.376 16 residues pruned to eliminate duplicates Z: 11 18.754 2.070 0.575 0.911 1.000 0.900 CB 1.289 11 residues pruned to eliminate duplicates Z: 15 24.411 2.029 0.848 0.904 1.000 0.786 CB 1.239 15 residues pruned to eliminate duplicates Z: 28 26.823 1.964 0.784 0.506 0.963 0.704 CB 1.522 28 residues pruned to eliminate duplicates Z: 15 10.201 1.893 0.505 0.297 0.929 0.643 CB 1.293 15 residues pruned to eliminate duplicates Z: 12 15.892 1.808 0.755 0.913 0.909 0.818 CA 1.176 12 residues pruned to eliminate duplicates Z: 17 26.077 1.958 0.853 0.887 1.000 0.625 CA 1.296 17 residues pruned to eliminate duplicates Z: 42 27.764 1.961 0.719 0.503 0.927 0.537 CB 1.384 42 residues pruned to eliminate duplicates Z: 8 5.869 1.753 0.342 0.803 0.714 0.714 CA 1.013 8 residues pruned to eliminate duplicates Z: 6 6.479 1.711 0.129 0.874 1.000 1.000 CB 1.092 Z: 18 13.230 1.835 0.600 0.496 0.882 0.647 CB 1.244 17 residues pruned to eliminate duplicates Z: 13 11.289 1.805 0.719 0.393 0.833 0.667 CA 1.412 7 residues pruned to eliminate duplicates Z: 12 17.674 1.812 0.925 0.881 1.000 0.818 CB 1.106 12 residues pruned to eliminate duplicates Z: 52 22.119 1.804 0.728 0.461 0.863 0.549 CB 1.198 22 residues pruned to eliminate duplicates Z: 9 10.841 1.876 0.601 0.522 1.000 0.500 CA 1.249 Z: 12 14.237 1.774 0.694 0.929 1.000 1.000 CB 1.000 12 residues pruned to eliminate duplicates Z: 14 17.777 1.791 0.804 0.757 0.923 0.462 CA 1.315 14 residues pruned to eliminate duplicates Z: 13 20.219 1.954 0.754 0.893 1.000 0.750 CA 1.223 13 residues pruned to eliminate duplicates Z: 11 13.890 2.015 0.344 0.917 1.000 0.800 CB 1.145 11 residues pruned to eliminate duplicates Z: 14 16.077 1.832 0.467 0.838 1.000 0.538 CA 1.240 13 residues pruned to eliminate duplicates Z: 15 27.901 2.050 0.840 0.930 1.000 1.000 CA 1.382 15 residues pruned to eliminate duplicates Z: 6 5.123 1.769 0.780 0.644 0.800 0.800 CB 0.795 Z: 14 22.250 1.842 1.112 0.819 1.000 0.615 CA 1.202 14 residues pruned to eliminate duplicates Z: 16 23.674 1.999 0.811 0.899 1.000 0.800 CA 1.207 16 residues pruned to eliminate duplicates Z: 9 8.867 1.760 0.459 0.851 0.750 0.750 CA 1.205 9 residues pruned to eliminate duplicates Z: 13 15.755 1.758 0.906 0.889 0.833 0.583 CB 1.173 13 residues pruned to eliminate duplicates Z: 15 21.594 1.725 0.911 0.807 1.000 0.643 CA 1.339 15 residues pruned to eliminate duplicates Z: 17 25.815 1.947 0.912 0.850 1.000 0.438 CB 1.284 17 residues pruned to eliminate duplicates Z: 60 32.274 1.884 0.753 0.644 0.881 0.559 CB 1.262 42 residues pruned to eliminate duplicates Z: 12 12.468 1.617 0.481 0.875 0.909 0.727 CB 1.256 12 residues pruned to eliminate duplicates Z: 9 10.786 1.829 0.305 0.838 1.000 1.000 CB 1.194 9 residues pruned to eliminate duplicates Z: 8 7.338 1.762 0.036 0.857 0.857 0.571 CA 1.306 8 residues pruned to eliminate duplicates Z: 16 23.054 1.903 0.708 0.910 1.000 0.933 CA 1.299 16 residues pruned to eliminate duplicates Z: 9 9.520 1.775 0.318 0.848 0.875 0.750 CA 1.219 9 residues pruned to eliminate duplicates Z: 50 25.997 1.895 0.695 0.527 0.898 0.388 CB 1.254 47 residues pruned to eliminate duplicates Z: 8 4.575 1.825 0.717 0.490 0.714 0.429 CB 0.781 Z: 8 5.622 1.503 0.639 0.576 0.857 0.571 CA 0.935 8 residues pruned to eliminate duplicates Z: 16 24.577 1.958 0.717 0.922 1.000 0.933 CB 1.327 16 residues pruned to eliminate duplicates Z: 17 19.785 1.834 0.610 0.919 0.938 0.750 CA 1.259 17 residues pruned to eliminate duplicates Z: 14 19.717 1.853 0.963 0.811 0.923 0.769 CA 1.242 14 residues pruned to eliminate duplicates Z: 14 21.426 1.983 0.465 0.907 1.000 0.846 CA 1.453 14 residues pruned to eliminate duplicates Z: 12 18.032 1.826 1.017 0.923 1.000 0.727 CB 1.037 12 residues pruned to eliminate duplicates Z: 14 18.615 1.895 0.657 0.925 1.000 0.615 CB 1.154 14 residues pruned to eliminate duplicates Z: 15 25.781 1.964 0.721 0.924 1.000 0.786 CA 1.432 15 residues pruned to eliminate duplicates Z: 8 8.604 1.666 0.754 0.490 0.857 0.571 CB 1.311 8 residues pruned to eliminate duplicates Z: 14 15.358 1.826 0.464 0.872 1.000 0.923 CB 1.162 14 residues pruned to eliminate duplicates Z: 22 13.247 1.796 0.522 0.437 0.905 0.524 CB 1.247 23 residues pruned to eliminate duplicates Z: 17 23.579 1.953 0.801 0.899 0.938 0.875 CA 1.278 17 residues pruned to eliminate duplicates Z: 9 11.462 1.915 0.650 0.597 0.875 0.500 CB 1.337 Z: 12 15.367 1.770 0.672 0.885 0.909 0.818 CB 1.244 12 residues pruned to eliminate duplicates Z: 18 9.206 1.677 0.440 0.657 0.882 0.647 CB 0.906 Z: 16 24.890 1.952 0.849 0.907 1.000 1.000 CA 1.265 16 residues pruned to eliminate duplicates Z: 13 16.133 1.653 0.633 0.846 1.000 0.750 CB 1.282 11 residues pruned to eliminate duplicates Z: 12 17.437 1.895 0.618 0.896 1.000 0.818 CB 1.228 12 residues pruned to eliminate duplicates Z: 17 11.981 1.660 0.578 0.431 0.938 0.562 CA 1.310 13 residues pruned to eliminate duplicates Z: 28 19.605 1.887 0.465 0.593 0.889 0.667 CA 1.405 27 residues pruned to eliminate duplicates Z: 12 9.021 1.680 0.670 0.916 1.000 0.727 CB 0.685 12 residues pruned to eliminate duplicates Z: 11 7.157 1.540 0.588 0.758 0.800 0.500 CA 0.919 11 residues pruned to eliminate duplicates Z: 13 18.192 1.912 0.646 0.890 0.917 0.583 CA 1.310 13 residues pruned to eliminate duplicates Z: 13 13.752 1.692 0.594 0.848 0.917 0.833 CB 1.191 11 residues pruned to eliminate duplicates Z: 33 18.727 1.848 0.596 0.427 0.906 0.594 CA 1.337 34 residues pruned to eliminate duplicates Z: 8 4.244 1.534 0.350 0.409 0.857 0.714 CB 0.994 Z: 6 10.299 1.658 0.588 0.841 1.000 0.800 CB 1.304 6 residues pruned to eliminate duplicates Z: 16 19.403 1.898 0.553 0.919 1.000 0.933 CA 1.198 16 residues pruned to eliminate duplicates Z: 17 25.126 1.908 0.807 0.830 1.000 0.562 CA 1.369 15 residues pruned to eliminate duplicates Z: 16 27.214 2.000 0.703 0.833 1.000 0.867 CB 1.548 34 residues pruned to eliminate duplicates Z: 15 24.357 2.034 0.564 0.921 1.000 0.643 CA 1.440 15 residues pruned to eliminate duplicates Z: 70 29.638 1.868 0.738 0.495 0.884 0.652 CA 1.249 49 residues pruned to eliminate duplicates Z: 13 8.310 1.944 0.302 0.342 0.917 0.500 CB 1.227 Z: 11 18.598 1.769 0.966 0.905 1.000 0.800 CB 1.204 11 residues pruned to eliminate duplicates Z: 22 20.646 1.891 0.814 0.525 0.952 0.619 CB 1.345 22 residues pruned to eliminate duplicates Z: 15 21.721 2.000 0.545 0.900 1.000 0.929 CA 1.342 15 residues pruned to eliminate duplicates Z: 12 31.212 1.912 1.513 0.900 1.000 0.727 CB 1.399 12 residues pruned to eliminate duplicates Z: 54 31.346 1.921 0.796 0.552 0.887 0.547 CA 1.338 54 residues pruned to eliminate duplicates Z: 12 10.940 1.750 0.371 0.845 0.909 0.818 CA 1.124 12 residues pruned to eliminate duplicates Z: 12 14.749 1.791 0.564 0.917 1.000 0.818 CB 1.120 12 residues pruned to eliminate duplicates Z: 22 6.691 1.487 0.497 0.339 0.762 0.524 CB 1.026 10 residues pruned to eliminate duplicates Z: 6 2.163 1.369 0.628 0.460 0.800 0.400 CB 0.565 Z: 6 6.670 1.646 0.472 0.777 1.000 0.400 CA 0.964 6 residues pruned to eliminate duplicates Z: 8 6.215 1.774 0.201 0.694 0.857 0.571 CB 1.077 Z: 7 10.236 1.746 0.732 0.576 1.000 0.833 CB 1.285 7 residues pruned to eliminate duplicates Z: 16 28.195 1.950 0.911 0.925 1.000 0.800 CA 1.371 16 residues pruned to eliminate duplicates Z: 7 6.696 1.818 0.242 0.775 0.833 0.500 CB 1.139 7 residues pruned to eliminate duplicates Z: 70 30.861 1.915 0.689 0.404 0.913 0.609 CB 1.391 70 residues pruned to eliminate duplicates Z: 22 8.875 1.699 0.580 0.315 0.857 0.524 CB 1.033 22 residues pruned to eliminate duplicates Z: 56 29.751 1.887 0.871 0.422 0.873 0.600 CB 1.413 56 residues pruned to eliminate duplicates Z: 9 16.760 2.032 0.976 0.914 1.000 1.000 CB 1.044 9 residues pruned to eliminate duplicates Z: 6 5.457 1.701 0.579 0.496 0.800 0.600 CA 1.140 6 residues pruned to eliminate duplicates Z: 13 13.353 1.774 0.637 0.795 0.917 0.667 CB 1.118 13 residues pruned to eliminate duplicates Z: 9 5.689 1.785 1.053 0.847 0.875 0.750 CB 0.466 3 residues pruned to eliminate duplicates Z: 14 19.598 1.830 0.776 0.830 1.000 0.846 CA 1.258 14 residues pruned to eliminate duplicates Z: 16 23.145 1.945 0.677 0.864 1.000 0.933 CA 1.343 16 residues pruned to eliminate duplicates Z: 28 21.328 1.946 0.864 0.551 0.815 0.630 CA 1.322 28 residues pruned to eliminate duplicates Z: 16 26.018 1.913 0.913 0.888 1.000 0.467 CB 1.322 16 residues pruned to eliminate duplicates Z: 6 5.116 1.507 0.603 0.831 1.000 0.800 CA 0.712 6 residues pruned to eliminate duplicates Z: 16 11.791 1.674 0.553 0.593 0.867 0.533 CB 1.236 20 residues pruned to eliminate duplicates Z: 29 16.908 1.834 0.703 0.541 0.857 0.500 CB 1.146 29 residues pruned to eliminate duplicates Z: 13 17.288 1.896 0.620 0.857 1.000 0.583 CA 1.197 13 residues pruned to eliminate duplicates Z: 63 30.728 1.899 0.834 0.473 0.887 0.581 CB 1.298 73 residues pruned to eliminate duplicates 6 1.812 1.603 -0.225 0.544 0.600 0.600 CB 1.042 ? Z: 9 9.238 1.735 0.243 0.865 1.000 0.750 CA 1.110 9 residues pruned to eliminate duplicates Z: 13 16.920 1.689 0.847 0.912 0.917 0.917 CB 1.210 13 residues pruned to eliminate duplicates Z: 17 27.040 1.950 0.677 0.926 1.000 0.875 CA 1.449 17 residues pruned to eliminate duplicates Z: 12 9.150 1.792 0.450 0.428 0.909 0.455 CB 1.258 12 residues pruned to eliminate duplicates Z: 14 13.694 1.793 0.403 0.786 0.923 0.385 CB 1.272 14 residues pruned to eliminate duplicates Z: 56 26.593 1.898 0.570 0.538 0.891 0.600 CA 1.301 56 residues pruned to eliminate duplicates Z: 7 6.816 1.571 0.488 0.643 1.000 0.667 CA 1.042 Z: 28 13.945 1.702 0.719 0.440 0.926 0.407 CB 1.053 28 residues pruned to eliminate duplicates Z: 8 9.719 1.884 0.756 0.904 1.000 0.857 CB 0.791 7 residues pruned to eliminate duplicates Z: 30 19.136 1.837 0.761 0.449 0.862 0.621 CB 1.342 30 residues pruned to eliminate duplicates Z: 11 13.154 1.872 0.695 0.519 1.000 0.700 CB 1.286 11 residues pruned to eliminate duplicates Z: 15 23.313 1.967 0.797 0.880 1.000 0.571 CA 1.277 15 residues pruned to eliminate duplicates Z: 9 5.800 1.730 0.458 0.494 0.875 0.625 CA 0.935 5 residues pruned to eliminate duplicates Z: 16 26.558 1.949 0.812 0.925 1.000 0.933 CA 1.363 16 residues pruned to eliminate duplicates Z: 9 13.652 1.703 0.861 0.876 1.000 0.750 CA 1.107 7 residues pruned to eliminate duplicates Z: 9 11.752 1.954 0.307 0.906 1.000 1.000 CB 1.157 9 residues pruned to eliminate duplicates Z: 30 20.994 1.875 0.851 0.575 0.828 0.759 CB 1.263 30 residues pruned to eliminate duplicates Z: 18 8.344 1.783 0.450 0.271 0.882 0.529 CB 1.151 18 residues pruned to eliminate duplicates Z: 16 11.157 1.784 0.611 0.479 0.933 0.667 CB 1.097 23 residues pruned to eliminate duplicates Z: 10 10.328 1.663 0.498 0.827 1.000 0.778 CA 1.042 10 residues pruned to eliminate duplicates Z: 8 3.020 1.156 0.948 0.397 0.857 0.714 CA 0.659 Z: 52 28.369 1.920 0.677 0.576 0.941 0.627 CB 1.218 52 residues pruned to eliminate duplicates Z: 47 21.651 1.816 0.754 0.433 0.870 0.522 CB 1.236 47 residues pruned to eliminate duplicates Z: 44 25.476 1.872 0.734 0.481 0.953 0.512 CB 1.279 44 residues pruned to eliminate duplicates Z: 11 9.142 1.739 0.508 0.474 1.000 0.600 CB 1.131 11 residues pruned to eliminate duplicates Z: 12 16.977 1.935 0.674 0.917 1.000 0.727 CB 1.115 12 residues pruned to eliminate duplicates Z: 13 12.040 1.878 0.172 0.841 0.917 0.833 CA 1.284 13 residues pruned to eliminate duplicates Z: 12 15.591 1.706 0.808 0.912 0.909 0.727 CA 1.187 12 residues pruned to eliminate duplicates Z: 11 4.446 1.445 0.969 0.332 0.700 0.300 N 0.849 Z: 10 8.647 1.752 0.641 0.451 0.889 0.444 CB 1.186 10 residues pruned to eliminate duplicates Z: 6 3.388 1.564 0.284 0.425 0.800 0.600 CB 1.020 6 residues pruned to eliminate duplicates Z: 13 11.516 1.820 0.073 0.915 1.000 1.000 CA 1.203 13 residues pruned to eliminate duplicates Z: 7 8.894 1.823 0.751 0.579 0.833 0.833 CB 1.265 Z: 13 20.045 1.897 0.752 0.888 1.000 0.833 CA 1.254 13 residues pruned to eliminate duplicates Z: 10 10.806 1.675 0.633 0.794 1.000 0.667 CB 1.018 10 residues pruned to eliminate duplicates Z: 15 19.276 1.798 0.666 0.933 1.000 0.786 CB 1.200 15 residues pruned to eliminate duplicates Z: 8 8.657 1.645 0.652 0.881 0.857 0.571 CB 1.017 8 residues pruned to eliminate duplicates Z: 7 7.490 1.443 0.725 0.879 1.000 0.500 CA 0.890 7 residues pruned to eliminate duplicates Z: 24 11.885 1.718 0.610 0.655 0.870 0.565 CB 0.892 24 residues pruned to eliminate duplicates Z: 11 12.231 1.671 0.941 0.872 1.000 0.700 CB 0.869 11 residues pruned to eliminate duplicates Z: 14 12.487 1.557 0.679 0.907 0.923 0.769 CB 1.021 14 residues pruned to eliminate duplicates Z: 13 13.770 1.893 0.532 0.922 1.000 0.750 CB 0.964 13 residues pruned to eliminate duplicates Z: 7 11.535 1.741 0.654 0.867 1.000 0.833 CA 1.196 12 residues pruned to eliminate duplicates Z: 6 5.615 1.808 -0.008 0.528 1.000 0.400 N 1.362 6 residues pruned to eliminate duplicates Z: 20 10.389 1.714 0.454 0.312 0.947 0.632 CB 1.242 Z: 14 13.108 1.918 0.703 0.355 1.000 0.615 CB 1.301 14 residues pruned to eliminate duplicates Z: 16 20.133 1.938 0.610 0.898 1.000 0.933 CA 1.192 16 residues pruned to eliminate duplicates Z: 27 20.044 1.838 0.523 0.622 0.923 0.769 CB 1.356 21 residues pruned to eliminate duplicates Z: 13 16.197 1.830 0.541 0.916 1.000 0.750 CB 1.171 13 residues pruned to eliminate duplicates Z: 14 17.610 1.817 0.634 0.853 0.923 0.615 CA 1.317 14 residues pruned to eliminate duplicates Z: 12 18.991 1.908 0.953 0.897 0.909 0.636 CB 1.209 12 residues pruned to eliminate duplicates Z: 15 20.849 1.810 1.072 0.829 0.857 0.714 CA 1.304 15 residues pruned to eliminate duplicates Z: 7 7.949 1.862 0.154 0.846 1.000 1.000 CB 1.122 7 residues pruned to eliminate duplicates Z: 6 5.981 1.467 0.278 0.776 1.000 1.000 CB 1.118 6 residues pruned to eliminate duplicates Z: 26 23.575 1.926 0.831 0.596 0.880 0.800 CB 1.386 26 residues pruned to eliminate duplicates Z: 13 11.943 1.646 0.389 0.876 0.917 0.750 CB 1.195 12 residues pruned to eliminate duplicates Z: 13 22.828 1.894 0.804 0.926 1.000 0.500 CA 1.353 13 residues pruned to eliminate duplicates Z: 88 31.769 1.874 0.651 0.475 0.908 0.575 CB 1.245 88 residues pruned to eliminate duplicates Z: 15 16.529 1.739 0.740 0.847 0.929 0.786 CB 1.167 15 residues pruned to eliminate duplicates Z: 15 19.224 1.739 0.757 0.787 1.000 0.571 CA 1.307 15 residues pruned to eliminate duplicates Z: 56 16.877 1.798 0.211 0.406 0.945 0.509 CB 1.220 57 residues pruned to eliminate duplicates Z: 12 19.117 1.824 0.955 0.853 1.000 0.455 CB 1.195 12 residues pruned to eliminate duplicates Z: 12 15.260 1.766 0.600 0.911 0.909 0.727 CA 1.269 12 residues pruned to eliminate duplicates Z: 12 26.618 2.018 0.968 0.915 1.000 0.727 CB 1.427 12 residues pruned to eliminate duplicates Z: 6 7.332 1.534 0.786 0.785 1.000 0.400 CB 0.932 Z: 12 17.088 1.833 0.722 0.845 0.909 0.273 CB 1.334 12 residues pruned to eliminate duplicates Z: 11 33.963 2.034 1.420 0.930 1.000 0.600 CB 1.525 11 residues pruned to eliminate duplicates Z: 17 10.030 1.708 0.418 0.395 0.938 0.688 CA 1.234 17 residues pruned to eliminate duplicates Z: 13 10.550 1.608 0.288 0.845 0.917 0.667 CB 1.193 13 residues pruned to eliminate duplicates Z: 69 30.633 1.800 0.675 0.520 0.956 0.662 CA 1.263 49 residues pruned to eliminate duplicates Z: 10 7.899 1.821 0.415 0.467 0.889 0.556 CB 1.189 10 residues pruned to eliminate duplicates Z: 6 6.541 1.599 0.451 0.817 1.000 0.600 CA 0.957 6 residues pruned to eliminate duplicates Z: 12 18.234 1.830 0.844 0.915 0.909 0.636 CB 1.267 18 residues pruned to eliminate duplicates Z: 13 14.980 1.695 0.961 0.921 0.833 0.833 CB 1.099 13 residues pruned to eliminate duplicates Z: 6 5.753 1.752 0.086 0.800 1.000 1.000 CB 1.040 6 residues pruned to eliminate duplicates Z: 14 8.371 1.615 0.341 0.646 0.769 0.538 CA 1.216 14 residues pruned to eliminate duplicates Z: 13 15.775 1.886 0.556 0.916 0.917 0.750 CA 1.196 13 residues pruned to eliminate duplicates Z: 31 26.714 2.010 0.715 0.571 0.933 0.667 CA 1.416 31 residues pruned to eliminate duplicates Z: 13 17.940 1.899 0.735 0.911 0.917 0.583 CB 1.215 13 residues pruned to eliminate duplicates Z: 41 23.657 1.864 0.739 0.491 0.950 0.600 CB 1.226 41 residues pruned to eliminate duplicates Z: 43 27.415 1.929 0.695 0.520 0.929 0.595 CA 1.366 41 residues pruned to eliminate duplicates Z: 12 18.329 1.835 0.936 0.928 1.000 0.818 CB 1.089 12 residues pruned to eliminate duplicates Z: 12 9.497 1.624 0.884 0.476 0.818 0.636 CB 1.172 11 residues pruned to eliminate duplicates Z: 16 23.284 1.944 0.913 0.899 1.000 0.533 CB 1.156 16 residues pruned to eliminate duplicates Z: 60 34.932 1.902 0.686 0.642 0.932 0.610 CB 1.331 60 residues pruned to eliminate duplicates Z: 6 5.768 1.682 0.982 0.589 0.800 0.600 CB 0.888 6 residues pruned to eliminate duplicates Z: 12 12.928 1.775 0.438 0.908 1.000 0.727 CB 1.085 12 residues pruned to eliminate duplicates Z: 13 14.889 1.655 0.703 0.895 1.000 0.833 CB 1.093 13 residues pruned to eliminate duplicates Z: 14 17.411 1.870 0.614 0.933 1.000 0.846 CB 1.117 14 residues pruned to eliminate duplicates Z: 15 9.026 1.767 0.275 0.447 0.929 0.500 CB 1.218 15 residues pruned to eliminate duplicates Z: 7 6.134 1.712 1.064 0.393 0.667 0.333 CA 1.190 Z: 11 3.798 1.504 0.572 0.266 0.700 0.300 CB 0.947 Z: 12 16.592 1.859 1.010 0.843 1.000 0.545 CB 0.996 12 residues pruned to eliminate duplicates Z: 10 9.204 1.745 0.442 0.855 0.889 0.889 CA 1.012 10 residues pruned to eliminate duplicates Z: 16 15.850 1.652 0.993 0.775 0.867 0.533 CA 1.125 16 residues pruned to eliminate duplicates Z: 13 13.576 1.684 0.538 0.898 0.917 0.750 CB 1.181 13 residues pruned to eliminate duplicates Z: 20 9.885 1.707 0.679 0.312 0.789 0.263 CB 1.234 20 residues pruned to eliminate duplicates Z: 7 8.074 1.653 0.790 0.603 0.833 0.667 N 1.213 Z: 8 12.130 1.864 0.551 0.820 1.000 0.714 CB 1.202 8 residues pruned to eliminate duplicates Z: 12 11.497 1.724 0.552 0.893 1.000 0.727 CB 0.930 12 residues pruned to eliminate duplicates Z: 27 19.441 1.838 0.654 0.586 0.923 0.615 CA 1.251 14 residues pruned to eliminate duplicates Z: 7 4.823 1.490 -0.083 0.793 1.000 0.333 CB 1.115 Z: 12 8.040 1.835 0.386 0.390 0.909 0.455 CB 1.178 12 residues pruned to eliminate duplicates Z: 10 6.689 1.683 0.284 0.433 0.889 0.444 CB 1.244 Z: 61 35.016 1.967 0.852 0.552 0.950 0.650 CB 1.242 61 residues pruned to eliminate duplicates Z: 7 4.835 1.594 0.486 0.406 0.833 0.667 N 1.103 Z: 11 22.592 1.933 0.922 0.899 1.000 0.600 CB 1.375 11 residues pruned to eliminate duplicates Z: 26 22.996 1.933 0.729 0.489 0.920 0.360 CA 1.513 26 residues pruned to eliminate duplicates Z: 23 6.204 1.769 0.109 0.292 0.818 0.545 CB 1.040 Z: 14 9.800 1.769 0.636 0.352 0.846 0.538 CB 1.303 14 residues pruned to eliminate duplicates Z: 8 10.554 1.610 0.817 0.584 1.000 0.714 CA 1.258 7 residues pruned to eliminate duplicates Z: 12 13.710 1.958 0.190 0.868 1.000 0.818 CB 1.296 12 residues pruned to eliminate duplicates Z: 9 6.577 1.820 0.393 0.383 0.875 0.375 CB 1.187 9 residues pruned to eliminate duplicates Z: 9 3.260 1.501 0.502 0.497 0.750 0.625 CB 0.684 Z: 15 17.941 1.676 0.936 0.760 1.000 0.714 CA 1.172 15 residues pruned to eliminate duplicates Z: 24 20.364 1.875 0.835 0.620 0.826 0.609 CA 1.334 24 residues pruned to eliminate duplicates Z: 12 12.692 1.643 0.325 0.904 1.000 0.909 CA 1.251 12 residues pruned to eliminate duplicates Z: 24 24.908 1.925 0.943 0.574 0.870 0.435 CA 1.487 24 residues pruned to eliminate duplicates Z: 10 7.872 1.748 0.538 0.860 0.889 0.667 CB 0.808 10 residues pruned to eliminate duplicates Z: 16 31.029 2.000 1.236 0.910 0.933 0.800 CB 1.361 16 residues pruned to eliminate duplicates Z: 10 13.261 2.036 0.513 0.895 1.000 1.000 CA 1.029 10 residues pruned to eliminate duplicates Z: 10 6.911 1.771 0.565 0.473 0.778 0.778 CB 1.098 Z: 46 25.863 1.823 0.746 0.616 0.889 0.689 CB 1.221 39 residues pruned to eliminate duplicates Z: 11 19.469 1.787 1.134 0.852 0.900 0.800 CA 1.327 11 residues pruned to eliminate duplicates Z: 22 7.702 1.552 0.590 0.235 0.810 0.571 CB 1.144 22 residues pruned to eliminate duplicates Z: 13 10.021 1.697 0.521 0.653 0.833 0.750 CA 1.166 13 residues pruned to eliminate duplicates Z: 8 11.362 1.759 0.565 0.837 1.000 0.857 CA 1.167 8 residues pruned to eliminate duplicates Z: 32 26.111 1.903 0.760 0.625 0.968 0.742 CA 1.286 32 residues pruned to eliminate duplicates Z: 47 17.782 1.813 0.586 0.354 0.935 0.543 CB 1.143 47 residues pruned to eliminate duplicates Z: 10 6.792 1.781 0.121 0.839 1.000 0.556 CA 0.847 10 residues pruned to eliminate duplicates Z: 20 7.016 1.630 0.551 0.211 0.842 0.421 CB 1.063 20 residues pruned to eliminate duplicates Z: 13 3.128 1.448 0.068 0.167 0.833 0.250 CB 1.051 Z: 14 18.217 1.835 0.726 0.923 1.000 0.846 CA 1.121 14 residues pruned to eliminate duplicates Z: 6 5.676 1.795 0.611 0.691 1.000 0.800 CB 0.737 Z: 55 35.181 1.942 0.890 0.507 0.926 0.593 CA 1.398 55 residues pruned to eliminate duplicates Z: 7 7.557 1.605 0.491 0.483 1.000 0.333 CA 1.312 7 residues pruned to eliminate duplicates Z: 63 31.149 1.895 0.742 0.627 0.871 0.645 CB 1.221 63 residues pruned to eliminate duplicates Z: 12 15.584 1.606 0.660 0.914 1.000 0.818 CB 1.247 12 residues pruned to eliminate duplicates Z: 6 5.962 1.712 0.280 0.637 0.800 0.600 CB 1.338 6 residues pruned to eliminate duplicates Z: 16 18.674 1.784 0.864 0.611 0.867 0.600 CA 1.506 16 residues pruned to eliminate duplicates Z: 29 16.808 1.814 0.838 0.385 0.821 0.536 CB 1.310 29 residues pruned to eliminate duplicates Z: 6 5.889 1.468 0.118 0.858 1.000 1.000 CA 1.182 6 residues pruned to eliminate duplicates Z: 71 30.261 1.897 0.605 0.532 0.914 0.600 CB 1.259 65 residues pruned to eliminate duplicates Z: 19 7.697 1.724 0.500 0.388 0.833 0.667 CB 0.948 19 residues pruned to eliminate duplicates Z: 7 5.366 1.620 0.672 0.389 0.833 0.500 CB 1.091 Z: 14 14.833 1.547 0.822 0.912 1.000 0.769 CB 1.034 17 residues pruned to eliminate duplicates Z: 15 18.054 1.805 0.833 0.864 1.000 0.857 CA 1.070 15 residues pruned to eliminate duplicates Z: 10 17.314 1.771 0.791 0.927 1.000 0.778 CB 1.275 10 residues pruned to eliminate duplicates Z: 18 21.325 1.843 0.885 0.591 0.941 0.471 CA 1.450 18 residues pruned to eliminate duplicates Z: 19 6.347 1.635 0.503 0.263 0.722 0.278 CA 1.104 19 residues pruned to eliminate duplicates Z: 20 16.920 1.838 0.678 0.556 0.895 0.579 CA 1.332 20 residues pruned to eliminate duplicates Z: 8 5.285 1.410 0.765 0.545 0.857 0.286 CB 0.896 8 residues pruned to eliminate duplicates Z: 9 5.057 1.689 1.011 0.426 0.750 0.500 CB 0.758 9 residues pruned to eliminate duplicates Z: 8 5.732 1.287 0.296 0.818 1.000 0.714 CA 0.985 8 residues pruned to eliminate duplicates Z: 14 11.566 1.556 0.660 0.895 0.846 0.769 CB 1.052 14 residues pruned to eliminate duplicates Z: 69 37.788 1.886 0.786 0.622 0.926 0.618 CB 1.309 70 residues pruned to eliminate duplicates Z: 6 6.814 1.615 0.408 0.614 1.000 1.000 CB 1.203 Z: 6 5.657 1.517 0.932 0.509 0.800 0.400 CA 1.069 Z: 6 9.559 1.736 0.615 0.893 1.000 1.000 CB 1.095 6 residues pruned to eliminate duplicates Z: 13 15.997 1.766 0.687 0.914 1.000 0.750 CA 1.096 13 residues pruned to eliminate duplicates Z: 13 13.721 1.724 0.564 0.819 0.917 0.417 CA 1.215 13 residues pruned to eliminate duplicates Z: 13 11.196 1.588 0.721 0.886 0.917 0.667 CB 0.930 13 residues pruned to eliminate duplicates Z: 26 24.726 1.956 0.801 0.526 0.920 0.760 CA 1.487 26 residues pruned to eliminate duplicates Z: 10 5.980 1.660 0.557 0.593 0.778 0.556 CA 0.907 10 residues pruned to eliminate duplicates Z: 6 9.458 1.849 0.327 0.854 1.000 0.800 CA 1.273 6 residues pruned to eliminate duplicates Z: 28 17.284 1.675 0.812 0.624 0.889 0.333 CB 1.097 23 residues pruned to eliminate duplicates Z: 7 4.596 1.481 0.593 0.751 0.833 0.667 CA 0.763 7 residues pruned to eliminate duplicates Z: 8 5.091 1.720 -0.068 0.874 1.000 0.714 CB 0.873 8 residues pruned to eliminate duplicates Z: 6 6.539 1.456 0.560 0.689 1.000 0.600 O 1.083 6 residues pruned to eliminate duplicates 7 0.914 1.475 -0.064 0.248 0.667 0.333 CB 0.542 ? Z: 30 18.944 1.834 0.788 0.501 0.931 0.724 CA 1.151 30 residues pruned to eliminate duplicates 7 1.955 1.361 -0.049 0.184 1.000 0.333 C 0.902 ? Z: 14 9.400 1.732 0.424 0.482 1.000 0.538 CB 1.077 14 residues pruned to eliminate duplicates Z: 6 7.089 1.504 0.483 0.781 1.000 0.600 CB 1.109 6 residues pruned to eliminate duplicates Z: 13 13.925 1.688 0.559 0.823 1.000 0.667 CB 1.154 13 residues pruned to eliminate duplicates Z: 14 11.943 1.801 0.375 0.595 0.923 0.615 CB 1.324 16 residues pruned to eliminate duplicates Z: 15 21.415 1.993 0.712 0.886 0.929 0.714 CB 1.304 15 residues pruned to eliminate duplicates Z: 59 22.265 1.827 0.532 0.441 0.897 0.534 CB 1.238 59 residues pruned to eliminate duplicates Z: 18 22.447 1.885 0.789 0.892 0.941 0.824 CA 1.232 18 residues pruned to eliminate duplicates Z: 13 24.353 2.022 0.884 0.889 0.917 0.750 CB 1.450 13 residues pruned to eliminate duplicates Z: 10 10.870 1.693 0.478 0.840 1.000 0.778 CB 1.081 10 residues pruned to eliminate duplicates Z: 13 7.104 1.856 0.478 0.231 0.833 0.333 CB 1.228 7 residues pruned to eliminate duplicates Z: 14 17.653 1.873 0.731 0.799 0.923 0.769 CB 1.259 14 residues pruned to eliminate duplicates Z: 68 33.992 1.903 0.848 0.472 0.910 0.552 CB 1.334 68 residues pruned to eliminate duplicates Z: 29 19.296 1.879 0.688 0.482 0.893 0.500 CB 1.311 29 residues pruned to eliminate duplicates Z: 31 22.916 1.847 0.855 0.467 0.933 0.600 CA 1.353 37 residues pruned to eliminate duplicates Z: 6 7.875 1.756 0.247 0.863 1.000 0.800 CA 1.180 6 residues pruned to eliminate duplicates Z: 17 20.282 1.840 0.951 0.831 0.938 0.438 CB 1.132 17 residues pruned to eliminate duplicates Z: 6 9.710 1.729 0.508 0.864 1.000 0.800 CA 1.221 6 residues pruned to eliminate duplicates Z: 16 11.139 1.781 0.470 0.627 0.733 0.600 CB 1.329 16 residues pruned to eliminate duplicates Z: 10 4.950 1.657 0.198 0.599 0.778 0.778 CB 0.972 10 residues pruned to eliminate duplicates Z: 11 10.857 1.690 0.800 0.474 0.900 0.600 N 1.287 6 0.712 1.374 -0.483 0.449 0.600 0.400 CB 0.788 ? Z: 8 9.223 1.627 0.447 0.756 1.000 0.857 CB 1.179 8 residues pruned to eliminate duplicates Z: 10 15.141 1.826 0.723 0.877 1.000 0.889 CA 1.165 10 residues pruned to eliminate duplicates Z: 11 25.138 1.863 1.258 0.903 1.000 0.500 CB 1.347 16 residues pruned to eliminate duplicates Z: 48 22.504 1.842 0.531 0.526 0.915 0.596 CB 1.240 48 residues pruned to eliminate duplicates Z: 6 9.406 1.698 0.599 0.766 1.000 0.800 N 1.224 Z: 14 14.262 1.686 0.652 0.852 1.000 0.462 CB 1.051 14 residues pruned to eliminate duplicates Z: 51 29.986 1.931 0.827 0.456 0.900 0.540 CA 1.397 51 residues pruned to eliminate duplicates Z: 7 2.960 1.612 0.282 0.358 0.667 0.333 N 1.021 Z: 11 27.031 2.041 1.227 0.915 0.900 0.500 CB 1.476 11 residues pruned to eliminate duplicates Z: 10 11.043 1.658 0.670 0.824 0.889 0.889 CB 1.130 10 residues pruned to eliminate duplicates Z: 7 8.510 1.820 0.613 0.748 0.833 0.667 CB 1.138 7 residues pruned to eliminate duplicates 6 1.815 1.555 0.726 0.292 0.800 0.600 CB 0.477 ? Z: 7 7.115 1.628 0.391 0.835 1.000 0.500 CA 0.961 7 residues pruned to eliminate duplicates Z: 6 5.148 1.609 0.347 0.844 0.800 0.800 CA 0.988 6 residues pruned to eliminate duplicates Z: 38 18.991 1.899 0.627 0.482 0.919 0.541 CB 1.120 38 residues pruned to eliminate duplicates Z: 6 8.381 1.865 0.652 0.773 1.000 0.800 CB 0.956 6 residues pruned to eliminate duplicates Z: 11 11.736 1.756 0.589 0.910 1.000 0.900 CB 0.943 11 residues pruned to eliminate duplicates Z: 6 3.933 1.383 0.362 0.575 1.000 0.800 CB 0.868 4 residues pruned to eliminate duplicates Z: 9 8.040 1.877 0.556 0.398 1.000 0.625 CB 1.084 9 residues pruned to eliminate duplicates Z: 14 19.017 1.820 0.886 0.813 1.000 0.615 CA 1.170 14 residues pruned to eliminate duplicates Z: 9 5.348 1.606 0.569 0.487 0.750 0.750 CB 1.013 Z: 8 10.361 1.811 0.410 0.793 1.000 0.714 CA 1.186 8 residues pruned to eliminate duplicates Z: 50 30.155 1.960 0.528 0.587 0.939 0.694 CA 1.409 50 residues pruned to eliminate duplicates Z: 6 5.655 1.643 0.571 0.664 0.800 0.600 CB 1.052 6 residues pruned to eliminate duplicates Z: 12 11.235 1.712 0.705 0.903 1.000 0.818 CB 0.828 12 residues pruned to eliminate duplicates Z: 11 11.054 1.692 0.532 0.900 1.000 0.900 CB 0.963 11 residues pruned to eliminate duplicates Z: 7 6.601 1.684 0.620 0.638 0.833 0.500 CA 1.041 7 residues pruned to eliminate duplicates Z: 7 11.632 1.671 0.979 0.528 1.000 0.833 CB 1.397 9 residues pruned to eliminate duplicates Z: 12 14.345 1.779 0.651 0.891 1.000 0.909 CB 1.059 12 residues pruned to eliminate duplicates Z: 11 10.567 1.859 0.350 0.553 1.000 0.600 CB 1.265 11 residues pruned to eliminate duplicates Z: 6 3.149 1.702 0.234 0.794 0.600 0.600 CB 0.864 6 residues pruned to eliminate duplicates Z: 10 7.842 1.733 0.603 0.470 0.778 0.778 CB 1.248 Z: 14 10.264 1.799 0.512 0.400 0.923 0.538 CB 1.260 14 residues pruned to eliminate duplicates Z: 12 19.585 1.806 0.862 0.924 1.000 0.818 CB 1.233 12 residues pruned to eliminate duplicates Z: 11 20.274 1.947 1.242 0.882 0.800 0.400 CB 1.328 12 residues pruned to eliminate duplicates Z: 11 9.103 1.663 0.143 0.795 0.900 0.700 CA 1.300 11 residues pruned to eliminate duplicates Z: 6 7.959 1.619 0.986 0.609 0.800 0.800 O 1.248 Z: 12 17.484 1.720 0.819 0.935 1.000 0.818 CA 1.174 12 residues pruned to eliminate duplicates Z: 14 11.542 1.716 0.609 0.831 0.846 0.615 CB 1.029 14 residues pruned to eliminate duplicates Z: 15 11.994 1.663 0.508 0.899 0.786 0.500 CB 1.163 15 residues pruned to eliminate duplicates Z: 15 24.736 1.875 0.826 0.866 1.000 0.714 CA 1.414 15 residues pruned to eliminate duplicates Z: 15 28.137 2.044 0.882 0.915 1.000 0.643 CB 1.381 15 residues pruned to eliminate duplicates Z: 55 23.882 1.847 0.608 0.450 0.926 0.556 CB 1.244 55 residues pruned to eliminate duplicates Z: 12 25.750 1.928 1.275 0.877 1.000 0.364 CB 1.285 11 residues pruned to eliminate duplicates Z: 16 26.689 1.915 0.859 0.921 1.000 0.800 CA 1.362 16 residues pruned to eliminate duplicates Z: 9 5.799 1.639 0.915 0.501 0.750 0.500 CB 0.870 7 residues pruned to eliminate duplicates Z: 18 14.703 1.683 0.988 0.687 0.941 0.353 CB 0.955 18 residues pruned to eliminate duplicates Z: 8 11.534 1.745 0.596 0.810 1.000 0.857 CA 1.196 8 residues pruned to eliminate duplicates Z: 50 29.319 1.885 0.843 0.528 0.878 0.510 CB 1.337 50 residues pruned to eliminate duplicates Z: 6 6.593 1.661 0.257 0.649 1.000 0.600 N 1.229 6 residues pruned to eliminate duplicates Z: 7 5.382 1.438 0.572 0.653 0.833 0.833 CA 1.012 7 residues pruned to eliminate duplicates Z: 6 6.410 1.558 0.262 0.639 1.000 0.600 O 1.279 6 residues pruned to eliminate duplicates Z: 9 11.212 1.849 0.854 0.852 0.875 0.625 CB 0.978 9 residues pruned to eliminate duplicates Z: 12 7.139 1.579 0.728 0.317 0.727 0.455 CB 1.328 12 residues pruned to eliminate duplicates Z: 53 29.840 1.966 0.834 0.459 0.904 0.692 CB 1.324 53 residues pruned to eliminate duplicates Z: 62 26.343 1.894 0.663 0.433 0.885 0.639 CB 1.296 62 residues pruned to eliminate duplicates Z: 13 12.610 1.904 0.559 0.498 1.000 0.750 CA 1.229 13 residues pruned to eliminate duplicates Z: 9 4.495 1.559 0.436 0.384 0.750 0.500 CB 1.071 9 residues pruned to eliminate duplicates Z: 15 17.920 1.657 0.904 0.679 0.929 0.929 CA 1.386 10 residues pruned to eliminate duplicates Z: 8 3.616 1.431 0.597 0.305 0.714 0.714 CB 1.040 Z: 10 9.980 1.783 0.340 0.636 1.000 0.667 CB 1.225 9 residues pruned to eliminate duplicates Z: 7 5.085 1.740 0.672 0.383 0.833 0.833 CB 0.970 7 residues pruned to eliminate duplicates Z: 12 5.043 1.386 0.602 0.370 0.818 0.455 CB 0.963 13 residues pruned to eliminate duplicates Z: 8 8.963 1.745 0.455 0.824 1.000 0.571 CB 1.007 7 residues pruned to eliminate duplicates Z: 24 12.880 1.840 0.499 0.509 0.826 0.522 CB 1.168 24 residues pruned to eliminate duplicates Z: 14 20.065 1.797 1.186 0.799 0.923 0.692 CB 1.181 14 residues pruned to eliminate duplicates Z: 13 13.956 1.753 0.721 0.920 0.833 0.333 CB 1.128 13 residues pruned to eliminate duplicates Z: 9 5.576 1.668 0.693 0.450 0.875 0.500 CA 0.839 9 residues pruned to eliminate duplicates Z: 44 28.633 1.853 0.817 0.542 0.930 0.488 CB 1.337 44 residues pruned to eliminate duplicates Z: 14 12.333 1.596 0.663 0.868 0.923 0.846 CA 1.020 14 residues pruned to eliminate duplicates Z: 22 10.686 1.688 0.310 0.616 0.810 0.619 CB 1.167 20 residues pruned to eliminate duplicates Z: 8 6.790 1.608 0.400 0.755 1.000 0.571 CB 0.908 8 residues pruned to eliminate duplicates Z: 12 14.442 1.889 0.348 0.927 1.000 0.909 CB 1.198 12 residues pruned to eliminate duplicates Z: 29 18.393 1.833 0.702 0.468 0.821 0.536 CB 1.401 29 residues pruned to eliminate duplicates Z: 17 9.106 1.734 0.459 0.473 0.875 0.562 CB 1.057 18 residues pruned to eliminate duplicates Z: 27 20.852 1.896 0.718 0.657 0.885 0.731 CB 1.227 27 residues pruned to eliminate duplicates Z: 14 8.585 1.679 0.320 0.778 0.923 0.769 CB 0.911 14 residues pruned to eliminate duplicates Z: 12 19.783 1.941 0.867 0.811 1.000 0.818 CA 1.255 12 residues pruned to eliminate duplicates Z: 8 3.668 1.417 0.693 0.477 0.714 0.571 CB 0.829 Z: 13 18.080 1.878 0.729 0.935 0.917 0.750 CA 1.222 13 residues pruned to eliminate duplicates Z: 8 5.876 1.545 0.324 0.700 0.857 0.571 CB 1.055 8 residues pruned to eliminate duplicates Z: 12 4.721 1.602 0.311 0.398 0.818 0.455 CB 0.923 12 residues pruned to eliminate duplicates Z: 23 15.483 1.785 0.756 0.516 0.864 0.773 CB 1.200 23 residues pruned to eliminate duplicates Z: 20 10.515 1.702 0.588 0.501 0.895 0.684 CB 0.997 31 residues pruned to eliminate duplicates Z: 8 10.804 1.864 0.338 0.886 1.000 0.857 CA 1.181 8 residues pruned to eliminate duplicates Z: 8 6.354 1.665 0.646 0.814 0.857 0.857 CB 0.778 Z: 9 14.863 1.980 0.605 0.847 1.000 0.750 CB 1.227 9 residues pruned to eliminate duplicates Z: 12 10.073 1.621 0.895 0.819 0.818 0.545 CB 0.916 12 residues pruned to eliminate duplicates Z: 60 28.572 1.922 0.797 0.429 0.847 0.508 CB 1.368 60 residues pruned to eliminate duplicates Z: 16 27.181 1.887 0.820 0.904 1.000 0.533 CA 1.456 16 residues pruned to eliminate duplicates Z: 9 7.204 1.481 0.647 0.467 0.875 0.750 N 1.233 9 residues pruned to eliminate duplicates Z: 8 3.372 1.591 0.246 0.425 0.714 0.714 CB 0.973 8 residues pruned to eliminate duplicates Z: 16 19.277 1.909 0.661 0.855 1.000 0.800 CA 1.158 16 residues pruned to eliminate duplicates Z: 9 4.940 1.723 0.534 0.356 0.750 0.375 CA 1.029 9 residues pruned to eliminate duplicates Z: 12 28.703 1.969 1.266 0.920 0.909 0.273 CB 1.503 12 residues pruned to eliminate duplicates Z: 14 12.659 1.830 0.657 0.581 0.846 0.769 CA 1.265 14 residues pruned to eliminate duplicates Z: 22 16.064 1.871 0.691 0.568 0.905 0.524 CB 1.146 22 residues pruned to eliminate duplicates Z: 9 10.726 1.511 0.796 0.894 1.000 0.625 CA 1.003 9 residues pruned to eliminate duplicates Z: 13 16.880 1.887 0.477 0.912 1.000 0.750 CA 1.238 13 residues pruned to eliminate duplicates Z: 12 18.255 1.768 0.875 0.908 1.000 0.636 CB 1.178 12 residues pruned to eliminate duplicates Z: 27 23.045 1.900 0.744 0.647 0.846 0.692 CA 1.405 27 residues pruned to eliminate duplicates Z: 8 2.850 1.561 0.172 0.204 0.857 0.571 CB 0.976 Z: 8 4.060 1.699 0.128 0.837 1.000 0.571 CB 0.599 8 residues pruned to eliminate duplicates Z: 6 4.993 1.625 0.473 0.757 0.800 0.400 CA 0.928 Z: 8 4.578 1.676 0.338 0.574 0.857 0.571 CB 0.838 8 residues pruned to eliminate duplicates Z: 13 7.088 1.604 0.346 0.590 0.833 0.667 CB 1.043 13 residues pruned to eliminate duplicates Z: 7 4.831 1.433 0.516 0.547 0.833 0.667 CA 1.040 Z: 15 14.640 1.810 0.785 0.398 0.929 0.571 CA 1.453 15 residues pruned to eliminate duplicates Z: 15 8.184 1.575 0.469 0.392 0.857 0.643 CB 1.237 15 residues pruned to eliminate duplicates Z: 15 16.374 1.723 0.713 0.810 0.929 0.786 CA 1.219 15 residues pruned to eliminate duplicates Z: 11 17.955 1.838 1.115 0.912 1.000 0.500 CB 1.035 11 residues pruned to eliminate duplicates Z: 7 3.381 1.696 0.124 0.267 0.833 0.500 CB 1.132 7 residues pruned to eliminate duplicates Z: 22 21.703 1.898 0.771 0.627 0.952 0.476 CB 1.313 22 residues pruned to eliminate duplicates Z: 6 3.324 1.559 0.286 0.463 0.800 0.600 N 0.963 6 residues pruned to eliminate duplicates Z: 12 11.567 1.682 0.891 0.895 1.000 0.727 CB 0.786 12 residues pruned to eliminate duplicates Z: 9 3.426 1.524 0.137 0.275 0.750 0.250 CB 1.204 Z: 12 14.263 1.587 0.625 0.861 1.000 0.727 CB 1.225 12 residues pruned to eliminate duplicates Z: 11 10.859 1.789 0.675 0.893 1.000 0.600 CB 0.823 11 residues pruned to eliminate duplicates Z: 13 15.402 1.778 0.827 0.775 0.917 0.417 CB 1.171 13 residues pruned to eliminate duplicates Z: 13 11.876 1.641 0.346 0.888 1.000 0.833 CA 1.118 13 residues pruned to eliminate duplicates Z: 10 11.256 1.739 0.585 0.894 0.889 0.889 CB 1.099 10 residues pruned to eliminate duplicates Z: 49 30.261 1.909 0.668 0.587 0.979 0.583 CA 1.289 49 residues pruned to eliminate duplicates Z: 14 12.901 1.542 0.641 0.935 1.000 0.923 CB 0.985 14 residues pruned to eliminate duplicates Z: 12 14.711 1.743 0.824 0.798 0.818 0.455 CB 1.314 12 residues pruned to eliminate duplicates Z: 21 7.540 1.721 0.469 0.271 0.900 0.500 CB 0.961 21 residues pruned to eliminate duplicates Z: 25 17.465 1.848 0.629 0.561 0.875 0.708 CB 1.276 25 residues pruned to eliminate duplicates Z: 17 24.731 1.903 0.793 0.925 1.000 0.938 CA 1.272 17 residues pruned to eliminate duplicates Z: 43 28.328 1.859 0.778 0.646 0.881 0.714 CA 1.310 43 residues pruned to eliminate duplicates Z: 33 19.310 1.826 0.529 0.533 0.906 0.562 CB 1.306 33 residues pruned to eliminate duplicates Z: 14 7.934 1.699 0.279 0.336 0.923 0.385 CA 1.313 14 residues pruned to eliminate duplicates Z: 7 4.909 1.723 0.410 0.765 0.667 0.500 CB 0.978 7 residues pruned to eliminate duplicates Z: 8 3.580 1.728 0.521 0.331 0.571 0.571 CB 1.084 Z: 13 21.733 1.919 0.883 0.893 1.000 0.750 CA 1.246 13 residues pruned to eliminate duplicates Z: 12 10.971 1.749 0.752 0.882 0.818 0.364 CB 0.954 12 residues pruned to eliminate duplicates Z: 47 22.027 1.859 0.614 0.509 0.891 0.609 CB 1.204 47 residues pruned to eliminate duplicates Z: 28 14.159 1.785 0.651 0.621 0.778 0.407 CB 1.061 28 residues pruned to eliminate duplicates Z: 7 10.045 1.820 0.564 0.671 0.833 0.667 CA 1.477 7 residues pruned to eliminate duplicates Z: 17 19.503 1.833 0.834 0.843 0.750 0.375 CB 1.440 17 residues pruned to eliminate duplicates Z: 9 9.512 1.838 0.664 0.873 1.000 0.875 CB 0.801 9 residues pruned to eliminate duplicates Z: 9 8.466 1.619 0.273 0.853 1.000 0.625 CB 1.073 9 residues pruned to eliminate duplicates Z: 19 11.159 1.720 0.463 0.467 0.778 0.556 CB 1.390 28 residues pruned to eliminate duplicates Z: 6 5.430 1.221 0.642 0.821 1.000 0.800 O 0.917 Z: 14 20.045 1.807 0.790 0.833 0.923 0.462 CA 1.397 14 residues pruned to eliminate duplicates Z: 33 26.665 1.964 0.745 0.575 0.906 0.562 CA 1.412 33 residues pruned to eliminate duplicates Z: 11 7.383 1.570 0.597 0.592 0.900 0.800 CB 0.948 11 residues pruned to eliminate duplicates Z: 10 9.005 1.735 0.604 0.516 0.889 0.667 CA 1.194 10 residues pruned to eliminate duplicates Z: 10 7.586 1.734 0.303 0.853 1.000 0.444 CB 0.827 10 residues pruned to eliminate duplicates Z: 14 8.227 1.446 0.396 0.915 0.923 0.923 CB 0.866 14 residues pruned to eliminate duplicates Z: 9 3.575 1.440 0.459 0.310 0.750 0.500 N 0.991 Z: 13 16.381 1.791 0.595 0.901 1.000 0.667 CB 1.181 13 residues pruned to eliminate duplicates Z: 11 17.414 1.915 0.645 0.913 1.000 0.800 CB 1.237 11 residues pruned to eliminate duplicates Z: 13 15.807 1.686 0.798 0.895 1.000 0.833 CB 1.079 13 residues pruned to eliminate duplicates Z: 37 15.759 1.731 0.749 0.371 0.861 0.528 CA 1.156 37 residues pruned to eliminate duplicates Z: 11 10.531 1.726 0.725 0.350 1.000 0.600 CA 1.315 11 residues pruned to eliminate duplicates Z: 17 26.466 1.918 0.726 0.912 1.000 0.812 CA 1.416 17 residues pruned to eliminate duplicates Z: 10 6.658 1.559 0.550 0.701 0.778 0.444 CB 0.983 10 residues pruned to eliminate duplicates Z: 25 23.766 1.932 0.580 0.662 0.958 0.792 CB 1.427 24 residues pruned to eliminate duplicates Z: 11 11.108 1.738 0.411 0.914 0.900 0.700 CB 1.125 11 residues pruned to eliminate duplicates Z: 68 34.835 1.892 0.737 0.621 0.925 0.597 CB 1.248 68 residues pruned to eliminate duplicates 7 1.643 1.054 0.686 0.249 0.667 0.500 C 0.756 ? Z: 7 3.117 1.649 0.294 0.202 0.833 0.167 CB 1.020 7 residues pruned to eliminate duplicates Z: 22 18.196 1.913 0.874 0.577 0.905 0.619 CB 1.137 30 residues pruned to eliminate duplicates Z: 7 9.813 1.682 1.056 0.518 0.833 0.833 CA 1.366 7 residues pruned to eliminate duplicates Z: 19 5.204 1.471 0.482 0.316 0.667 0.444 CB 1.034 19 residues pruned to eliminate duplicates Z: 24 10.298 1.651 0.414 0.621 0.957 0.565 CB 0.858 24 residues pruned to eliminate duplicates Z: 45 28.800 1.868 0.709 0.526 0.977 0.614 CA 1.356 71 residues pruned to eliminate duplicates Z: 28 13.790 1.866 0.625 0.260 0.815 0.593 CA 1.414 28 residues pruned to eliminate duplicates Z: 9 8.189 1.652 0.566 0.607 1.000 0.500 CA 1.011 9 residues pruned to eliminate duplicates Z: 20 17.990 1.952 0.547 0.575 0.895 0.684 CB 1.420 20 residues pruned to eliminate duplicates 6 0.977 1.388 -0.190 0.314 0.600 0.200 CB 0.796 ? Z: 26 20.274 1.923 0.804 0.484 0.880 0.640 CA 1.349 26 residues pruned to eliminate duplicates Z: 13 18.009 1.785 0.944 0.925 1.000 0.833 CB 1.051 13 residues pruned to eliminate duplicates Z: 10 8.729 1.713 0.450 0.830 1.000 0.667 CB 0.881 9 residues pruned to eliminate duplicates Z: 6 4.168 1.478 0.341 0.420 1.000 0.600 CB 1.022 6 residues pruned to eliminate duplicates Z: 17 11.692 1.833 0.676 0.394 0.875 0.312 CB 1.216 17 residues pruned to eliminate duplicates Z: 14 25.176 2.003 0.819 0.920 1.000 0.923 CA 1.349 14 residues pruned to eliminate duplicates Z: 7 5.667 1.465 0.292 0.659 1.000 1.000 CB 1.054 8 residues pruned to eliminate duplicates Z: 12 20.328 1.998 0.950 0.906 1.000 0.818 CB 1.119 12 residues pruned to eliminate duplicates Z: 10 6.399 1.579 0.782 0.501 0.889 0.444 CB 0.851 10 residues pruned to eliminate duplicates Z: 14 12.197 1.846 0.453 0.470 1.000 0.846 CB 1.300 14 residues pruned to eliminate duplicates Z: 14 5.664 1.780 0.195 0.450 0.846 0.462 CB 0.919 14 residues pruned to eliminate duplicates Z: 30 17.456 1.781 0.672 0.430 0.897 0.621 CA 1.306 30 residues pruned to eliminate duplicates Z: 12 9.594 1.673 0.647 0.890 0.909 0.545 CB 0.831 12 residues pruned to eliminate duplicates Z: 7 3.797 1.370 0.803 0.282 0.833 0.500 CB 0.963 Z: 13 17.385 1.672 0.928 0.936 1.000 0.750 CB 1.084 28 residues pruned to eliminate duplicates Z: 8 8.359 1.734 0.413 0.825 1.000 0.714 CB 0.973 Z: 28 11.268 1.745 0.424 0.251 0.852 0.444 CB 1.363 28 residues pruned to eliminate duplicates Z: 18 14.800 1.805 0.674 0.530 0.941 0.647 CA 1.226 18 residues pruned to eliminate duplicates Z: 17 13.952 1.812 0.791 0.509 0.875 0.750 CB 1.217 17 residues pruned to eliminate duplicates Z: 10 15.062 1.762 0.874 0.857 1.000 0.778 CB 1.120 10 residues pruned to eliminate duplicates Z: 9 10.860 1.719 1.133 0.562 0.875 0.750 CA 1.127 9 residues pruned to eliminate duplicates Z: 14 21.835 1.862 0.689 0.910 1.000 0.538 CA 1.366 14 residues pruned to eliminate duplicates Z: 18 12.575 1.755 0.612 0.362 0.882 0.824 CA 1.417 25 residues pruned to eliminate duplicates Z: 14 17.347 1.808 0.700 0.885 0.923 0.846 CB 1.224 14 residues pruned to eliminate duplicates Z: 13 11.953 1.683 0.612 0.730 0.917 0.500 CB 1.128 13 residues pruned to eliminate duplicates Z: 23 15.105 1.646 0.643 0.455 1.000 0.636 CB 1.247 23 residues pruned to eliminate duplicates Z: 36 22.650 1.829 0.836 0.521 0.886 0.600 CA 1.261 36 residues pruned to eliminate duplicates Z: 6 7.197 1.819 0.057 0.863 1.000 1.000 CA 1.228 6 residues pruned to eliminate duplicates Z: 16 14.252 1.889 0.659 0.611 0.867 0.467 CB 1.219 16 residues pruned to eliminate duplicates Z: 14 14.985 1.624 0.680 0.877 1.000 0.692 CA 1.106 14 residues pruned to eliminate duplicates Z: 12 24.021 1.755 1.083 0.839 1.000 0.455 N 1.480 12 residues pruned to eliminate duplicates Z: 13 12.553 1.728 0.378 0.858 1.000 0.833 CB 1.121 13 residues pruned to eliminate duplicates Z: 18 10.471 1.705 0.678 0.387 0.824 0.706 CB 1.215 18 residues pruned to eliminate duplicates Z: 10 12.838 1.911 0.819 0.581 1.000 0.444 CB 1.139 10 residues pruned to eliminate duplicates Z: 13 17.299 1.896 0.855 0.759 0.917 0.750 CA 1.229 13 residues pruned to eliminate duplicates Z: 41 14.260 1.841 0.434 0.338 0.875 0.350 CB 1.165 47 residues pruned to eliminate duplicates Z: 42 31.942 1.967 0.788 0.505 0.976 0.537 CB 1.447 42 residues pruned to eliminate duplicates Z: 22 12.630 1.720 0.507 0.540 0.905 0.619 CB 1.131 22 residues pruned to eliminate duplicates Z: 7 3.207 1.537 0.239 0.463 0.667 0.333 CB 1.071 Z: 6 3.717 1.571 0.031 0.496 1.000 0.600 CB 1.030 Z: 32 21.151 1.838 0.548 0.557 0.935 0.742 CA 1.350 32 residues pruned to eliminate duplicates Z: 8 7.143 1.666 0.494 0.759 1.000 0.571 CB 0.862 8 residues pruned to eliminate duplicates Z: 6 3.360 1.459 0.141 0.383 1.000 0.400 N 1.022 Z: 15 17.547 1.817 0.787 0.604 1.000 0.643 CA 1.308 15 residues pruned to eliminate duplicates Z: 7 4.865 1.289 0.473 0.748 1.000 0.667 N 0.838 7 residues pruned to eliminate duplicates Z: 12 20.386 1.953 0.670 0.876 1.000 0.545 CA 1.370 12 residues pruned to eliminate duplicates Z: 14 17.145 1.913 0.684 0.918 0.923 0.385 CB 1.128 14 residues pruned to eliminate duplicates Z: 13 8.264 1.797 0.546 0.308 1.000 0.667 CB 1.063 13 residues pruned to eliminate duplicates Z: 41 20.002 1.719 0.673 0.508 0.900 0.475 CB 1.212 41 residues pruned to eliminate duplicates Z: 19 26.567 2.024 0.925 0.727 1.000 0.667 CA 1.310 19 residues pruned to eliminate duplicates Z: 6 6.580 1.734 0.334 0.862 1.000 0.800 CA 0.934 6 residues pruned to eliminate duplicates Z: 7 2.086 1.669 0.505 0.240 0.667 0.333 CB 0.687 7 residues pruned to eliminate duplicates Z: 12 5.190 1.537 0.530 0.379 0.636 0.545 CB 1.189 12 residues pruned to eliminate duplicates Z: 14 11.400 1.703 0.523 0.819 0.923 0.846 CB 1.001 14 residues pruned to eliminate duplicates Z: 14 24.512 1.920 0.938 0.887 1.000 0.692 CB 1.317 14 residues pruned to eliminate duplicates Z: 26 22.134 1.956 0.500 0.603 0.960 0.800 CB 1.426 26 residues pruned to eliminate duplicates Z: 6 2.057 1.296 0.915 0.576 0.600 0.400 CB 0.574 Z: 14 12.256 1.648 0.534 0.869 1.000 0.692 CB 0.982 14 residues pruned to eliminate duplicates Z: 10 5.922 1.667 0.104 0.770 1.000 0.667 CA 0.845 10 residues pruned to eliminate duplicates Z: 7 5.779 1.616 0.158 0.669 1.000 0.833 CA 1.078 7 residues pruned to eliminate duplicates Z: 9 10.352 1.794 0.383 0.846 1.000 0.625 CA 1.096 7 residues pruned to eliminate duplicates Z: 18 24.163 1.969 0.789 0.703 0.941 0.294 CA 1.470 18 residues pruned to eliminate duplicates Z: 14 4.852 1.653 0.601 0.154 0.692 0.385 CB 1.122 14 residues pruned to eliminate duplicates Z: 10 13.270 1.798 0.745 0.900 1.000 0.889 CB 1.007 10 residues pruned to eliminate duplicates Z: 49 32.315 1.948 0.620 0.634 0.958 0.729 CB 1.361 49 residues pruned to eliminate duplicates Z: 8 3.942 1.111 0.722 0.586 0.857 0.429 N 0.837 Z: 9 7.268 1.829 0.800 0.738 0.750 0.750 CB 0.841 9 residues pruned to eliminate duplicates Z: 29 19.323 1.803 0.738 0.534 0.929 0.571 CB 1.214 25 residues pruned to eliminate duplicates Z: 8 8.561 1.771 0.370 0.861 1.000 0.857 CB 0.980 8 residues pruned to eliminate duplicates Z: 38 23.783 1.865 0.609 0.581 0.946 0.676 CB 1.275 38 residues pruned to eliminate duplicates Z: 16 25.489 2.031 0.745 0.899 1.000 0.800 CA 1.327 16 residues pruned to eliminate duplicates Z: 16 8.742 1.795 0.711 0.465 0.867 0.400 CB 0.879 16 residues pruned to eliminate duplicates Z: 15 14.710 1.716 0.561 0.802 1.000 0.786 CA 1.127 15 residues pruned to eliminate duplicates Z: 8 7.633 1.637 1.136 0.338 0.714 0.286 CB 1.378 8 residues pruned to eliminate duplicates Z: 9 7.475 1.805 0.314 0.521 0.875 0.750 CB 1.247 9 residues pruned to eliminate duplicates Z: 12 12.110 1.642 0.909 0.844 0.909 0.636 CB 0.953 12 residues pruned to eliminate duplicates Z: 30 24.199 1.939 0.711 0.474 0.931 0.621 CB 1.494 30 residues pruned to eliminate duplicates Z: 10 10.702 1.993 0.521 0.367 0.889 0.667 CB 1.526 10 residues pruned to eliminate duplicates Z: 13 11.935 1.741 0.425 0.728 0.917 0.833 CA 1.234 12 residues pruned to eliminate duplicates Z: 9 7.705 1.672 1.025 0.520 0.750 0.625 CB 1.052 9 residues pruned to eliminate duplicates Z: 17 11.401 1.733 0.726 0.577 0.875 0.500 CA 1.011 17 residues pruned to eliminate duplicates Z: 6 2.995 1.316 0.527 0.478 0.800 0.600 CA 0.852 Z: 12 3.254 1.376 0.259 0.248 0.818 0.636 CB 0.925 12 residues pruned to eliminate duplicates Z: 6 3.446 1.156 0.939 0.677 0.800 0.600 N 0.731 Z: 36 27.061 1.926 0.705 0.546 0.971 0.657 CB 1.371 36 residues pruned to eliminate duplicates Z: 50 26.896 1.870 0.679 0.524 0.959 0.571 CB 1.245 50 residues pruned to eliminate duplicates Z: 6 11.253 1.780 0.794 0.820 1.000 0.800 CA 1.194 5 residues pruned to eliminate duplicates Z: 10 5.022 1.808 0.647 0.203 0.667 0.333 CA 1.200 10 residues pruned to eliminate duplicates Z: 26 17.673 1.867 0.597 0.595 0.880 0.800 CA 1.230 26 residues pruned to eliminate duplicates 6 1.813 1.355 0.144 0.115 0.800 0.400 N 1.063 ? Z: 7 2.157 1.394 0.272 0.376 0.667 0.333 CA 0.851 Z: 55 23.966 1.757 0.699 0.542 0.907 0.556 CB 1.155 55 residues pruned to eliminate duplicates Z: 11 3.204 1.464 0.899 0.150 0.500 0.500 CB 1.121 Z: 11 8.301 1.696 0.288 0.535 0.900 0.800 CB 1.290 11 residues pruned to eliminate duplicates Z: 58 22.349 1.806 0.543 0.417 0.912 0.544 CB 1.270 58 residues pruned to eliminate duplicates Z: 10 5.807 1.514 0.732 0.502 0.778 0.556 CA 0.948 10 residues pruned to eliminate duplicates Z: 9 4.136 1.666 -0.088 0.453 0.750 0.625 C 1.346 Z: 14 12.586 1.754 0.587 0.836 0.846 0.615 CB 1.110 14 residues pruned to eliminate duplicates Z: 12 7.827 1.803 0.581 0.459 0.727 0.545 CB 1.187 12 residues pruned to eliminate duplicates Z: 7 4.543 1.697 0.492 0.468 1.000 0.667 CA 0.757 7 residues pruned to eliminate duplicates Z: 29 21.284 1.912 0.555 0.568 0.893 0.643 CA 1.419 29 residues pruned to eliminate duplicates Z: 26 20.277 1.899 0.553 0.626 0.920 0.560 CA 1.328 26 residues pruned to eliminate duplicates Z: 9 9.158 1.691 0.977 0.422 0.875 0.250 CA 1.201 8 residues pruned to eliminate duplicates Z: 7 10.237 1.898 0.347 0.870 0.833 0.500 CA 1.432 7 residues pruned to eliminate duplicates Z: 44 25.948 1.848 0.745 0.492 0.907 0.419 CA 1.364 44 residues pruned to eliminate duplicates Z: 40 20.149 1.799 0.528 0.624 0.897 0.667 CB 1.164 40 residues pruned to eliminate duplicates Z: 13 8.906 1.727 0.445 0.308 0.917 0.667 CA 1.392 11 residues pruned to eliminate duplicates Z: 13 19.110 1.846 0.666 0.775 1.000 0.750 CA 1.407 13 residues pruned to eliminate duplicates Z: 13 18.809 1.937 0.478 0.870 1.000 0.833 CA 1.385 13 residues pruned to eliminate duplicates Z: 13 19.109 1.856 0.878 0.858 1.000 0.667 CA 1.165 13 residues pruned to eliminate duplicates Z: 27 21.193 1.837 0.802 0.613 0.885 0.577 CB 1.275 27 residues pruned to eliminate duplicates Z: 10 8.977 1.697 0.446 0.851 0.778 0.556 CB 1.161 10 residues pruned to eliminate duplicates Z: 12 21.493 1.910 0.879 0.852 1.000 0.545 CB 1.336 12 residues pruned to eliminate duplicates Z: 19 7.538 1.820 0.370 0.287 0.833 0.389 CB 1.087 21 residues pruned to eliminate duplicates Z: 10 11.975 1.868 0.452 0.681 1.000 0.889 CB 1.246 10 residues pruned to eliminate duplicates Z: 12 12.174 1.720 0.451 0.914 1.000 0.727 CB 1.040 12 residues pruned to eliminate duplicates Z: 6 3.877 1.508 0.192 0.553 1.000 0.600 CB 0.916 Z: 30 19.181 1.765 0.803 0.435 0.897 0.621 CB 1.335 30 residues pruned to eliminate duplicates Z: 43 26.429 1.919 0.716 0.508 0.881 0.643 CA 1.394 43 residues pruned to eliminate duplicates Z: 13 23.405 1.903 1.010 0.939 1.000 0.500 CA 1.228 13 residues pruned to eliminate duplicates Z: 6 2.162 1.343 0.434 0.518 0.800 0.200 CB 0.617 Z: 14 21.716 1.764 0.885 0.879 1.000 0.692 N 1.314 14 residues pruned to eliminate duplicates Z: 15 11.862 1.716 0.569 0.465 0.929 0.714 CA 1.314 15 residues pruned to eliminate duplicates Z: 37 22.096 1.873 0.734 0.527 0.972 0.639 CB 1.136 37 residues pruned to eliminate duplicates Z: 14 9.393 1.665 0.737 0.314 0.769 0.538 CB 1.438 14 residues pruned to eliminate duplicates Z: 9 14.644 1.813 0.741 0.546 1.000 0.125 C 1.568 9 residues pruned to eliminate duplicates 1018 residues left after pruning, divided into chains as follows: A: 59 B: 14 C: 14 D: 8 E: 10 F: 76 G: 6 H: 8 I: 16 J: 16 K: 6 L: 26 M: 152 N: 80 O: 9 P: 23 Q: 8 R: 18 S: 12 T: 77 U: 70 V: 61 W: 153 X: 60 Y: 17 Z: 19 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 52.11 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.357, Connect. = 0.693 for dens.mod. cycle 1 = 0.300, Contrast = 0.427, Connect. = 0.732 for dens.mod. cycle 2 = 0.300, Contrast = 0.507, Connect. = 0.757 for dens.mod. cycle 3 = 0.300, Contrast = 0.517, Connect. = 0.760 for dens.mod. cycle 4 = 0.300, Contrast = 0.528, Connect. = 0.763 for dens.mod. cycle 5 = 0.300, Contrast = 0.532, Connect. = 0.765 for dens.mod. cycle 6 = 0.300, Contrast = 0.536, Connect. = 0.766 for dens.mod. cycle 7 = 0.300, Contrast = 0.538, Connect. = 0.768 for dens.mod. cycle 8 = 0.300, Contrast = 0.540, Connect. = 0.769 for dens.mod. cycle 9 = 0.300, Contrast = 0.541, Connect. = 0.769 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 5302 peaks > 0.5 sigma used to seed fragment search Space for about 1304 unique residues taking solvent into account 1316 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 16 23.516 1.968 0.757 0.885 0.933 0.733 CA 1.359 B: 14 33.006 2.204 0.908 0.899 1.000 0.846 CA 1.556 C: 14 24.587 2.142 0.482 0.862 1.000 0.462 CA 1.576 14 residues pruned to eliminate duplicates D: 13 21.854 2.091 0.585 0.925 0.917 0.667 CB 1.457 E: 15 30.103 2.088 1.004 0.890 0.929 0.571 CA 1.490 14 residues pruned to eliminate duplicates F: 16 23.048 1.894 0.764 0.913 0.933 0.667 CB 1.350 G: 15 28.613 2.025 0.909 0.901 1.000 0.714 CA 1.412 16 residues pruned to eliminate duplicates H: 16 27.679 2.087 0.620 0.898 1.000 0.800 CA 1.512 I: 13 27.389 2.101 0.791 0.925 1.000 0.833 CB 1.475 12 residues pruned to eliminate duplicates J: 14 25.980 2.119 0.794 0.851 0.923 0.538 CA 1.520 14 residues pruned to eliminate duplicates K: 14 30.515 2.121 0.911 0.863 1.000 0.692 CA 1.532 15 residues pruned to eliminate duplicates L: 15 26.538 2.099 1.013 0.839 0.857 0.429 CA 1.462 15 residues pruned to eliminate duplicates M: 16 23.922 2.069 0.617 0.895 1.000 0.800 CA 1.323 16 residues pruned to eliminate duplicates N: 17 17.626 1.935 0.625 0.828 0.938 0.625 CA 1.126 16 residues pruned to eliminate duplicates O: 12 10.710 1.948 0.489 0.738 0.909 0.636 CB 0.989 P: 15 29.882 2.047 0.858 0.874 0.929 0.714 CA 1.646 16 residues pruned to eliminate duplicates Q: 12 21.148 2.144 0.743 0.915 1.000 0.909 CB 1.206 R: 14 18.405 1.944 0.582 0.926 0.923 0.923 CB 1.261 S: 12 21.360 2.180 0.306 0.904 1.000 0.909 CA 1.611 T: 14 22.391 2.083 0.485 0.921 1.000 0.846 CA 1.413 U: 12 16.639 1.988 0.541 0.853 0.909 0.818 CB 1.332 12 residues pruned to eliminate duplicates V: 17 22.850 1.968 0.659 0.909 1.000 0.875 CA 1.242 W: 11 21.325 2.055 0.766 0.867 1.000 0.700 CB 1.359 13 residues pruned to eliminate duplicates X: 9 18.715 1.958 0.958 0.897 1.000 0.875 CB 1.236 12 residues pruned to eliminate duplicates Y: 9 14.725 2.032 0.300 0.876 0.875 0.875 CA 1.636 Z: 16 21.593 1.894 0.843 0.863 0.933 0.467 CB 1.256 16 residues pruned to eliminate duplicates Z: 13 24.034 2.102 0.502 0.928 1.000 0.583 CA 1.538 14 residues pruned to eliminate duplicates Z: 15 22.230 2.058 0.634 0.886 1.000 0.929 CA 1.275 14 residues pruned to eliminate duplicates Z: 15 27.483 2.102 0.858 0.878 0.929 0.714 CA 1.470 15 residues pruned to eliminate duplicates Z: 16 27.339 2.116 0.726 0.908 1.000 0.800 CA 1.372 Z: 18 23.054 1.991 0.505 0.870 1.000 0.647 CA 1.362 18 residues pruned to eliminate duplicates Z: 15 23.860 1.980 0.661 0.886 1.000 0.714 CA 1.399 Z: 10 17.432 1.864 0.952 0.907 1.000 0.778 CB 1.135 Z: 17 31.375 2.098 0.983 0.883 1.000 0.500 CA 1.364 Z: 13 21.907 2.089 0.525 0.881 1.000 0.833 CA 1.438 12 residues pruned to eliminate duplicates Z: 13 17.803 2.054 0.799 0.841 0.750 0.500 CB 1.383 13 residues pruned to eliminate duplicates Z: 11 19.746 2.092 0.558 0.900 1.000 1.000 CA 1.368 Z: 6 13.024 1.971 0.813 0.836 1.000 0.600 CA 1.220 Z: 13 23.446 2.061 0.970 0.857 0.917 0.667 CA 1.339 13 residues pruned to eliminate duplicates Z: 14 23.673 1.987 0.652 0.938 1.000 0.692 CA 1.391 14 residues pruned to eliminate duplicates Z: 21 11.571 1.816 0.432 0.411 0.850 0.600 CB 1.285 Z: 15 30.967 2.185 0.985 0.875 1.000 0.357 CA 1.387 15 residues pruned to eliminate duplicates Z: 12 19.649 2.198 0.306 0.906 1.000 0.727 CB 1.468 12 residues pruned to eliminate duplicates Z: 13 18.845 1.940 0.827 0.836 0.833 0.750 CB 1.378 13 residues pruned to eliminate duplicates Z: 13 23.885 2.003 0.723 0.890 1.000 0.583 CB 1.437 13 residues pruned to eliminate duplicates Z: 17 20.037 2.013 0.303 0.864 0.938 0.750 CA 1.494 11 residues pruned to eliminate duplicates Z: 13 24.572 2.119 0.577 0.914 1.000 0.750 CA 1.501 13 residues pruned to eliminate duplicates Z: 15 23.393 2.026 0.731 0.915 0.929 0.786 CB 1.357 15 residues pruned to eliminate duplicates Z: 12 27.860 2.149 0.851 0.912 1.000 0.545 CA 1.496 12 residues pruned to eliminate duplicates Z: 17 24.438 1.955 0.753 0.888 1.000 0.625 CA 1.284 17 residues pruned to eliminate duplicates Z: 14 26.011 2.199 0.555 0.924 1.000 0.923 CA 1.482 14 residues pruned to eliminate duplicates Z: 15 19.930 1.973 0.666 0.822 0.929 0.643 CB 1.320 15 residues pruned to eliminate duplicates Z: 15 27.232 2.111 0.814 0.899 0.929 0.571 CA 1.463 15 residues pruned to eliminate duplicates Z: 13 23.276 2.194 0.473 0.934 1.000 0.917 CA 1.450 13 residues pruned to eliminate duplicates Z: 10 19.417 2.229 0.449 0.909 1.000 0.889 CB 1.422 10 residues pruned to eliminate duplicates Z: 13 17.793 2.035 0.294 0.881 1.000 0.750 CA 1.412 13 residues pruned to eliminate duplicates Z: 14 23.747 2.021 0.719 0.913 1.000 0.692 CB 1.342 14 residues pruned to eliminate duplicates Z: 34 21.916 1.995 0.672 0.460 0.909 0.788 CA 1.311 Z: 14 22.275 2.017 0.755 0.924 0.923 0.923 CA 1.327 14 residues pruned to eliminate duplicates Z: 13 17.804 1.967 0.430 0.858 0.917 0.833 CB 1.468 Z: 17 20.383 2.038 0.477 0.862 0.938 0.812 CA 1.326 17 residues pruned to eliminate duplicates Z: 15 23.564 1.971 0.863 0.808 1.000 0.429 CA 1.311 15 residues pruned to eliminate duplicates Z: 14 20.389 2.036 0.660 0.847 0.846 0.692 CA 1.469 14 residues pruned to eliminate duplicates Z: 17 21.784 2.076 0.356 0.811 1.000 0.562 CA 1.476 17 residues pruned to eliminate duplicates Z: 10 7.867 1.752 0.544 0.380 0.778 0.778 CA 1.416 Z: 15 23.939 2.101 0.590 0.885 1.000 0.786 CA 1.383 15 residues pruned to eliminate duplicates Z: 41 26.801 1.986 0.778 0.503 0.875 0.400 CA 1.366 14 residues pruned to eliminate duplicates Z: 34 15.876 1.790 0.539 0.385 0.879 0.636 CB 1.290 10 residues pruned to eliminate duplicates Z: 14 25.495 2.024 0.717 0.936 1.000 0.846 CA 1.417 13 residues pruned to eliminate duplicates Z: 13 26.398 2.242 0.558 0.939 1.000 0.833 CA 1.517 13 residues pruned to eliminate duplicates Z: 11 15.584 1.713 0.753 0.880 1.000 0.700 CA 1.190 11 residues pruned to eliminate duplicates Z: 17 16.732 1.929 0.476 0.881 0.938 0.750 CA 1.135 17 residues pruned to eliminate duplicates Z: 13 24.981 2.118 0.632 0.904 1.000 0.667 CA 1.486 13 residues pruned to eliminate duplicates Z: 39 22.039 1.987 0.509 0.428 0.895 0.553 CB 1.436 9 residues pruned to eliminate duplicates Z: 16 33.502 2.192 0.856 0.890 1.000 0.667 CA 1.529 16 residues pruned to eliminate duplicates Z: 14 16.409 1.816 0.469 0.770 1.000 0.769 CA 1.343 14 residues pruned to eliminate duplicates Z: 11 16.034 1.843 0.840 0.810 0.800 0.600 CA 1.427 Z: 11 15.848 2.018 0.437 0.909 1.000 1.000 CA 1.226 Z: 14 22.276 2.010 0.902 0.853 0.923 0.308 CB 1.294 14 residues pruned to eliminate duplicates Z: 11 11.946 1.716 0.455 0.901 1.000 0.900 CA 1.080 11 residues pruned to eliminate duplicates Z: 15 25.410 2.010 0.699 0.899 1.000 0.786 CB 1.422 16 residues pruned to eliminate duplicates Z: 10 19.110 1.957 0.857 0.855 0.889 0.667 CA 1.456 Z: 16 18.329 1.955 0.474 0.881 0.933 0.733 CB 1.274 14 residues pruned to eliminate duplicates Z: 15 32.297 2.119 0.897 0.909 0.929 0.357 CA 1.641 15 residues pruned to eliminate duplicates Z: 13 20.097 1.984 0.443 0.865 1.000 0.750 CA 1.485 13 residues pruned to eliminate duplicates Z: 14 20.105 2.001 0.457 0.917 1.000 0.923 CB 1.350 14 residues pruned to eliminate duplicates Z: 9 7.605 1.856 0.435 0.316 0.875 0.750 O 1.414 9 residues pruned to eliminate duplicates Z: 14 19.430 1.844 0.527 0.829 1.000 0.769 CA 1.440 14 residues pruned to eliminate duplicates Z: 7 11.428 1.910 0.600 0.798 1.000 0.833 CA 1.177 6 residues pruned to eliminate duplicates Z: 10 25.775 1.968 1.229 0.882 1.000 0.778 CA 1.418 10 residues pruned to eliminate duplicates Z: 19 11.641 1.866 0.525 0.564 0.778 0.556 CB 1.165 Z: 18 27.049 1.968 0.638 0.906 1.000 0.765 CA 1.448 17 residues pruned to eliminate duplicates Z: 13 17.628 2.039 0.314 0.896 1.000 0.667 CA 1.360 13 residues pruned to eliminate duplicates Z: 14 17.690 1.941 0.525 0.902 0.923 0.769 CA 1.281 14 residues pruned to eliminate duplicates Z: 8 7.383 1.734 0.004 0.821 1.000 0.857 CA 1.214 8 residues pruned to eliminate duplicates Z: 13 14.320 1.950 0.426 0.886 1.000 0.750 CA 1.073 Z: 10 16.327 1.824 0.819 0.883 1.000 0.778 CB 1.186 9 residues pruned to eliminate duplicates Z: 13 15.676 1.954 0.177 0.845 1.000 0.750 CA 1.463 13 residues pruned to eliminate duplicates Z: 17 24.340 2.138 0.545 0.868 1.000 0.750 CA 1.347 17 residues pruned to eliminate duplicates Z: 15 26.549 2.087 0.863 0.846 1.000 0.357 CA 1.355 15 residues pruned to eliminate duplicates Z: 13 24.691 2.156 0.512 0.898 1.000 0.667 CA 1.564 13 residues pruned to eliminate duplicates Z: 15 24.054 2.082 0.692 0.864 1.000 0.714 CA 1.337 15 residues pruned to eliminate duplicates Z: 15 27.360 2.117 0.653 0.904 1.000 0.929 CA 1.488 15 residues pruned to eliminate duplicates Z: 15 22.899 2.020 0.534 0.923 1.000 0.929 CA 1.388 16 residues pruned to eliminate duplicates Z: 12 16.074 1.970 0.620 0.870 0.909 0.818 CA 1.220 11 residues pruned to eliminate duplicates Z: 13 28.910 2.113 0.860 0.910 1.000 0.583 CB 1.507 14 residues pruned to eliminate duplicates Z: 60 33.333 1.931 0.659 0.546 0.949 0.593 CB 1.365 29 residues pruned to eliminate duplicates Z: 14 14.343 1.786 0.320 0.815 1.000 0.769 CA 1.283 14 residues pruned to eliminate duplicates Z: 16 21.047 1.917 0.672 0.853 0.933 0.800 CA 1.343 16 residues pruned to eliminate duplicates Z: 15 15.850 1.954 0.411 0.886 1.000 0.857 CA 1.108 13 residues pruned to eliminate duplicates Z: 38 25.346 2.052 0.449 0.514 0.919 0.595 CB 1.504 18 residues pruned to eliminate duplicates Z: 13 19.696 1.957 0.525 0.857 1.000 0.833 CB 1.404 13 residues pruned to eliminate duplicates Z: 17 15.558 1.766 0.762 0.667 0.938 0.562 CA 1.142 17 residues pruned to eliminate duplicates Z: 23 11.707 1.921 0.612 0.521 0.773 0.273 CB 1.021 23 residues pruned to eliminate duplicates Z: 15 18.295 2.060 0.266 0.920 1.000 0.857 CA 1.321 15 residues pruned to eliminate duplicates Z: 9 5.670 1.876 0.348 0.339 0.750 0.500 CB 1.260 Z: 12 16.130 1.938 0.256 0.878 1.000 0.909 CA 1.450 12 residues pruned to eliminate duplicates Z: 14 12.961 1.818 0.808 0.837 0.615 0.308 CA 1.328 11 residues pruned to eliminate duplicates Z: 26 17.295 1.947 0.511 0.448 0.920 0.760 CA 1.349 7 residues pruned to eliminate duplicates Z: 12 11.265 1.731 0.219 0.894 1.000 0.818 CA 1.155 Z: 15 26.423 2.086 0.597 0.889 1.000 0.714 CA 1.526 15 residues pruned to eliminate duplicates Z: 17 19.726 2.084 0.514 0.868 1.000 0.875 CA 1.142 17 residues pruned to eliminate duplicates Z: 24 19.442 1.901 0.756 0.398 0.913 0.478 CB 1.482 Z: 17 21.672 1.903 0.697 0.889 0.938 0.750 CA 1.288 17 residues pruned to eliminate duplicates Z: 12 13.048 1.715 0.606 0.872 0.909 0.818 CB 1.145 12 residues pruned to eliminate duplicates Z: 14 23.744 2.071 0.614 0.894 0.923 0.615 CA 1.531 14 residues pruned to eliminate duplicates Z: 14 19.184 1.883 0.975 0.753 0.846 0.615 CB 1.350 12 residues pruned to eliminate duplicates Z: 45 21.478 1.927 0.544 0.468 0.886 0.614 CA 1.268 17 residues pruned to eliminate duplicates Z: 17 9.408 1.759 0.532 0.355 0.750 0.375 CB 1.361 17 residues pruned to eliminate duplicates Z: 26 20.336 1.992 0.419 0.631 0.960 0.600 CA 1.326 26 residues pruned to eliminate duplicates Z: 88 37.168 1.964 0.640 0.497 0.885 0.609 CA 1.401 86 residues pruned to eliminate duplicates Z: 15 16.774 1.954 0.473 0.874 1.000 0.714 CA 1.133 15 residues pruned to eliminate duplicates Z: 13 15.239 1.902 0.453 0.791 1.000 0.667 CA 1.233 13 residues pruned to eliminate duplicates Z: 61 30.915 2.009 0.513 0.506 0.933 0.600 CA 1.399 14 residues pruned to eliminate duplicates Z: 47 25.941 1.987 0.634 0.450 0.913 0.587 CA 1.358 47 residues pruned to eliminate duplicates Z: 10 15.024 1.941 0.598 0.839 0.778 0.778 CA 1.550 10 residues pruned to eliminate duplicates Z: 57 22.878 1.915 0.562 0.410 0.875 0.643 CB 1.283 45 residues pruned to eliminate duplicates Z: 17 25.044 2.123 0.665 0.851 1.000 0.562 CA 1.311 17 residues pruned to eliminate duplicates Z: 14 18.317 1.911 0.538 0.916 0.923 0.846 CA 1.323 14 residues pruned to eliminate duplicates Z: 10 19.602 1.909 1.273 0.858 1.000 0.667 CB 1.108 10 residues pruned to eliminate duplicates Z: 6 6.293 1.914 -0.074 0.786 1.000 1.000 CA 1.235 6 residues pruned to eliminate duplicates Z: 64 32.918 2.033 0.735 0.395 0.889 0.571 CB 1.478 58 residues pruned to eliminate duplicates Z: 33 22.906 2.027 0.624 0.596 0.844 0.500 CA 1.331 33 residues pruned to eliminate duplicates Z: 63 38.665 2.007 0.666 0.623 0.968 0.710 CB 1.352 58 residues pruned to eliminate duplicates Z: 16 18.165 1.844 0.746 0.795 0.933 0.733 CB 1.205 16 residues pruned to eliminate duplicates Z: 14 17.127 1.904 0.450 0.777 1.000 0.615 CA 1.347 14 residues pruned to eliminate duplicates Z: 23 15.848 2.049 0.278 0.570 0.864 0.591 CB 1.396 17 residues pruned to eliminate duplicates Z: 17 24.904 2.039 0.467 0.925 1.000 0.875 CA 1.461 17 residues pruned to eliminate duplicates Z: 15 21.967 2.179 0.407 0.864 1.000 0.714 CA 1.404 15 residues pruned to eliminate duplicates Z: 14 17.062 2.040 0.514 0.866 0.846 0.615 CA 1.326 14 residues pruned to eliminate duplicates Z: 93 36.698 1.956 0.552 0.556 0.870 0.685 CB 1.373 60 residues pruned to eliminate duplicates Z: 7 6.883 1.619 0.531 0.678 0.833 0.500 CA 1.155 Z: 9 12.743 1.872 0.599 0.839 1.000 0.625 CB 1.124 8 residues pruned to eliminate duplicates Z: 12 18.683 2.158 0.336 0.903 1.000 0.727 CB 1.393 12 residues pruned to eliminate duplicates Z: 15 26.279 2.106 0.826 0.802 1.000 0.714 CA 1.403 15 residues pruned to eliminate duplicates Z: 16 17.524 1.929 0.621 0.819 0.933 0.667 CA 1.176 16 residues pruned to eliminate duplicates Z: 14 14.710 1.858 0.517 0.798 0.923 0.692 CB 1.208 15 residues pruned to eliminate duplicates Z: 55 31.895 2.011 0.588 0.578 0.963 0.593 CA 1.309 59 residues pruned to eliminate duplicates Z: 14 19.538 2.006 0.750 0.851 0.923 0.385 CB 1.237 14 residues pruned to eliminate duplicates Z: 16 16.200 1.893 0.659 0.828 0.867 0.600 CB 1.157 16 residues pruned to eliminate duplicates Z: 17 17.797 1.769 0.868 0.762 0.812 0.375 CA 1.314 16 residues pruned to eliminate duplicates Z: 16 21.006 1.957 0.528 0.870 1.000 0.867 CB 1.324 16 residues pruned to eliminate duplicates Z: 10 11.455 1.949 0.660 0.853 0.889 0.778 CA 0.981 10 residues pruned to eliminate duplicates Z: 18 17.961 1.851 0.497 0.888 1.000 0.824 CA 1.133 18 residues pruned to eliminate duplicates Z: 7 11.214 1.972 0.735 0.665 1.000 0.667 CB 1.149 7 residues pruned to eliminate duplicates Z: 12 13.702 1.812 0.230 0.895 1.000 0.818 CA 1.329 Z: 13 24.617 2.101 0.690 0.933 0.917 0.500 CA 1.523 13 residues pruned to eliminate duplicates Z: 12 29.587 2.084 0.909 0.918 1.000 0.273 CA 1.582 12 residues pruned to eliminate duplicates Z: 26 22.123 1.990 0.775 0.548 0.920 0.640 CA 1.299 26 residues pruned to eliminate duplicates Z: 11 10.316 1.903 0.229 0.754 0.800 0.400 CB 1.390 Z: 14 15.817 1.786 0.518 0.807 1.000 0.692 CA 1.237 14 residues pruned to eliminate duplicates Z: 14 19.525 1.880 0.435 0.885 1.000 0.615 CB 1.450 14 residues pruned to eliminate duplicates Z: 16 16.166 1.795 0.628 0.804 0.867 0.600 CB 1.264 14 residues pruned to eliminate duplicates Z: 15 23.653 2.002 0.701 0.901 1.000 0.643 CA 1.325 15 residues pruned to eliminate duplicates Z: 13 14.513 1.914 0.156 0.877 1.000 1.000 CA 1.375 13 residues pruned to eliminate duplicates Z: 87 44.916 2.049 0.748 0.474 0.953 0.581 CA 1.456 87 residues pruned to eliminate duplicates Z: 18 24.096 1.968 0.696 0.912 0.882 0.588 CB 1.405 18 residues pruned to eliminate duplicates Z: 14 23.098 2.007 0.831 0.875 0.923 0.538 CA 1.374 14 residues pruned to eliminate duplicates Z: 50 28.807 2.052 0.628 0.454 0.918 0.490 CB 1.407 44 residues pruned to eliminate duplicates Z: 10 16.520 2.003 0.600 0.910 1.000 0.889 CA 1.219 10 residues pruned to eliminate duplicates Z: 28 14.162 1.932 0.482 0.486 0.852 0.519 CA 1.133 17 residues pruned to eliminate duplicates Z: 9 9.304 1.773 0.514 0.558 0.875 0.625 CB 1.324 Z: 52 38.097 2.047 0.754 0.557 0.961 0.451 CB 1.463 73 residues pruned to eliminate duplicates Z: 14 20.506 2.054 0.500 0.877 1.000 0.846 CA 1.340 14 residues pruned to eliminate duplicates Z: 15 31.417 2.218 0.866 0.901 1.000 0.857 CA 1.448 15 residues pruned to eliminate duplicates Z: 14 30.485 2.247 0.833 0.901 1.000 0.692 CA 1.465 14 residues pruned to eliminate duplicates Z: 14 30.890 2.160 0.756 0.911 1.000 0.769 CA 1.601 14 residues pruned to eliminate duplicates Z: 12 21.668 1.994 0.501 0.927 1.000 0.818 CA 1.529 12 residues pruned to eliminate duplicates Z: 9 8.853 1.919 0.353 0.819 0.875 0.625 CB 1.045 9 residues pruned to eliminate duplicates Z: 15 8.364 1.763 0.509 0.433 0.857 0.500 CB 1.051 8 residues pruned to eliminate duplicates Z: 53 40.661 2.104 0.709 0.599 0.942 0.673 CB 1.515 57 residues pruned to eliminate duplicates Z: 16 18.382 2.097 0.142 0.890 0.933 0.800 CA 1.528 16 residues pruned to eliminate duplicates Z: 17 28.369 2.089 0.678 0.904 1.000 0.750 CA 1.440 17 residues pruned to eliminate duplicates Z: 18 20.917 1.930 0.523 0.881 1.000 0.824 CA 1.250 18 residues pruned to eliminate duplicates Z: 10 12.697 1.800 0.521 0.839 1.000 0.556 CB 1.155 10 residues pruned to eliminate duplicates Z: 14 17.118 1.957 0.248 0.919 1.000 0.923 CA 1.369 14 residues pruned to eliminate duplicates Z: 7 8.578 1.889 0.186 0.823 0.833 0.667 CB 1.418 Z: 7 5.928 1.911 -0.051 0.840 0.833 0.833 CB 1.196 7 residues pruned to eliminate duplicates Z: 16 26.015 2.093 0.815 0.915 0.933 0.600 CA 1.338 16 residues pruned to eliminate duplicates Z: 16 30.545 2.171 0.814 0.901 1.000 0.733 CA 1.429 16 residues pruned to eliminate duplicates Z: 15 20.877 2.031 0.585 0.910 1.000 0.714 CA 1.228 15 residues pruned to eliminate duplicates Z: 13 18.454 1.963 0.572 0.857 0.917 0.667 CB 1.388 13 residues pruned to eliminate duplicates Z: 12 18.733 2.021 0.579 0.900 1.000 0.909 CB 1.265 12 residues pruned to eliminate duplicates Z: 72 43.080 2.032 0.792 0.521 0.930 0.465 CB 1.480 54 residues pruned to eliminate duplicates Z: 13 25.877 2.036 0.968 0.914 1.000 0.750 CA 1.319 17 residues pruned to eliminate duplicates Z: 14 16.557 1.869 0.310 0.871 0.923 0.923 CB 1.482 14 residues pruned to eliminate duplicates Z: 27 15.863 2.000 0.517 0.531 0.846 0.577 CB 1.175 29 residues pruned to eliminate duplicates Z: 13 22.893 2.103 0.752 0.899 1.000 0.417 CB 1.283 10 residues pruned to eliminate duplicates Z: 13 21.293 1.981 0.921 0.750 1.000 0.500 CA 1.293 13 residues pruned to eliminate duplicates Z: 16 23.664 1.993 0.480 0.893 1.000 0.533 CA 1.487 16 residues pruned to eliminate duplicates Z: 12 14.910 2.109 0.382 0.880 0.909 0.545 CB 1.229 12 residues pruned to eliminate duplicates Z: 14 16.201 1.838 0.560 0.874 0.923 0.692 CB 1.236 14 residues pruned to eliminate duplicates Z: 16 33.319 2.158 0.877 0.925 1.000 0.600 CA 1.492 16 residues pruned to eliminate duplicates Z: 10 6.501 1.994 0.628 0.400 0.778 0.556 CB 0.953 6 residues pruned to eliminate duplicates Z: 14 17.212 1.885 0.745 0.806 0.846 0.385 CA 1.313 14 residues pruned to eliminate duplicates Z: 11 17.963 1.970 0.515 0.901 1.000 0.900 CB 1.359 11 residues pruned to eliminate duplicates Z: 14 31.118 2.089 0.843 0.918 1.000 0.385 CA 1.580 14 residues pruned to eliminate duplicates Z: 14 18.289 1.811 0.791 0.851 0.923 0.538 CA 1.254 14 residues pruned to eliminate duplicates Z: 6 7.034 1.766 0.389 0.515 1.000 0.400 N 1.263 6 residues pruned to eliminate duplicates Z: 12 22.655 2.124 0.736 0.911 1.000 0.636 CB 1.313 12 residues pruned to eliminate duplicates Z: 12 16.739 1.970 0.480 0.904 0.909 0.818 CB 1.356 12 residues pruned to eliminate duplicates Z: 13 17.115 2.043 0.463 0.874 1.000 0.750 CB 1.204 13 residues pruned to eliminate duplicates Z: 17 26.586 1.980 0.636 0.910 1.000 0.750 CA 1.456 17 residues pruned to eliminate duplicates Z: 14 10.992 1.773 0.548 0.401 0.923 0.615 CB 1.336 9 residues pruned to eliminate duplicates Z: 31 32.743 2.111 0.642 0.648 1.000 0.567 CA 1.502 31 residues pruned to eliminate duplicates Z: 26 14.549 1.848 0.407 0.426 0.920 0.440 CB 1.314 14 residues pruned to eliminate duplicates Z: 13 20.434 1.957 0.678 0.849 1.000 0.667 CB 1.331 13 residues pruned to eliminate duplicates Z: 10 8.274 1.687 0.414 0.798 0.889 0.778 CA 1.002 10 residues pruned to eliminate duplicates Z: 8 11.438 1.928 0.841 0.821 1.000 0.857 CB 0.922 Z: 20 7.140 1.582 0.324 0.352 0.895 0.526 CB 1.026 20 residues pruned to eliminate duplicates Z: 14 15.788 2.031 0.689 0.666 0.923 0.538 CA 1.186 14 residues pruned to eliminate duplicates Z: 7 12.323 1.936 0.719 0.812 1.000 0.833 CA 1.152 7 residues pruned to eliminate duplicates Z: 70 34.760 2.030 0.608 0.511 0.913 0.551 CB 1.389 70 residues pruned to eliminate duplicates Z: 60 34.060 1.991 0.598 0.585 0.915 0.627 CB 1.404 60 residues pruned to eliminate duplicates Z: 9 3.308 1.508 0.870 0.187 0.750 0.375 CB 0.804 9 residues pruned to eliminate duplicates Z: 13 15.394 1.803 0.405 0.905 1.000 0.833 CA 1.248 12 residues pruned to eliminate duplicates Z: 10 10.222 1.915 0.532 0.808 0.889 0.889 CA 0.999 10 residues pruned to eliminate duplicates Z: 17 30.332 2.074 0.733 0.924 1.000 0.750 CA 1.481 17 residues pruned to eliminate duplicates Z: 14 16.539 2.017 0.669 0.376 1.000 0.846 CB 1.555 Z: 14 18.866 1.955 0.877 0.806 0.923 0.769 CA 1.183 14 residues pruned to eliminate duplicates Z: 7 10.160 1.896 0.414 0.830 0.833 0.500 CB 1.396 7 residues pruned to eliminate duplicates Z: 13 15.440 2.089 0.228 0.857 1.000 0.750 CA 1.281 13 residues pruned to eliminate duplicates Z: 8 8.534 1.795 0.377 0.792 0.857 0.429 CA 1.178 8 residues pruned to eliminate duplicates Z: 94 40.791 1.985 0.594 0.546 0.903 0.645 CA 1.414 94 residues pruned to eliminate duplicates Z: 15 13.082 1.559 0.418 0.875 0.929 0.929 CB 1.239 Z: 14 17.244 1.772 0.674 0.897 1.000 0.615 CB 1.155 14 residues pruned to eliminate duplicates Z: 6 8.594 1.902 0.331 0.738 1.000 0.800 CA 1.226 6 residues pruned to eliminate duplicates Z: 17 20.684 1.997 0.349 0.926 0.875 0.625 CA 1.539 17 residues pruned to eliminate duplicates Z: 15 24.867 2.106 0.628 0.864 1.000 0.571 CA 1.421 15 residues pruned to eliminate duplicates Z: 6 6.336 1.866 -0.007 0.871 1.000 1.000 CA 1.116 6 residues pruned to eliminate duplicates Z: 8 8.547 1.759 0.453 0.881 1.000 0.429 CB 0.915 Z: 6 11.295 1.732 0.789 0.720 1.000 0.600 CA 1.337 6 residues pruned to eliminate duplicates Z: 17 20.229 1.763 0.679 0.904 0.938 0.688 CA 1.298 16 residues pruned to eliminate duplicates Z: 15 21.556 1.936 0.855 0.925 0.929 0.714 CA 1.212 15 residues pruned to eliminate duplicates Z: 20 28.248 2.127 0.795 0.694 0.947 0.684 CA 1.500 20 residues pruned to eliminate duplicates Z: 6 4.507 1.723 0.416 0.771 0.800 0.800 CA 0.812 Z: 15 16.982 1.802 0.852 0.878 0.929 0.857 CB 1.063 15 residues pruned to eliminate duplicates Z: 50 31.897 2.015 0.659 0.533 0.959 0.612 CA 1.376 50 residues pruned to eliminate duplicates Z: 17 27.483 2.092 0.729 0.857 1.000 0.750 CA 1.400 17 residues pruned to eliminate duplicates Z: 31 24.561 2.042 0.686 0.452 0.933 0.700 CA 1.467 31 residues pruned to eliminate duplicates Z: 15 28.672 2.193 0.660 0.918 1.000 0.929 CB 1.485 15 residues pruned to eliminate duplicates Z: 7 9.774 1.678 0.997 0.743 1.000 0.667 CB 0.958 Z: 16 27.909 2.112 0.794 0.875 0.933 0.533 CA 1.482 16 residues pruned to eliminate duplicates Z: 46 19.907 1.908 0.639 0.410 0.800 0.600 CA 1.303 46 residues pruned to eliminate duplicates Z: 12 16.740 1.975 0.306 0.888 1.000 0.909 CB 1.410 12 residues pruned to eliminate duplicates Z: 13 14.861 1.945 0.216 0.849 0.917 0.833 CA 1.468 13 residues pruned to eliminate duplicates Z: 18 25.524 1.988 0.723 0.832 1.000 0.706 CA 1.357 18 residues pruned to eliminate duplicates Z: 13 16.126 1.871 0.174 0.900 1.000 1.000 CA 1.514 13 residues pruned to eliminate duplicates Z: 6 4.430 1.760 -0.077 0.473 1.000 0.600 C 1.253 Z: 9 4.057 1.621 0.255 0.261 0.875 0.375 CB 1.059 Z: 6 11.108 1.796 0.715 0.838 1.000 0.600 CA 1.206 6 residues pruned to eliminate duplicates Z: 14 5.934 1.785 0.464 0.202 0.846 0.538 CB 1.060 14 residues pruned to eliminate duplicates Z: 19 15.250 1.839 0.609 0.389 1.000 0.500 CA 1.367 19 residues pruned to eliminate duplicates Z: 14 15.707 1.717 0.515 0.862 1.000 0.769 CA 1.230 15 residues pruned to eliminate duplicates Z: 18 13.862 1.867 0.619 0.348 0.941 0.471 CB 1.393 18 residues pruned to eliminate duplicates Z: 10 18.114 1.917 1.176 0.847 1.000 0.667 CB 1.074 10 residues pruned to eliminate duplicates Z: 12 20.538 2.152 0.300 0.892 1.000 0.818 CA 1.589 12 residues pruned to eliminate duplicates Z: 12 20.669 2.079 0.860 0.847 1.000 0.455 CB 1.196 12 residues pruned to eliminate duplicates Z: 12 21.994 2.098 0.686 0.904 0.909 0.727 CB 1.470 12 residues pruned to eliminate duplicates Z: 34 19.384 1.805 0.721 0.585 0.879 0.545 CB 1.139 29 residues pruned to eliminate duplicates Z: 13 12.776 1.782 0.311 0.895 0.917 0.833 CA 1.235 13 residues pruned to eliminate duplicates 7 1.598 1.626 -0.026 0.421 0.500 0.500 CB 0.895 ? Z: 40 22.567 1.943 0.481 0.521 0.897 0.641 CB 1.370 40 residues pruned to eliminate duplicates Z: 12 24.770 2.060 0.972 0.880 0.909 0.273 CA 1.466 12 residues pruned to eliminate duplicates Z: 8 8.916 1.682 0.227 0.856 1.000 0.714 CA 1.205 8 residues pruned to eliminate duplicates Z: 54 36.616 2.053 0.667 0.585 0.981 0.604 CB 1.380 31 residues pruned to eliminate duplicates Z: 68 35.284 2.014 0.611 0.540 0.910 0.627 CA 1.404 68 residues pruned to eliminate duplicates Z: 11 18.886 1.887 0.543 0.931 1.000 0.800 CA 1.433 13 residues pruned to eliminate duplicates Z: 18 22.867 2.042 0.617 0.870 0.941 0.471 CA 1.303 18 residues pruned to eliminate duplicates Z: 8 9.223 1.797 0.232 0.836 1.000 0.429 CA 1.179 7 residues pruned to eliminate duplicates Z: 9 19.160 2.032 0.666 0.877 1.000 0.750 CB 1.453 9 residues pruned to eliminate duplicates Z: 14 10.768 1.880 0.413 0.431 0.923 0.615 CB 1.308 Z: 25 19.189 1.936 0.681 0.555 0.833 0.458 CB 1.370 25 residues pruned to eliminate duplicates Z: 7 3.860 1.690 0.258 0.565 0.833 0.500 CB 0.835 Z: 14 19.565 2.007 0.334 0.889 1.000 0.846 CA 1.459 14 residues pruned to eliminate duplicates Z: 16 20.144 1.907 0.829 0.768 0.933 0.600 CA 1.260 16 residues pruned to eliminate duplicates Z: 17 29.850 2.124 0.820 0.896 1.000 0.875 CA 1.383 17 residues pruned to eliminate duplicates Z: 17 14.590 1.989 0.343 0.481 0.938 0.688 CB 1.485 17 residues pruned to eliminate duplicates Z: 13 6.986 1.755 0.319 0.410 0.667 0.583 CA 1.436 13 residues pruned to eliminate duplicates Z: 8 9.498 1.899 0.368 0.843 1.000 0.857 CA 1.029 7 residues pruned to eliminate duplicates Z: 34 26.753 2.065 0.548 0.530 0.909 0.515 CB 1.556 34 residues pruned to eliminate duplicates Z: 7 9.617 1.850 0.142 0.860 1.000 0.833 CA 1.367 Z: 31 16.884 1.936 0.451 0.510 0.800 0.567 CB 1.358 31 residues pruned to eliminate duplicates Z: 16 24.547 2.106 0.404 0.934 1.000 0.800 CA 1.495 16 residues pruned to eliminate duplicates Z: 43 21.765 1.918 0.465 0.511 0.881 0.571 CB 1.342 43 residues pruned to eliminate duplicates Z: 27 22.475 1.985 0.644 0.546 0.885 0.654 CA 1.459 26 residues pruned to eliminate duplicates Z: 16 10.416 1.688 0.542 0.392 1.000 0.600 CB 1.159 15 residues pruned to eliminate duplicates Z: 13 22.523 1.851 1.108 0.847 0.917 0.583 CB 1.350 13 residues pruned to eliminate duplicates Z: 6 8.743 1.773 0.269 0.769 1.000 0.200 CA 1.369 6 residues pruned to eliminate duplicates Z: 25 15.946 1.908 0.474 0.632 0.833 0.500 CB 1.227 25 residues pruned to eliminate duplicates Z: 9 6.553 1.813 0.637 0.496 0.750 0.625 CB 1.045 9 residues pruned to eliminate duplicates Z: 62 28.790 1.962 0.554 0.471 0.918 0.590 CB 1.357 62 residues pruned to eliminate duplicates Z: 9 15.223 1.799 0.823 0.880 1.000 1.000 CA 1.189 8 residues pruned to eliminate duplicates Z: 15 33.661 2.083 1.141 0.876 1.000 0.500 CA 1.467 15 residues pruned to eliminate duplicates Z: 26 26.595 2.065 0.510 0.606 1.000 0.680 CA 1.543 26 residues pruned to eliminate duplicates Z: 10 9.605 1.910 0.627 0.860 0.778 0.778 CA 0.974 10 residues pruned to eliminate duplicates Z: 11 22.243 1.878 0.897 0.938 1.000 0.600 CB 1.372 11 residues pruned to eliminate duplicates Z: 44 28.365 2.048 0.660 0.486 0.907 0.558 CB 1.422 44 residues pruned to eliminate duplicates Z: 10 10.104 1.849 0.831 0.837 0.667 0.556 CB 1.116 10 residues pruned to eliminate duplicates Z: 8 6.543 1.426 0.358 0.720 1.000 0.714 CA 1.046 Z: 28 13.592 1.841 0.457 0.393 0.889 0.444 CB 1.227 21 residues pruned to eliminate duplicates Z: 55 23.554 1.877 0.619 0.466 0.852 0.519 CB 1.282 55 residues pruned to eliminate duplicates Z: 27 7.887 1.751 0.261 0.403 0.846 0.538 CA 0.917 27 residues pruned to eliminate duplicates Z: 15 16.873 1.855 0.816 0.760 0.857 0.643 CA 1.239 15 residues pruned to eliminate duplicates Z: 6 2.677 1.473 0.240 0.281 1.000 0.400 CA 0.840 Z: 11 17.030 1.979 0.869 0.921 0.900 0.700 CA 1.138 11 residues pruned to eliminate duplicates Z: 10 19.501 2.188 0.660 0.898 0.889 0.667 CA 1.440 10 residues pruned to eliminate duplicates Z: 13 28.512 2.137 0.792 0.896 1.000 0.667 CA 1.541 13 residues pruned to eliminate duplicates Z: 58 28.481 1.985 0.677 0.518 0.842 0.474 CA 1.323 58 residues pruned to eliminate duplicates Z: 13 21.464 1.970 0.724 0.859 0.917 0.750 CB 1.465 13 residues pruned to eliminate duplicates Z: 96 37.014 1.924 0.532 0.548 0.905 0.621 CB 1.358 96 residues pruned to eliminate duplicates Z: 13 19.713 1.977 0.833 0.907 0.917 0.750 CB 1.218 13 residues pruned to eliminate duplicates Z: 14 14.911 2.023 0.189 0.886 1.000 0.769 CA 1.240 14 residues pruned to eliminate duplicates Z: 13 15.139 1.957 0.646 0.763 0.833 0.500 CA 1.289 13 residues pruned to eliminate duplicates Z: 6 11.176 1.887 0.477 0.842 1.000 1.000 CA 1.335 Z: 9 8.761 1.731 0.709 0.884 0.875 0.750 CB 0.865 9 residues pruned to eliminate duplicates Z: 8 7.762 1.864 0.631 0.431 0.714 0.429 CB 1.452 8 residues pruned to eliminate duplicates Z: 23 17.620 1.821 0.613 0.604 0.818 0.636 CB 1.416 23 residues pruned to eliminate duplicates Z: 14 14.844 1.722 0.639 0.884 0.923 0.692 CB 1.141 14 residues pruned to eliminate duplicates 6 1.723 1.487 0.346 0.450 0.800 0.400 CB 0.507 ? Z: 7 7.088 1.856 0.064 0.866 1.000 0.500 CB 1.072 7 residues pruned to eliminate duplicates Z: 76 39.531 2.022 0.644 0.580 0.907 0.640 CB 1.402 76 residues pruned to eliminate duplicates Z: 16 16.594 1.949 0.467 0.829 0.867 0.667 CA 1.301 16 residues pruned to eliminate duplicates Z: 7 5.661 1.578 0.389 0.771 1.000 0.333 CA 0.830 6 residues pruned to eliminate duplicates Z: 10 14.742 1.820 0.712 0.805 0.889 0.444 CA 1.360 10 residues pruned to eliminate duplicates Z: 50 33.156 1.964 0.670 0.536 0.939 0.592 CB 1.485 50 residues pruned to eliminate duplicates Z: 6 5.691 1.753 0.203 0.714 1.000 0.800 CA 0.994 6 residues pruned to eliminate duplicates Z: 18 14.366 1.773 0.551 0.453 1.000 0.588 CB 1.329 15 residues pruned to eliminate duplicates Z: 25 18.428 1.876 0.778 0.356 0.917 0.417 CA 1.436 25 residues pruned to eliminate duplicates Z: 13 15.642 1.733 0.583 0.866 1.000 0.833 CB 1.204 13 residues pruned to eliminate duplicates Z: 17 14.061 1.878 0.627 0.784 0.812 0.625 CB 1.102 17 residues pruned to eliminate duplicates Z: 14 21.533 1.942 0.636 0.915 1.000 0.846 CB 1.329 16 residues pruned to eliminate duplicates Z: 10 21.802 2.092 0.990 0.909 1.000 0.556 CA 1.239 10 residues pruned to eliminate duplicates Z: 12 12.444 1.742 0.245 0.923 1.000 0.818 CB 1.216 12 residues pruned to eliminate duplicates Z: 21 12.115 1.854 0.501 0.309 0.900 0.600 CA 1.336 9 residues pruned to eliminate duplicates Z: 6 6.039 1.865 0.097 0.798 0.800 0.800 CA 1.271 6 residues pruned to eliminate duplicates Z: 55 36.129 2.008 0.655 0.581 0.944 0.741 CB 1.449 55 residues pruned to eliminate duplicates Z: 14 16.854 1.861 0.555 0.821 0.846 0.615 CA 1.446 14 residues pruned to eliminate duplicates Z: 9 9.655 1.779 0.593 0.779 0.875 0.750 CB 1.076 8 residues pruned to eliminate duplicates Z: 16 26.426 2.081 0.689 0.911 1.000 0.733 CA 1.376 16 residues pruned to eliminate duplicates Z: 16 34.461 2.069 0.871 0.908 1.000 0.467 CA 1.633 16 residues pruned to eliminate duplicates Z: 16 25.931 2.178 0.506 0.849 1.000 0.667 CA 1.513 16 residues pruned to eliminate duplicates Z: 14 15.241 1.695 0.780 0.859 1.000 0.615 CB 1.030 14 residues pruned to eliminate duplicates Z: 44 33.395 2.054 0.745 0.586 0.953 0.605 CA 1.372 44 residues pruned to eliminate duplicates Z: 6 7.018 1.677 0.268 0.700 1.000 0.800 CA 1.230 Z: 14 22.964 1.952 0.826 0.804 1.000 0.692 CA 1.371 14 residues pruned to eliminate duplicates Z: 17 17.390 1.959 0.358 0.876 1.000 0.562 CA 1.187 17 residues pruned to eliminate duplicates Z: 21 27.705 2.084 0.879 0.701 0.900 0.650 CB 1.464 21 residues pruned to eliminate duplicates Z: 39 24.342 2.012 0.501 0.464 0.921 0.526 CB 1.472 35 residues pruned to eliminate duplicates Z: 46 29.129 2.001 0.718 0.490 0.867 0.556 CA 1.473 47 residues pruned to eliminate duplicates Z: 7 5.587 1.832 0.129 0.423 0.833 0.500 CB 1.434 8 residues pruned to eliminate duplicates Z: 7 3.274 1.716 -0.077 0.424 0.833 0.667 CB 1.096 7 residues pruned to eliminate duplicates Z: 24 25.284 2.047 0.714 0.602 0.870 0.783 CA 1.568 24 residues pruned to eliminate duplicates Z: 66 38.805 2.029 0.603 0.613 0.954 0.723 CB 1.393 66 residues pruned to eliminate duplicates Z: 17 25.150 2.048 0.569 0.892 1.000 0.750 CA 1.406 17 residues pruned to eliminate duplicates Z: 14 21.292 2.182 0.436 0.888 0.923 0.769 CA 1.470 14 residues pruned to eliminate duplicates Z: 15 15.943 1.801 0.686 0.755 1.000 0.643 CA 1.118 11 residues pruned to eliminate duplicates Z: 12 11.744 1.724 0.453 0.850 0.818 0.727 CB 1.280 12 residues pruned to eliminate duplicates Z: 27 16.462 1.930 0.736 0.550 0.846 0.731 CB 1.085 27 residues pruned to eliminate duplicates Z: 24 15.561 1.944 0.267 0.547 0.913 0.609 CA 1.377 24 residues pruned to eliminate duplicates Z: 11 5.229 1.503 0.340 0.362 0.800 0.500 CA 1.192 5 residues pruned to eliminate duplicates Z: 32 20.525 2.005 0.483 0.448 0.935 0.613 CA 1.398 32 residues pruned to eliminate duplicates Z: 27 18.594 1.952 0.370 0.545 0.923 0.692 CA 1.413 30 residues pruned to eliminate duplicates Z: 15 29.046 2.044 1.024 0.897 0.929 0.357 CA 1.446 15 residues pruned to eliminate duplicates Z: 7 6.471 1.748 0.376 0.597 1.000 0.333 N 1.001 7 residues pruned to eliminate duplicates Z: 9 9.241 1.763 0.781 0.805 0.875 0.375 CB 0.911 9 residues pruned to eliminate duplicates Z: 59 30.319 1.960 0.707 0.541 0.914 0.603 CB 1.251 59 residues pruned to eliminate duplicates Z: 12 20.389 1.904 0.747 0.919 1.000 0.818 CA 1.302 10 residues pruned to eliminate duplicates Z: 12 26.222 2.142 0.934 0.899 0.909 0.545 CB 1.501 12 residues pruned to eliminate duplicates Z: 14 22.207 2.033 0.520 0.919 1.000 0.615 CB 1.405 13 residues pruned to eliminate duplicates Z: 12 16.998 2.054 0.745 0.819 0.818 0.273 CA 1.326 12 residues pruned to eliminate duplicates Z: 48 29.315 1.998 0.643 0.604 0.872 0.596 CB 1.353 49 residues pruned to eliminate duplicates Z: 11 18.051 2.001 0.625 0.926 1.000 0.600 CA 1.231 11 residues pruned to eliminate duplicates Z: 14 11.180 1.671 0.318 0.869 1.000 0.923 CA 1.028 14 residues pruned to eliminate duplicates Z: 14 21.164 1.827 0.667 0.837 1.000 0.769 CA 1.442 14 residues pruned to eliminate duplicates Z: 12 19.771 1.874 0.591 0.914 1.000 0.455 CA 1.414 12 residues pruned to eliminate duplicates Z: 9 19.555 2.150 1.076 0.882 1.000 0.875 CA 1.121 9 residues pruned to eliminate duplicates Z: 7 4.929 1.597 0.422 0.523 0.833 0.500 CA 1.040 7 residues pruned to eliminate duplicates Z: 12 11.720 1.729 0.410 0.878 0.909 0.818 CB 1.157 12 residues pruned to eliminate duplicates Z: 15 12.093 1.767 0.357 0.786 1.000 0.786 CB 1.048 Z: 16 27.443 1.948 0.926 0.911 1.000 0.800 CA 1.339 16 residues pruned to eliminate duplicates Z: 36 23.251 1.980 0.589 0.471 0.943 0.743 CA 1.365 36 residues pruned to eliminate duplicates Z: 51 34.740 2.040 0.599 0.619 0.940 0.780 CB 1.431 51 residues pruned to eliminate duplicates Z: 28 19.471 1.795 0.583 0.591 0.926 0.667 CA 1.305 13 residues pruned to eliminate duplicates Z: 16 18.110 2.036 0.198 0.940 1.000 0.933 CA 1.331 16 residues pruned to eliminate duplicates Z: 24 15.662 1.803 0.528 0.526 0.913 0.522 CB 1.266 21 residues pruned to eliminate duplicates Z: 59 38.411 2.078 0.648 0.545 0.966 0.569 CA 1.459 59 residues pruned to eliminate duplicates Z: 51 21.918 1.881 0.636 0.454 0.880 0.520 CB 1.200 51 residues pruned to eliminate duplicates Z: 12 17.206 1.988 0.570 0.908 0.909 0.727 CA 1.299 12 residues pruned to eliminate duplicates Z: 12 7.047 1.797 0.320 0.378 0.727 0.364 CA 1.402 12 residues pruned to eliminate duplicates Z: 16 26.969 2.134 0.766 0.842 0.933 0.400 CA 1.475 16 residues pruned to eliminate duplicates Z: 8 7.049 1.677 0.673 0.788 0.857 0.571 CB 0.860 8 residues pruned to eliminate duplicates Z: 6 6.621 1.901 0.004 0.877 1.000 1.000 CA 1.126 6 residues pruned to eliminate duplicates Z: 14 27.749 2.071 0.784 0.923 0.923 0.538 CA 1.586 14 residues pruned to eliminate duplicates Z: 70 35.941 1.939 0.652 0.595 0.928 0.551 CB 1.330 70 residues pruned to eliminate duplicates Z: 28 13.100 1.710 0.423 0.590 0.815 0.444 CB 1.166 21 residues pruned to eliminate duplicates Z: 66 42.915 2.021 0.616 0.629 0.985 0.692 CA 1.466 67 residues pruned to eliminate duplicates Z: 22 14.030 1.969 0.423 0.552 0.905 0.667 CA 1.148 22 residues pruned to eliminate duplicates Z: 9 12.317 2.029 0.609 0.880 0.875 0.375 CB 1.104 9 residues pruned to eliminate duplicates Z: 14 21.396 1.940 0.839 0.808 1.000 0.692 CA 1.271 14 residues pruned to eliminate duplicates Z: 13 14.708 1.780 0.396 0.924 1.000 0.750 CB 1.201 13 residues pruned to eliminate duplicates Z: 15 27.319 2.254 0.564 0.905 1.000 0.929 CA 1.474 15 residues pruned to eliminate duplicates Z: 29 21.587 1.958 0.600 0.485 0.929 0.679 CA 1.424 29 residues pruned to eliminate duplicates Z: 8 10.148 1.802 0.268 0.871 1.000 0.857 CA 1.224 7 residues pruned to eliminate duplicates Z: 13 11.327 1.621 0.399 0.928 1.000 1.000 CA 1.009 12 residues pruned to eliminate duplicates Z: 26 15.714 1.981 0.420 0.529 0.840 0.560 CA 1.292 26 residues pruned to eliminate duplicates Z: 7 2.377 1.650 0.130 0.376 0.500 0.333 N 1.188 Z: 6 7.939 1.902 0.212 0.857 1.000 0.600 CA 1.135 6 residues pruned to eliminate duplicates Z: 9 10.025 1.879 0.624 0.664 0.875 0.750 CA 1.140 9 residues pruned to eliminate duplicates Z: 41 24.243 1.986 0.648 0.484 0.850 0.650 CB 1.401 41 residues pruned to eliminate duplicates Z: 16 18.385 1.972 0.365 0.883 1.000 0.733 CA 1.275 16 residues pruned to eliminate duplicates Z: 13 14.210 1.733 0.520 0.880 0.917 0.750 CB 1.231 13 residues pruned to eliminate duplicates Z: 12 17.196 2.016 0.424 0.904 0.909 0.636 CB 1.415 12 residues pruned to eliminate duplicates Z: 39 22.740 2.018 0.438 0.505 0.895 0.500 CA 1.413 39 residues pruned to eliminate duplicates Z: 52 25.203 1.929 0.501 0.536 0.882 0.647 CA 1.334 52 residues pruned to eliminate duplicates Z: 25 16.598 1.996 0.546 0.466 0.875 0.500 CB 1.300 25 residues pruned to eliminate duplicates Z: 11 9.291 1.834 0.261 0.715 0.800 0.400 CB 1.307 17 residues pruned to eliminate duplicates Z: 14 17.491 2.011 0.718 0.808 0.846 0.538 CB 1.269 14 residues pruned to eliminate duplicates Z: 12 20.783 2.094 0.604 0.785 0.909 0.727 CA 1.597 12 residues pruned to eliminate duplicates Z: 13 19.009 1.837 0.648 0.899 1.000 0.833 CA 1.296 13 residues pruned to eliminate duplicates Z: 42 32.810 2.035 0.686 0.535 0.976 0.561 CA 1.479 42 residues pruned to eliminate duplicates Z: 13 7.818 1.520 0.649 0.817 0.917 0.583 CB 0.746 13 residues pruned to eliminate duplicates Z: 8 8.974 1.832 0.461 0.769 1.000 0.857 CB 0.998 8 residues pruned to eliminate duplicates Z: 14 16.039 1.881 0.665 0.561 1.000 0.846 CA 1.338 14 residues pruned to eliminate duplicates Z: 8 7.519 1.753 0.967 0.537 0.857 0.714 CA 0.927 Z: 7 5.592 1.678 0.479 0.611 0.833 0.833 CB 0.994 Z: 8 14.333 2.022 0.809 0.608 1.000 0.286 CB 1.336 8 residues pruned to eliminate duplicates Z: 8 9.308 1.999 0.580 0.372 0.857 0.571 CB 1.490 8 residues pruned to eliminate duplicates Z: 13 17.774 1.941 0.519 0.855 0.917 0.583 CB 1.401 13 residues pruned to eliminate duplicates Z: 12 15.001 1.716 0.584 0.900 1.000 0.727 CB 1.189 13 residues pruned to eliminate duplicates Z: 14 16.845 1.929 0.597 0.910 1.000 0.769 CA 1.076 14 residues pruned to eliminate duplicates Z: 6 3.623 1.765 0.024 0.440 1.000 0.400 CB 0.953 Z: 84 37.987 2.013 0.663 0.456 0.904 0.554 CA 1.442 84 residues pruned to eliminate duplicates Z: 8 7.940 1.868 0.820 0.581 0.714 0.571 CA 1.143 8 residues pruned to eliminate duplicates Z: 6 9.061 1.674 0.381 0.833 1.000 0.600 CA 1.315 6 residues pruned to eliminate duplicates Z: 13 13.716 1.808 0.321 0.884 0.917 0.583 CA 1.306 13 residues pruned to eliminate duplicates Z: 20 13.591 1.847 0.423 0.539 0.842 0.632 CA 1.356 20 residues pruned to eliminate duplicates Z: 9 11.222 1.874 0.622 0.441 0.875 0.750 CA 1.585 9 residues pruned to eliminate duplicates Z: 26 12.849 1.710 0.629 0.390 0.800 0.440 CA 1.295 26 residues pruned to eliminate duplicates Z: 9 7.031 1.611 0.356 0.769 1.000 0.375 CB 0.897 8 residues pruned to eliminate duplicates Z: 19 16.876 1.949 0.621 0.585 0.944 0.611 CA 1.229 19 residues pruned to eliminate duplicates Z: 16 31.087 2.180 0.956 0.906 0.933 0.533 CA 1.434 16 residues pruned to eliminate duplicates Z: 6 9.524 1.765 0.434 0.837 1.000 0.600 CA 1.259 6 residues pruned to eliminate duplicates Z: 58 35.821 1.998 0.746 0.547 0.965 0.667 CA 1.346 65 residues pruned to eliminate duplicates Z: 15 12.049 1.954 0.438 0.304 1.000 0.714 CB 1.425 15 residues pruned to eliminate duplicates Z: 9 12.527 2.147 0.230 0.898 0.875 0.875 CA 1.371 9 residues pruned to eliminate duplicates Z: 19 5.219 1.504 0.306 0.300 0.778 0.333 CA 1.007 15 residues pruned to eliminate duplicates Z: 6 6.657 1.691 0.758 0.758 1.000 1.000 CA 0.796 6 residues pruned to eliminate duplicates Z: 53 28.302 1.984 0.540 0.565 0.904 0.577 CB 1.335 53 residues pruned to eliminate duplicates Z: 6 12.051 1.993 0.337 0.792 1.000 0.400 CA 1.566 6 residues pruned to eliminate duplicates Z: 39 21.607 1.952 0.431 0.527 0.947 0.632 CA 1.289 39 residues pruned to eliminate duplicates Z: 26 18.374 1.818 0.621 0.563 0.920 0.800 CA 1.275 26 residues pruned to eliminate duplicates Z: 8 6.777 1.706 0.403 0.764 0.714 0.571 CA 1.186 8 residues pruned to eliminate duplicates Z: 9 12.592 1.921 0.896 0.903 1.000 0.625 CB 0.872 9 residues pruned to eliminate duplicates Z: 13 11.113 1.946 0.138 0.829 1.000 0.750 CA 1.090 13 residues pruned to eliminate duplicates Z: 12 19.574 1.841 0.785 0.888 1.000 0.818 CB 1.294 12 residues pruned to eliminate duplicates Z: 14 18.357 1.835 0.766 0.831 0.923 0.615 CA 1.278 14 residues pruned to eliminate duplicates Z: 15 15.760 1.981 0.617 0.355 1.000 0.857 CB 1.537 15 residues pruned to eliminate duplicates Z: 15 28.158 2.001 0.928 0.884 1.000 0.714 CA 1.409 14 residues pruned to eliminate duplicates Z: 7 4.514 1.480 0.325 0.804 1.000 0.667 CA 0.721 7 residues pruned to eliminate duplicates Z: 14 24.939 1.985 0.779 0.837 1.000 0.462 CA 1.465 14 residues pruned to eliminate duplicates Z: 7 3.748 1.607 0.207 0.405 0.833 0.500 CB 1.047 Z: 6 3.492 1.684 -0.252 0.760 1.000 0.800 CB 0.984 Z: 15 16.722 1.767 0.861 0.801 0.929 0.643 CA 1.125 23 residues pruned to eliminate duplicates Z: 14 16.311 1.817 0.954 0.850 0.846 0.615 CB 1.115 14 residues pruned to eliminate duplicates Z: 14 13.092 1.654 0.745 0.878 0.846 0.692 CB 1.079 14 residues pruned to eliminate duplicates Z: 30 12.435 1.850 0.387 0.284 0.897 0.552 CB 1.281 30 residues pruned to eliminate duplicates Z: 17 24.332 2.054 0.673 0.869 1.000 0.750 CA 1.294 17 residues pruned to eliminate duplicates Z: 14 13.739 1.866 0.554 0.802 0.846 0.615 CB 1.193 14 residues pruned to eliminate duplicates Z: 36 16.583 1.772 0.469 0.497 0.914 0.457 CB 1.181 24 residues pruned to eliminate duplicates Z: 6 2.884 1.629 0.128 0.449 0.800 0.400 N 0.924 7 residues pruned to eliminate duplicates Z: 10 13.429 1.966 0.335 0.893 1.000 0.778 CA 1.224 10 residues pruned to eliminate duplicates Z: 14 19.007 1.771 0.616 0.838 0.923 0.462 C 1.491 14 residues pruned to eliminate duplicates Z: 16 13.545 1.637 0.543 0.783 0.933 0.467 CB 1.156 16 residues pruned to eliminate duplicates Z: 24 10.580 1.789 0.494 0.357 0.783 0.435 CB 1.231 33 residues pruned to eliminate duplicates Z: 6 3.536 1.688 -0.088 0.328 1.000 0.600 CA 1.241 6 residues pruned to eliminate duplicates Z: 10 5.919 1.827 0.124 0.489 0.778 0.444 CB 1.249 10 residues pruned to eliminate duplicates Z: 18 17.444 1.936 0.426 0.752 0.941 0.824 CA 1.301 18 residues pruned to eliminate duplicates Z: 12 19.697 1.844 0.643 0.900 1.000 0.636 CB 1.400 12 residues pruned to eliminate duplicates Z: 18 12.576 1.958 0.619 0.325 0.824 0.588 CB 1.416 18 residues pruned to eliminate duplicates Z: 8 7.096 1.790 0.393 0.737 0.714 0.571 CA 1.217 8 residues pruned to eliminate duplicates Z: 6 8.076 1.721 0.243 0.794 1.000 0.800 CA 1.304 6 residues pruned to eliminate duplicates Z: 16 22.115 1.952 0.612 0.927 0.933 0.600 CA 1.363 16 residues pruned to eliminate duplicates Z: 36 21.628 1.916 0.601 0.463 0.914 0.657 CA 1.354 36 residues pruned to eliminate duplicates Z: 61 29.468 1.960 0.573 0.551 0.900 0.667 CB 1.305 61 residues pruned to eliminate duplicates Z: 31 23.649 1.994 0.632 0.493 0.933 0.700 CB 1.431 31 residues pruned to eliminate duplicates Z: 11 18.493 1.881 0.585 0.921 1.000 0.700 CB 1.380 11 residues pruned to eliminate duplicates Z: 42 31.509 2.006 0.630 0.649 0.927 0.707 CB 1.414 42 residues pruned to eliminate duplicates Z: 7 6.924 1.782 0.175 0.712 0.833 0.667 CB 1.337 7 residues pruned to eliminate duplicates Z: 65 23.728 1.900 0.486 0.452 0.875 0.516 CB 1.261 65 residues pruned to eliminate duplicates Z: 17 17.775 1.981 0.436 0.841 0.938 0.812 CA 1.242 17 residues pruned to eliminate duplicates Z: 16 18.395 1.884 0.486 0.868 1.000 0.667 CA 1.241 16 residues pruned to eliminate duplicates Z: 9 2.867 1.362 0.883 0.334 0.875 0.375 N 0.542 Z: 9 3.983 1.529 0.407 0.300 0.750 0.500 CA 1.091 Z: 16 7.603 1.607 0.565 0.349 0.867 0.467 CB 1.062 Z: 17 22.549 2.032 0.841 0.837 1.000 0.688 CA 1.127 17 residues pruned to eliminate duplicates Z: 7 7.041 1.692 0.192 0.698 0.833 0.667 O 1.428 7 residues pruned to eliminate duplicates Z: 11 18.515 1.839 0.944 0.920 1.000 0.800 CA 1.154 11 residues pruned to eliminate duplicates Z: 14 16.201 1.804 0.775 0.738 0.923 0.692 CA 1.227 14 residues pruned to eliminate duplicates Z: 48 26.419 1.957 0.580 0.512 0.915 0.574 CA 1.347 51 residues pruned to eliminate duplicates Z: 9 4.526 1.428 0.235 0.552 0.875 0.750 CB 0.986 Z: 14 19.579 1.998 0.611 0.911 1.000 0.923 CA 1.196 14 residues pruned to eliminate duplicates Z: 14 24.886 2.085 0.612 0.937 0.923 0.615 CA 1.548 14 residues pruned to eliminate duplicates Z: 13 14.753 1.711 0.393 0.897 1.000 0.833 CB 1.279 13 residues pruned to eliminate duplicates Z: 16 29.109 2.095 0.890 0.882 1.000 0.400 CA 1.373 16 residues pruned to eliminate duplicates Z: 15 21.320 1.953 0.641 0.908 1.000 0.786 CA 1.263 15 residues pruned to eliminate duplicates Z: 11 22.686 2.142 0.821 0.891 0.900 0.600 CA 1.468 11 residues pruned to eliminate duplicates Z: 39 28.406 2.030 0.778 0.489 0.947 0.658 CA 1.362 39 residues pruned to eliminate duplicates Z: 22 14.210 1.799 0.521 0.494 0.905 0.762 CA 1.259 9 residues pruned to eliminate duplicates Z: 6 9.471 1.844 0.475 0.667 1.000 0.600 CA 1.335 6 residues pruned to eliminate duplicates Z: 12 14.923 1.836 0.285 0.900 1.000 0.727 CB 1.362 12 residues pruned to eliminate duplicates Z: 8 7.026 1.824 0.686 0.454 0.714 0.429 CB 1.267 8 residues pruned to eliminate duplicates Z: 7 7.703 1.767 0.362 0.760 1.000 1.000 CB 1.037 Z: 10 12.782 1.717 0.874 0.879 1.000 0.889 CA 0.961 10 residues pruned to eliminate duplicates Z: 32 23.726 1.964 0.756 0.559 0.871 0.452 CB 1.339 32 residues pruned to eliminate duplicates Z: 8 5.659 1.535 0.878 0.530 0.714 0.571 CA 1.008 Z: 8 13.796 1.982 0.684 0.729 0.857 0.571 CB 1.483 8 residues pruned to eliminate duplicates Z: 15 19.684 1.917 0.777 0.850 0.929 0.500 CA 1.232 15 residues pruned to eliminate duplicates Z: 13 5.895 1.708 0.474 0.401 0.667 0.417 CB 1.126 13 residues pruned to eliminate duplicates Z: 13 11.490 1.706 0.657 0.862 0.917 0.583 CB 0.940 13 residues pruned to eliminate duplicates Z: 69 42.059 2.019 0.647 0.645 0.941 0.721 CB 1.423 68 residues pruned to eliminate duplicates Z: 12 21.077 1.963 0.687 0.914 1.000 0.636 CB 1.356 12 residues pruned to eliminate duplicates Z: 29 18.473 1.959 0.589 0.535 0.893 0.607 CA 1.214 30 residues pruned to eliminate duplicates Z: 7 5.783 1.825 0.383 0.711 0.500 0.333 O 1.545 Z: 16 16.335 1.828 0.779 0.788 0.933 0.733 CA 1.079 16 residues pruned to eliminate duplicates Z: 10 7.252 1.545 0.205 0.834 1.000 0.667 CB 0.974 9 residues pruned to eliminate duplicates Z: 7 3.886 1.652 0.616 0.477 0.667 0.333 CB 0.913 7 residues pruned to eliminate duplicates Z: 25 19.354 1.939 0.688 0.559 0.875 0.667 CB 1.303 25 residues pruned to eliminate duplicates Z: 9 9.084 1.664 0.504 0.798 1.000 0.750 CA 0.989 8 residues pruned to eliminate duplicates Z: 14 18.472 1.987 0.588 0.883 1.000 0.615 CA 1.174 14 residues pruned to eliminate duplicates Z: 7 16.435 2.017 0.994 0.674 1.000 0.667 CB 1.421 7 residues pruned to eliminate duplicates Z: 11 4.619 1.526 0.390 0.274 0.900 0.500 CA 0.989 11 residues pruned to eliminate duplicates Z: 10 8.030 1.690 0.346 0.616 0.889 0.667 CB 1.186 10 residues pruned to eliminate duplicates Z: 15 12.899 1.865 0.428 0.897 1.000 0.714 CA 0.926 15 residues pruned to eliminate duplicates Z: 10 11.231 2.019 0.472 0.877 1.000 1.000 CA 0.915 10 residues pruned to eliminate duplicates Z: 15 19.642 1.918 0.868 0.921 0.929 0.643 CB 1.110 15 residues pruned to eliminate duplicates Z: 7 7.696 1.790 0.617 0.577 1.000 0.500 CB 1.008 7 residues pruned to eliminate duplicates Z: 6 5.029 1.700 0.333 0.640 0.800 0.600 CA 1.088 6 residues pruned to eliminate duplicates Z: 14 15.425 1.649 0.538 0.869 1.000 0.923 CA 1.232 14 residues pruned to eliminate duplicates Z: 7 3.923 1.499 0.143 0.489 0.833 0.667 CB 1.134 Z: 15 25.484 2.067 0.564 0.850 1.000 0.500 CA 1.561 15 residues pruned to eliminate duplicates Z: 21 20.611 2.072 0.639 0.600 0.900 0.700 CA 1.371 21 residues pruned to eliminate duplicates Z: 31 23.816 1.936 0.710 0.522 0.900 0.367 CA 1.429 31 residues pruned to eliminate duplicates Z: 13 10.281 1.637 0.265 0.884 1.000 0.833 CB 1.035 13 residues pruned to eliminate duplicates Z: 6 2.838 1.281 0.482 0.749 1.000 1.000 C 0.535 Z: 9 8.462 1.805 0.308 0.858 0.875 0.625 CB 1.066 9 residues pruned to eliminate duplicates Z: 32 19.362 1.864 0.914 0.370 0.871 0.613 CB 1.287 32 residues pruned to eliminate duplicates Z: 10 14.837 1.773 0.759 0.884 1.000 0.778 CA 1.146 10 residues pruned to eliminate duplicates Z: 7 6.245 1.790 -0.118 0.756 1.000 0.833 CA 1.285 7 residues pruned to eliminate duplicates Z: 33 25.775 1.994 0.745 0.611 0.906 0.656 CA 1.299 33 residues pruned to eliminate duplicates Z: 52 32.330 1.957 0.605 0.567 0.941 0.490 CA 1.435 52 residues pruned to eliminate duplicates Z: 10 8.684 1.742 0.701 0.866 1.000 0.889 CB 0.715 10 residues pruned to eliminate duplicates Z: 15 37.041 2.117 1.096 0.937 1.000 0.429 CA 1.552 15 residues pruned to eliminate duplicates Z: 11 12.136 1.918 0.295 0.903 1.000 1.000 CA 1.101 11 residues pruned to eliminate duplicates Z: 9 4.638 1.732 0.157 0.371 0.750 0.625 CB 1.253 9 residues pruned to eliminate duplicates Z: 15 28.416 1.951 1.104 0.894 0.929 0.357 CA 1.429 15 residues pruned to eliminate duplicates Z: 16 27.754 1.954 0.962 0.931 1.000 0.667 CA 1.306 16 residues pruned to eliminate duplicates Z: 6 7.665 1.887 0.537 0.766 0.800 0.600 CB 1.167 9 residues pruned to eliminate duplicates Z: 55 34.476 2.037 0.661 0.581 0.926 0.648 CB 1.386 55 residues pruned to eliminate duplicates Z: 43 19.089 1.888 0.320 0.458 0.905 0.524 CA 1.364 43 residues pruned to eliminate duplicates Z: 7 14.757 1.989 0.673 0.646 1.000 0.667 CA 1.580 7 residues pruned to eliminate duplicates Z: 8 4.446 1.579 0.443 0.341 0.714 0.429 C 1.227 Z: 17 16.919 2.059 1.033 0.426 0.812 0.500 CB 1.343 17 residues pruned to eliminate duplicates Z: 19 7.156 1.754 0.192 0.392 0.833 0.444 CB 1.085 17 residues pruned to eliminate duplicates Z: 12 13.482 1.739 0.669 0.898 0.909 0.636 CB 1.102 12 residues pruned to eliminate duplicates Z: 7 5.307 1.686 0.380 0.606 0.833 0.667 CB 1.010 7 residues pruned to eliminate duplicates Z: 42 24.250 1.991 0.498 0.550 0.951 0.561 CA 1.272 42 residues pruned to eliminate duplicates Z: 20 19.056 1.890 0.742 0.648 0.947 0.684 CB 1.221 20 residues pruned to eliminate duplicates Z: 7 6.990 1.617 0.414 0.733 0.833 0.667 CB 1.214 7 residues pruned to eliminate duplicates Z: 6 4.377 1.369 0.369 0.607 1.000 0.600 CA 0.944 6 residues pruned to eliminate duplicates Z: 7 4.490 1.417 0.019 0.661 1.000 0.500 CB 1.094 Z: 13 14.202 1.820 0.439 0.905 0.833 0.667 CA 1.337 13 residues pruned to eliminate duplicates Z: 51 31.245 2.000 0.752 0.560 0.900 0.540 CA 1.323 51 residues pruned to eliminate duplicates Z: 6 7.611 1.802 0.050 0.824 1.000 1.000 N 1.359 6 residues pruned to eliminate duplicates Z: 24 11.571 1.792 0.392 0.398 0.826 0.739 CB 1.303 24 residues pruned to eliminate duplicates 6 1.915 1.391 0.429 0.790 0.800 0.400 CB 0.417 ? Z: 8 9.817 1.686 0.489 0.820 1.000 0.857 CA 1.120 8 residues pruned to eliminate duplicates Z: 10 22.907 1.939 1.174 0.905 1.000 0.778 CA 1.289 10 residues pruned to eliminate duplicates Z: 11 12.152 1.714 0.731 0.775 0.900 0.700 CB 1.129 11 residues pruned to eliminate duplicates Z: 10 17.430 1.951 0.647 0.903 1.000 0.444 CA 1.289 10 residues pruned to eliminate duplicates Z: 11 18.629 1.881 0.550 0.929 1.000 0.900 CA 1.414 11 residues pruned to eliminate duplicates Z: 72 32.793 1.988 0.613 0.503 0.901 0.549 CB 1.342 72 residues pruned to eliminate duplicates Z: 28 22.241 1.973 0.482 0.614 0.926 0.704 CA 1.419 28 residues pruned to eliminate duplicates Z: 14 14.979 1.790 0.666 0.869 0.846 0.308 CB 1.203 14 residues pruned to eliminate duplicates Z: 7 9.884 1.956 0.236 0.878 1.000 0.833 CB 1.212 7 residues pruned to eliminate duplicates Z: 14 17.217 1.809 0.667 0.784 1.000 0.769 CA 1.233 14 residues pruned to eliminate duplicates Z: 10 6.709 1.746 0.248 0.603 0.889 0.778 CB 1.047 10 residues pruned to eliminate duplicates Z: 14 19.452 2.035 0.452 0.868 1.000 0.692 CA 1.334 14 residues pruned to eliminate duplicates Z: 23 13.567 1.775 0.720 0.581 0.773 0.409 CA 1.134 23 residues pruned to eliminate duplicates Z: 13 12.256 1.693 0.812 0.837 0.833 0.417 CB 1.035 13 residues pruned to eliminate duplicates Z: 14 16.727 2.016 0.488 0.894 0.923 0.615 CA 1.201 14 residues pruned to eliminate duplicates Z: 25 18.995 1.822 0.627 0.590 0.875 0.667 CA 1.371 25 residues pruned to eliminate duplicates Z: 6 7.610 1.724 0.501 0.770 0.800 0.600 CA 1.295 6 residues pruned to eliminate duplicates Z: 11 7.964 1.771 0.321 0.429 0.900 0.500 CA 1.288 11 residues pruned to eliminate duplicates Z: 6 6.716 1.787 0.208 0.736 1.000 0.800 CA 1.126 6 residues pruned to eliminate duplicates Z: 20 9.483 1.641 0.315 0.397 0.947 0.684 CB 1.186 20 residues pruned to eliminate duplicates Z: 45 21.626 1.890 0.582 0.419 0.909 0.455 CB 1.306 45 residues pruned to eliminate duplicates Z: 7 3.998 1.360 0.487 0.544 0.833 0.833 CB 0.928 7 residues pruned to eliminate duplicates Z: 21 12.150 1.960 0.471 0.328 0.900 0.550 CB 1.264 21 residues pruned to eliminate duplicates Z: 11 12.477 1.862 0.386 0.916 0.800 0.600 CA 1.349 11 residues pruned to eliminate duplicates Z: 13 16.434 1.852 0.563 0.872 1.000 0.667 CA 1.194 13 residues pruned to eliminate duplicates Z: 9 8.963 1.853 0.672 0.867 1.000 0.625 CB 0.748 9 residues pruned to eliminate duplicates Z: 14 15.593 1.946 0.697 0.367 1.000 0.846 CA 1.511 14 residues pruned to eliminate duplicates Z: 6 4.174 1.690 -0.103 0.663 1.000 0.800 CB 1.058 6 residues pruned to eliminate duplicates Z: 37 32.494 1.982 0.607 0.675 1.000 0.694 CB 1.448 37 residues pruned to eliminate duplicates Z: 31 21.576 1.964 0.782 0.577 0.867 0.667 CB 1.206 30 residues pruned to eliminate duplicates Z: 7 7.091 1.664 0.152 0.720 1.000 0.500 CA 1.239 7 residues pruned to eliminate duplicates Z: 9 11.101 1.732 0.942 0.794 0.875 0.750 CA 1.030 9 residues pruned to eliminate duplicates Z: 11 20.774 2.144 0.594 0.930 1.000 0.900 CB 1.345 11 residues pruned to eliminate duplicates Z: 78 28.673 1.831 0.711 0.483 0.883 0.545 CA 1.201 78 residues pruned to eliminate duplicates Z: 14 15.420 1.768 0.790 0.871 0.846 0.769 CA 1.165 14 residues pruned to eliminate duplicates Z: 6 3.821 1.669 0.053 0.294 1.000 0.600 CB 1.225 4 residues pruned to eliminate duplicates Z: 9 16.609 1.961 0.888 0.868 1.000 0.875 CB 1.159 9 residues pruned to eliminate duplicates Z: 8 4.534 1.547 0.243 0.471 0.857 0.714 CB 1.071 Z: 16 25.021 2.112 0.707 0.881 0.933 0.400 CB 1.391 16 residues pruned to eliminate duplicates Z: 23 19.857 1.951 0.855 0.553 0.909 0.500 CB 1.222 23 residues pruned to eliminate duplicates Z: 64 32.675 1.961 0.557 0.603 0.921 0.651 CB 1.328 64 residues pruned to eliminate duplicates Z: 10 14.871 1.840 0.880 0.850 1.000 0.556 CB 1.061 10 residues pruned to eliminate duplicates Z: 60 36.558 2.070 0.603 0.576 0.932 0.593 CA 1.430 60 residues pruned to eliminate duplicates Z: 8 9.105 1.781 0.680 0.479 0.857 0.571 CA 1.371 8 residues pruned to eliminate duplicates Z: 24 9.524 1.807 0.571 0.254 0.739 0.391 CB 1.256 24 residues pruned to eliminate duplicates Z: 14 18.985 1.722 0.872 0.928 1.000 0.846 CA 1.144 14 residues pruned to eliminate duplicates Z: 28 13.929 1.722 0.620 0.428 0.926 0.778 CB 1.119 32 residues pruned to eliminate duplicates Z: 26 19.228 2.015 0.324 0.603 0.880 0.680 CA 1.484 26 residues pruned to eliminate duplicates Z: 7 3.211 1.602 0.923 0.540 0.667 0.667 CB 0.614 Z: 11 8.602 1.672 0.220 0.869 0.800 0.700 CA 1.218 11 residues pruned to eliminate duplicates Z: 14 20.391 1.837 0.896 0.920 1.000 0.769 CB 1.144 14 residues pruned to eliminate duplicates Z: 33 23.449 2.001 0.567 0.458 0.938 0.625 CA 1.472 33 residues pruned to eliminate duplicates Z: 20 12.129 1.724 0.548 0.585 0.789 0.632 CB 1.218 20 residues pruned to eliminate duplicates Z: 12 6.985 1.465 0.495 0.448 0.909 0.636 CB 1.116 7 residues pruned to eliminate duplicates Z: 62 36.625 2.023 0.833 0.464 0.902 0.557 CA 1.455 62 residues pruned to eliminate duplicates Z: 10 11.033 1.832 0.641 0.451 1.000 0.667 CA 1.286 10 residues pruned to eliminate duplicates Z: 8 9.380 1.806 0.345 0.878 1.000 0.714 CB 1.060 7 residues pruned to eliminate duplicates Z: 6 6.772 1.632 0.635 0.836 1.000 0.800 CA 0.849 6 residues pruned to eliminate duplicates Z: 14 28.649 2.149 0.724 0.894 1.000 0.923 CA 1.538 14 residues pruned to eliminate duplicates Z: 11 10.653 1.675 0.362 0.905 1.000 0.800 CA 1.051 11 residues pruned to eliminate duplicates Z: 6 14.586 1.978 1.082 0.876 1.000 0.800 CA 1.151 6 residues pruned to eliminate duplicates Z: 6 3.254 1.533 0.209 0.716 0.800 0.600 CB 0.807 6 residues pruned to eliminate duplicates Z: 10 3.613 1.467 0.236 0.521 0.889 0.444 CB 0.732 Z: 6 2.719 1.820 -0.465 0.459 1.000 0.600 N 1.302 Z: 14 13.625 1.718 0.528 0.902 1.000 0.769 CA 1.026 14 residues pruned to eliminate duplicates Z: 14 18.841 1.840 0.814 0.772 1.000 0.692 CA 1.231 14 residues pruned to eliminate duplicates Z: 7 7.547 1.783 0.389 0.618 0.833 0.667 CB 1.336 Z: 29 23.378 1.896 0.614 0.614 0.964 0.750 CB 1.344 29 residues pruned to eliminate duplicates Z: 14 15.517 1.797 0.628 0.886 1.000 0.769 CB 1.061 14 residues pruned to eliminate duplicates Z: 11 15.042 1.881 0.345 0.915 1.000 0.900 CA 1.328 11 residues pruned to eliminate duplicates Z: 16 25.016 1.940 0.803 0.920 0.933 0.600 CA 1.394 16 residues pruned to eliminate duplicates Z: 14 11.414 1.601 0.632 0.898 0.846 0.231 CB 1.024 14 residues pruned to eliminate duplicates Z: 10 3.193 1.401 0.217 0.319 0.667 0.556 CB 1.143 Z: 12 18.145 1.789 0.958 0.899 0.909 0.364 CB 1.228 11 residues pruned to eliminate duplicates Z: 7 12.614 1.993 0.490 0.824 1.000 1.000 CB 1.309 7 residues pruned to eliminate duplicates Z: 11 18.525 1.860 0.798 0.891 1.000 0.800 CA 1.259 11 residues pruned to eliminate duplicates Z: 44 24.921 1.961 0.529 0.458 0.953 0.558 CB 1.389 44 residues pruned to eliminate duplicates Z: 25 18.027 2.024 0.273 0.577 0.958 0.625 CA 1.384 25 residues pruned to eliminate duplicates Z: 12 12.275 1.660 0.601 0.890 0.909 0.364 CB 1.102 12 residues pruned to eliminate duplicates Z: 17 14.197 1.902 0.634 0.307 1.000 0.812 CB 1.415 17 residues pruned to eliminate duplicates Z: 27 26.474 1.982 0.896 0.633 0.846 0.385 CA 1.441 27 residues pruned to eliminate duplicates Z: 64 34.232 1.997 0.683 0.514 0.921 0.524 CB 1.375 64 residues pruned to eliminate duplicates Z: 6 2.637 1.752 0.126 0.632 0.800 0.800 CB 0.660 Z: 11 17.745 1.890 0.551 0.922 1.000 0.900 CB 1.346 11 residues pruned to eliminate duplicates Z: 28 27.544 2.003 0.919 0.612 0.926 0.519 CA 1.340 28 residues pruned to eliminate duplicates Z: 7 3.932 1.267 0.015 0.784 1.000 1.000 CA 0.972 7 residues pruned to eliminate duplicates Z: 9 10.463 1.689 0.610 0.827 0.875 0.250 CA 1.172 12 residues pruned to eliminate duplicates Z: 12 13.670 1.731 0.472 0.899 1.000 0.636 CB 1.156 12 residues pruned to eliminate duplicates Z: 53 29.225 1.876 0.619 0.551 0.904 0.538 CB 1.406 53 residues pruned to eliminate duplicates Z: 65 23.270 1.899 0.555 0.390 0.859 0.562 CB 1.289 65 residues pruned to eliminate duplicates Z: 23 18.288 1.833 0.558 0.523 0.955 0.545 CA 1.398 23 residues pruned to eliminate duplicates Z: 6 2.778 1.526 0.275 0.511 0.600 0.400 O 1.052 Z: 6 8.581 1.916 0.460 0.815 0.800 0.600 CA 1.304 6 residues pruned to eliminate duplicates Z: 7 9.238 1.952 0.505 0.820 0.833 0.667 CB 1.167 7 residues pruned to eliminate duplicates Z: 75 40.161 2.011 0.569 0.594 0.946 0.635 CB 1.430 75 residues pruned to eliminate duplicates Z: 6 15.996 1.833 0.913 0.834 1.000 1.000 O 1.530 6 residues pruned to eliminate duplicates Z: 8 5.766 1.899 0.381 0.409 0.857 0.429 CA 1.067 8 residues pruned to eliminate duplicates Z: 13 5.406 1.316 0.489 0.869 1.000 0.750 CB 0.582 13 residues pruned to eliminate duplicates Z: 51 27.750 2.021 0.618 0.431 0.940 0.520 CB 1.371 51 residues pruned to eliminate duplicates Z: 53 20.935 1.805 0.456 0.509 0.904 0.577 CB 1.211 54 residues pruned to eliminate duplicates Z: 12 16.336 2.005 0.558 0.898 1.000 0.818 CA 1.128 12 residues pruned to eliminate duplicates Z: 44 20.243 1.916 0.502 0.453 0.884 0.535 CB 1.273 44 residues pruned to eliminate duplicates Z: 10 16.416 2.123 0.297 0.905 1.000 1.000 CA 1.414 10 residues pruned to eliminate duplicates Z: 15 20.648 2.059 0.782 0.524 1.000 0.714 CA 1.468 15 residues pruned to eliminate duplicates Z: 23 13.795 1.751 0.812 0.491 0.818 0.591 CB 1.144 23 residues pruned to eliminate duplicates Z: 64 34.043 2.013 0.494 0.574 0.937 0.651 CB 1.418 64 residues pruned to eliminate duplicates Z: 8 4.114 1.488 0.356 0.480 0.714 0.429 CB 1.101 Z: 24 25.083 2.026 0.571 0.683 1.000 0.609 CA 1.390 24 residues pruned to eliminate duplicates Z: 11 8.675 1.601 0.548 0.473 0.900 0.600 CA 1.265 11 residues pruned to eliminate duplicates Z: 49 29.490 2.014 0.748 0.559 0.875 0.354 CB 1.305 49 residues pruned to eliminate duplicates Z: 7 4.993 1.749 0.438 0.458 0.667 0.500 CB 1.269 7 residues pruned to eliminate duplicates Z: 13 13.472 1.855 0.858 0.901 0.833 0.417 CB 0.966 13 residues pruned to eliminate duplicates Z: 16 22.842 1.890 0.639 0.869 1.000 0.533 CA 1.391 16 residues pruned to eliminate duplicates Z: 7 6.611 1.612 0.248 0.867 0.833 0.667 CB 1.177 7 residues pruned to eliminate duplicates Z: 8 12.627 1.896 0.757 0.741 1.000 0.571 CB 1.154 8 residues pruned to eliminate duplicates Z: 53 23.685 1.969 0.577 0.443 0.904 0.558 CB 1.241 53 residues pruned to eliminate duplicates Z: 19 18.956 1.975 0.372 0.722 1.000 0.778 CA 1.350 19 residues pruned to eliminate duplicates Z: 14 19.395 1.848 0.616 0.836 1.000 0.692 CA 1.349 14 residues pruned to eliminate duplicates Z: 25 23.378 1.963 0.712 0.605 0.917 0.708 CA 1.402 25 residues pruned to eliminate duplicates Z: 6 6.988 1.683 0.436 0.446 1.000 0.800 CA 1.366 6 residues pruned to eliminate duplicates Z: 9 4.595 1.398 0.384 0.531 0.750 0.625 N 1.086 Z: 62 32.114 2.039 0.526 0.517 0.934 0.557 CA 1.391 62 residues pruned to eliminate duplicates Z: 12 8.689 1.727 0.452 0.348 0.909 0.545 CA 1.355 12 residues pruned to eliminate duplicates Z: 26 21.762 2.054 0.440 0.607 0.920 0.880 CA 1.445 26 residues pruned to eliminate duplicates Z: 7 2.082 1.394 0.555 0.201 0.667 0.333 CA 0.839 Z: 6 4.334 1.563 0.402 0.512 0.800 0.600 CA 1.093 Z: 7 10.060 1.785 0.403 0.793 1.000 0.833 CA 1.269 7 residues pruned to eliminate duplicates Z: 83 43.875 2.023 0.796 0.448 0.951 0.549 CA 1.478 83 residues pruned to eliminate duplicates Z: 13 6.911 1.535 0.896 0.339 0.750 0.583 CA 1.089 13 residues pruned to eliminate duplicates Z: 17 10.122 1.636 0.337 0.739 0.938 0.625 CB 0.996 17 residues pruned to eliminate duplicates Z: 34 30.777 2.092 0.663 0.546 1.000 0.667 CA 1.472 34 residues pruned to eliminate duplicates Z: 11 18.787 2.032 0.948 0.876 0.900 0.500 CA 1.212 11 residues pruned to eliminate duplicates Z: 45 32.208 2.038 0.547 0.584 0.977 0.750 CB 1.454 45 residues pruned to eliminate duplicates Z: 13 7.480 1.763 0.484 0.394 0.750 0.500 CA 1.231 13 residues pruned to eliminate duplicates Z: 36 24.173 2.003 0.607 0.533 0.886 0.571 CA 1.387 36 residues pruned to eliminate duplicates Z: 14 12.486 1.923 0.561 0.373 0.923 0.846 CB 1.432 14 residues pruned to eliminate duplicates Z: 6 3.282 1.575 -0.058 0.850 0.800 0.800 CB 0.916 6 residues pruned to eliminate duplicates Z: 11 12.081 1.752 0.697 0.405 1.000 0.700 CA 1.420 11 residues pruned to eliminate duplicates Z: 14 16.683 1.937 0.381 0.870 0.923 0.923 CA 1.368 14 residues pruned to eliminate duplicates Z: 17 20.500 1.903 0.817 0.781 0.938 0.625 CB 1.234 16 residues pruned to eliminate duplicates Z: 25 24.278 2.002 0.628 0.563 0.917 0.708 CB 1.560 25 residues pruned to eliminate duplicates Z: 6 2.274 1.578 0.241 0.279 0.600 0.400 N 1.110 Z: 13 22.278 2.049 0.787 0.888 0.833 0.333 CB 1.518 13 residues pruned to eliminate duplicates Z: 6 12.318 2.019 0.526 0.758 1.000 0.800 CA 1.422 7 residues pruned to eliminate duplicates Z: 9 11.054 1.762 0.541 0.865 1.000 0.750 CA 1.055 9 residues pruned to eliminate duplicates Z: 6 6.338 1.516 0.398 0.683 1.000 0.800 O 1.131 Z: 36 20.990 1.975 0.527 0.538 0.886 0.543 CA 1.279 36 residues pruned to eliminate duplicates Z: 8 8.739 1.853 0.320 0.751 1.000 0.571 CA 1.080 8 residues pruned to eliminate duplicates Z: 62 33.472 1.970 0.619 0.587 0.934 0.623 CB 1.322 62 residues pruned to eliminate duplicates Z: 8 5.453 1.592 0.238 0.570 0.857 0.714 CA 1.139 Z: 31 23.513 2.019 0.694 0.561 0.833 0.600 CA 1.419 31 residues pruned to eliminate duplicates Z: 6 7.028 1.779 0.217 0.638 1.000 0.400 CB 1.275 6 residues pruned to eliminate duplicates Z: 15 25.476 2.108 0.688 0.906 1.000 0.714 CA 1.361 15 residues pruned to eliminate duplicates Z: 20 28.631 2.077 0.783 0.809 0.947 0.789 CA 1.429 20 residues pruned to eliminate duplicates Z: 16 26.429 2.004 0.865 0.860 0.933 0.400 CA 1.439 16 residues pruned to eliminate duplicates Z: 44 31.038 1.943 0.683 0.630 0.930 0.674 CB 1.376 44 residues pruned to eliminate duplicates Z: 14 7.931 1.817 0.278 0.436 0.923 0.615 CB 1.096 14 residues pruned to eliminate duplicates Z: 12 3.604 1.516 -0.108 0.389 0.909 0.545 CB 0.994 6 residues pruned to eliminate duplicates Z: 15 6.893 1.792 0.482 0.249 0.857 0.571 CB 1.081 15 residues pruned to eliminate duplicates Z: 8 8.360 1.784 0.564 0.767 0.857 0.429 CA 1.042 8 residues pruned to eliminate duplicates Z: 10 6.337 1.460 0.707 0.522 0.889 0.222 CA 0.933 5 residues pruned to eliminate duplicates Z: 16 23.072 2.114 0.513 0.876 1.000 0.867 CA 1.354 16 residues pruned to eliminate duplicates Z: 6 2.781 1.345 0.119 0.557 1.000 0.600 CA 0.782 Z: 12 19.289 1.979 0.539 0.854 1.000 0.818 CB 1.410 12 residues pruned to eliminate duplicates Z: 26 11.610 1.760 0.484 0.352 0.840 0.440 CB 1.242 23 residues pruned to eliminate duplicates Z: 8 6.144 1.567 0.412 0.780 0.857 0.571 CA 0.956 8 residues pruned to eliminate duplicates Z: 41 28.515 1.960 0.522 0.651 0.950 0.700 CA 1.382 41 residues pruned to eliminate duplicates Z: 11 5.746 1.529 0.295 0.455 0.800 0.600 CA 1.201 11 residues pruned to eliminate duplicates Z: 12 9.770 1.749 0.535 0.349 0.909 0.818 CB 1.422 12 residues pruned to eliminate duplicates Z: 16 13.298 1.563 0.504 0.898 1.000 0.667 CA 1.045 16 residues pruned to eliminate duplicates Z: 10 8.930 1.906 0.362 0.364 1.000 0.333 CA 1.328 10 residues pruned to eliminate duplicates Z: 6 3.182 1.895 0.613 0.658 0.800 0.800 CB 0.503 6 residues pruned to eliminate duplicates Z: 20 25.781 2.076 0.724 0.736 0.947 0.632 CB 1.412 20 residues pruned to eliminate duplicates Z: 7 10.388 1.676 1.052 0.555 0.833 0.833 O 1.403 Z: 16 13.431 1.845 0.675 0.600 0.733 0.200 CA 1.391 16 residues pruned to eliminate duplicates Z: 21 7.757 1.615 0.319 0.322 0.850 0.400 CA 1.165 Z: 13 4.639 1.413 0.239 0.258 0.917 0.417 CB 1.100 Z: 7 2.824 1.550 0.530 0.320 0.833 0.500 CB 0.711 Z: 6 4.423 1.527 0.271 0.371 1.000 0.400 CA 1.170 6 residues pruned to eliminate duplicates Z: 6 5.710 1.598 0.408 0.521 1.000 0.400 CA 1.111 Z: 8 9.246 1.779 0.706 0.739 0.857 0.286 CB 1.085 8 residues pruned to eliminate duplicates Z: 12 23.444 2.070 0.719 0.918 0.909 0.455 CA 1.542 12 residues pruned to eliminate duplicates Z: 10 18.189 1.823 1.024 0.899 1.000 1.000 CA 1.174 10 residues pruned to eliminate duplicates Z: 8 6.324 1.701 0.601 0.295 0.857 0.286 CA 1.288 8 residues pruned to eliminate duplicates Z: 12 3.400 1.595 0.434 0.196 0.727 0.364 CB 0.885 12 residues pruned to eliminate duplicates Z: 12 12.070 1.690 0.763 0.863 0.818 0.727 CA 1.095 12 residues pruned to eliminate duplicates Z: 10 3.997 1.611 0.560 0.353 0.667 0.333 CB 0.933 10 residues pruned to eliminate duplicates Z: 14 14.534 1.659 0.644 0.782 0.923 0.615 CA 1.249 14 residues pruned to eliminate duplicates Z: 13 12.817 1.775 0.603 0.655 1.000 0.750 CB 1.126 13 residues pruned to eliminate duplicates Z: 19 14.993 1.942 0.530 0.535 0.889 0.556 CA 1.293 19 residues pruned to eliminate duplicates Z: 15 14.902 1.787 0.421 0.803 1.000 0.857 CA 1.204 15 residues pruned to eliminate duplicates Z: 15 18.431 1.968 0.683 0.692 0.857 0.714 CA 1.455 15 residues pruned to eliminate duplicates Z: 8 2.241 1.365 0.083 0.332 0.714 0.429 CB 0.963 8 residues pruned to eliminate duplicates Z: 13 12.553 1.887 0.409 0.813 1.000 0.750 CA 1.038 13 residues pruned to eliminate duplicates Z: 48 32.616 2.000 0.698 0.614 0.894 0.617 CB 1.407 48 residues pruned to eliminate duplicates Z: 71 37.800 2.018 0.487 0.613 0.943 0.614 CB 1.435 71 residues pruned to eliminate duplicates Z: 6 3.903 1.907 0.009 0.600 0.800 0.800 CB 1.031 6 residues pruned to eliminate duplicates Z: 7 3.551 1.428 0.235 0.777 1.000 0.667 CA 0.644 Z: 10 7.114 1.476 0.791 0.537 0.778 0.222 CA 1.112 10 residues pruned to eliminate duplicates Z: 7 10.342 1.655 0.973 0.812 1.000 0.833 CB 0.986 6 residues pruned to eliminate duplicates Z: 7 4.610 1.397 0.275 0.770 1.000 0.667 CA 0.832 7 residues pruned to eliminate duplicates Z: 10 16.667 2.002 0.661 0.918 1.000 1.000 CA 1.178 10 residues pruned to eliminate duplicates Z: 11 7.129 1.811 0.294 0.591 0.900 0.600 CA 0.980 21 residues pruned to eliminate duplicates Z: 8 16.999 1.911 0.900 0.889 1.000 0.571 CB 1.275 15 residues pruned to eliminate duplicates Z: 8 7.475 1.697 0.188 0.740 1.000 0.714 CA 1.130 8 residues pruned to eliminate duplicates Z: 8 6.831 1.523 0.941 0.654 0.857 0.714 CB 0.883 Z: 20 15.811 2.023 0.358 0.768 0.895 0.632 CA 1.164 20 residues pruned to eliminate duplicates Z: 59 33.731 1.967 0.559 0.574 0.966 0.690 CA 1.393 59 residues pruned to eliminate duplicates Z: 11 5.698 1.743 0.384 0.377 0.700 0.500 CB 1.217 11 residues pruned to eliminate duplicates Z: 7 7.712 1.612 0.470 0.732 1.000 0.833 CB 1.079 7 residues pruned to eliminate duplicates Z: 6 2.867 1.451 0.555 0.353 0.600 0.400 C 1.111 6 residues pruned to eliminate duplicates Z: 11 9.198 1.614 0.523 0.788 0.900 0.800 CA 1.021 9 residues pruned to eliminate duplicates 6 1.388 1.158 0.228 0.573 0.800 0.600 CB 0.509 ? Z: 10 4.414 1.578 0.193 0.271 0.889 0.444 CB 1.140 10 residues pruned to eliminate duplicates Z: 67 40.078 2.008 0.587 0.622 0.955 0.652 CB 1.445 67 residues pruned to eliminate duplicates Z: 26 23.302 1.972 0.729 0.595 0.920 0.400 CB 1.357 26 residues pruned to eliminate duplicates Z: 7 2.800 1.424 0.571 0.239 0.667 0.500 N 1.037 Z: 12 6.759 1.689 0.446 0.283 0.818 0.545 CA 1.302 12 residues pruned to eliminate duplicates Z: 13 12.391 1.908 0.478 0.413 1.000 0.833 CB 1.389 12 residues pruned to eliminate duplicates Z: 61 33.323 1.994 0.596 0.591 0.917 0.700 CB 1.351 61 residues pruned to eliminate duplicates Z: 11 9.223 1.570 0.874 0.654 0.900 0.700 N 0.955 8 residues pruned to eliminate duplicates Z: 25 13.201 1.786 0.485 0.449 0.875 0.625 CB 1.224 25 residues pruned to eliminate duplicates 6 1.867 1.186 0.430 0.285 0.800 0.800 N 0.784 ? Z: 17 26.091 1.979 0.851 0.856 0.938 0.438 CA 1.400 16 residues pruned to eliminate duplicates Z: 14 8.880 1.768 0.622 0.441 0.769 0.615 CB 1.186 14 residues pruned to eliminate duplicates Z: 15 9.257 1.852 0.371 0.362 0.857 0.357 CB 1.318 15 residues pruned to eliminate duplicates Z: 12 12.375 1.719 0.634 0.880 0.909 0.545 CB 1.059 12 residues pruned to eliminate duplicates Z: 33 18.601 1.935 0.431 0.460 0.875 0.562 CA 1.414 33 residues pruned to eliminate duplicates Z: 9 9.683 1.745 0.368 0.521 1.000 0.875 CA 1.405 9 residues pruned to eliminate duplicates Z: 12 13.709 1.977 0.633 0.860 0.818 0.636 CA 1.151 12 residues pruned to eliminate duplicates Z: 17 9.675 1.826 0.463 0.332 0.812 0.625 CA 1.339 17 residues pruned to eliminate duplicates Z: 10 12.832 2.032 0.515 0.475 1.000 0.778 CB 1.424 10 residues pruned to eliminate duplicates Z: 12 5.222 1.615 0.491 0.259 0.818 0.364 CB 1.053 12 residues pruned to eliminate duplicates Z: 9 3.329 1.490 0.219 0.433 0.750 0.250 CB 0.926 Z: 9 5.201 1.516 0.403 0.556 0.750 0.625 CB 1.092 9 residues pruned to eliminate duplicates Z: 6 3.637 1.540 0.109 0.436 0.800 0.600 C 1.272 6 residues pruned to eliminate duplicates Z: 11 6.043 1.891 0.357 0.372 0.700 0.400 CB 1.220 11 residues pruned to eliminate duplicates Z: 14 25.539 2.024 0.823 0.814 0.923 0.615 CA 1.582 14 residues pruned to eliminate duplicates Z: 51 36.524 2.051 0.635 0.612 0.960 0.760 CB 1.443 51 residues pruned to eliminate duplicates Z: 8 7.208 1.760 0.599 0.611 0.857 0.857 CA 1.016 8 residues pruned to eliminate duplicates Z: 12 4.980 1.710 0.361 0.372 0.909 0.545 CB 0.814 12 residues pruned to eliminate duplicates Z: 19 12.035 1.926 0.523 0.354 0.944 0.389 CA 1.200 19 residues pruned to eliminate duplicates Z: 13 12.388 1.693 0.543 0.939 0.917 0.917 CA 1.038 13 residues pruned to eliminate duplicates Z: 12 9.058 1.867 0.326 0.319 1.000 0.545 CB 1.347 12 residues pruned to eliminate duplicates Z: 14 20.849 1.786 0.750 0.894 1.000 0.385 CA 1.327 14 residues pruned to eliminate duplicates Z: 20 21.253 1.848 0.537 0.861 0.947 0.632 CA 1.331 20 residues pruned to eliminate duplicates Z: 15 13.983 1.890 0.748 0.326 1.000 0.786 CA 1.369 15 residues pruned to eliminate duplicates Z: 26 18.666 1.889 0.815 0.384 0.880 0.400 CB 1.400 26 residues pruned to eliminate duplicates Z: 9 11.723 1.782 0.628 0.844 1.000 0.750 CA 1.063 9 residues pruned to eliminate duplicates Z: 7 3.846 1.531 0.609 0.171 0.833 0.167 N 1.139 Z: 9 28.849 2.215 0.988 0.918 1.000 0.750 CB 1.633 9 residues pruned to eliminate duplicates Z: 24 11.495 1.896 0.522 0.429 0.783 0.565 CB 1.143 24 residues pruned to eliminate duplicates Z: 6 5.431 1.402 0.618 0.598 1.000 0.400 CB 0.975 Z: 7 2.078 1.453 0.020 0.395 0.667 0.500 CA 0.959 7 residues pruned to eliminate duplicates Z: 6 4.047 1.435 0.864 0.411 1.000 0.400 CB 0.742 Z: 6 5.029 1.534 0.429 0.788 0.800 0.600 CB 0.996 7 residues pruned to eliminate duplicates Z: 7 4.605 1.418 0.487 0.382 0.833 0.667 CB 1.214 7 residues pruned to eliminate duplicates Z: 14 18.256 2.011 0.378 0.908 1.000 0.846 CA 1.298 14 residues pruned to eliminate duplicates Z: 38 21.841 1.950 0.657 0.459 0.865 0.541 CA 1.340 38 residues pruned to eliminate duplicates Z: 11 4.363 1.497 0.457 0.472 0.900 0.700 CB 0.724 7 residues pruned to eliminate duplicates Z: 10 17.327 1.936 0.954 0.876 0.889 0.778 CA 1.249 10 residues pruned to eliminate duplicates Z: 7 6.472 1.750 0.564 0.630 0.833 0.667 CB 1.026 7 residues pruned to eliminate duplicates Z: 8 5.669 1.736 0.347 0.481 0.714 0.429 N 1.307 Z: 16 12.572 1.797 0.450 0.367 1.000 0.733 CB 1.437 16 residues pruned to eliminate duplicates Z: 17 14.840 1.893 0.789 0.473 0.812 0.750 CA 1.386 22 residues pruned to eliminate duplicates Z: 13 11.782 2.011 0.239 0.365 1.000 0.750 CA 1.578 13 residues pruned to eliminate duplicates Z: 23 18.207 1.867 0.485 0.673 0.955 0.773 CA 1.250 23 residues pruned to eliminate duplicates Z: 12 18.497 1.808 0.777 0.882 1.000 0.545 CA 1.256 12 residues pruned to eliminate duplicates Z: 20 14.001 1.903 0.304 0.517 0.947 0.737 CA 1.343 20 residues pruned to eliminate duplicates Z: 20 23.907 2.088 0.661 0.702 0.947 0.579 CA 1.389 20 residues pruned to eliminate duplicates Z: 9 3.170 1.490 0.189 0.396 0.750 0.625 O 0.941 Z: 18 23.300 1.864 0.737 0.920 1.000 0.765 CA 1.229 18 residues pruned to eliminate duplicates Z: 6 2.009 1.139 -0.149 0.527 1.000 0.600 O 0.904 Z: 25 20.238 1.983 0.676 0.393 0.917 0.500 CB 1.519 26 residues pruned to eliminate duplicates Z: 6 2.367 1.318 0.252 0.220 1.000 0.600 C 0.892 Z: 38 22.555 1.928 0.483 0.522 0.973 0.595 CB 1.304 38 residues pruned to eliminate duplicates Z: 11 10.790 1.847 0.148 0.756 1.000 0.600 CA 1.280 10 residues pruned to eliminate duplicates Z: 8 3.392 1.558 0.381 0.432 0.714 0.571 CB 0.895 6 residues pruned to eliminate duplicates Z: 32 31.272 2.146 0.776 0.576 0.968 0.645 CA 1.415 32 residues pruned to eliminate duplicates Z: 49 29.423 2.020 0.589 0.586 0.875 0.667 CB 1.392 49 residues pruned to eliminate duplicates Z: 9 11.535 1.713 0.571 0.787 1.000 0.625 CA 1.178 9 residues pruned to eliminate duplicates Z: 6 4.071 1.367 0.621 0.661 1.000 0.200 CB 0.707 6 residues pruned to eliminate duplicates Z: 14 3.985 1.512 0.178 0.312 0.769 0.462 CB 0.994 Z: 8 2.472 1.343 0.660 0.357 0.714 0.429 CB 0.685 Z: 8 6.510 1.706 0.425 0.626 1.000 0.571 CB 0.899 8 residues pruned to eliminate duplicates Z: 6 3.438 1.522 0.080 0.338 1.000 0.400 CA 1.116 Z: 13 25.065 2.039 1.025 0.860 0.917 0.583 CA 1.406 13 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 51 33.658 2.052 0.692 0.608 0.920 0.600 CA 1.345 51 residues pruned to eliminate duplicates Z: 53 34.319 2.027 0.751 0.548 0.904 0.500 CB 1.415 53 residues pruned to eliminate duplicates Z: 49 34.679 2.076 0.756 0.587 0.896 0.542 CA 1.410 49 residues pruned to eliminate duplicates Z: 44 35.156 2.084 0.825 0.614 0.930 0.535 CA 1.361 44 residues pruned to eliminate duplicates Z: 50 37.318 2.075 0.840 0.602 0.898 0.510 CA 1.412 50 residues pruned to eliminate duplicates Z: 51 39.917 2.056 0.813 0.599 0.940 0.460 CB 1.465 51 residues pruned to eliminate duplicates Z: 51 34.047 2.077 0.782 0.552 0.900 0.520 CA 1.374 51 residues pruned to eliminate duplicates Z: 52 33.262 2.050 0.750 0.556 0.882 0.569 CA 1.394 52 residues pruned to eliminate duplicates Z: 32 28.752 2.102 0.680 0.617 0.968 0.548 CA 1.352 32 residues pruned to eliminate duplicates Z: 34 22.606 2.008 0.663 0.515 0.848 0.455 CB 1.369 34 residues pruned to eliminate duplicates Z: 34 28.630 2.046 0.743 0.531 0.909 0.394 CA 1.491 34 residues pruned to eliminate duplicates Z: 28 21.717 2.050 0.615 0.488 0.926 0.333 CB 1.380 28 residues pruned to eliminate duplicates Z: 51 33.235 2.044 0.638 0.553 0.980 0.540 CA 1.361 51 residues pruned to eliminate duplicates Z: 50 33.865 2.045 0.659 0.562 0.918 0.408 CB 1.462 50 residues pruned to eliminate duplicates Z: 36 24.201 1.984 0.739 0.503 0.857 0.486 CB 1.379 36 residues pruned to eliminate duplicates Z: 52 36.780 2.051 0.808 0.530 0.941 0.569 CA 1.433 52 residues pruned to eliminate duplicates Z: 35 25.467 2.036 0.714 0.508 0.882 0.382 CB 1.408 35 residues pruned to eliminate duplicates Z: 44 27.754 1.973 0.741 0.501 0.907 0.465 CA 1.357 44 residues pruned to eliminate duplicates Z: 51 33.255 2.007 0.701 0.538 0.920 0.480 CB 1.443 51 residues pruned to eliminate duplicates Z: 47 32.170 2.047 0.747 0.555 0.870 0.500 CA 1.445 47 residues pruned to eliminate duplicates Z: 36 26.140 1.986 0.750 0.539 0.886 0.600 CB 1.382 36 residues pruned to eliminate duplicates Z: 52 35.020 2.019 0.726 0.561 0.941 0.588 CA 1.409 52 residues pruned to eliminate duplicates Z: 10 10.335 2.034 0.396 0.498 0.889 0.667 CB 1.368 10 residues pruned to eliminate duplicates Z: 24 19.549 2.048 0.546 0.550 0.870 0.522 CB 1.409 24 residues pruned to eliminate duplicates Z: 40 26.597 1.977 0.668 0.464 0.974 0.564 CB 1.375 40 residues pruned to eliminate duplicates Z: 17 12.538 1.958 0.682 0.541 0.750 0.438 CB 1.220 17 residues pruned to eliminate duplicates Z: 78 41.974 2.032 0.698 0.534 0.909 0.558 CB 1.474 76 residues pruned to eliminate duplicates Z: 7 3.859 1.665 0.284 0.718 0.500 0.167 CB 1.210 Z: 17 19.186 1.879 0.632 0.726 1.000 0.750 CA 1.276 17 residues pruned to eliminate duplicates Z: 50 24.826 2.007 0.542 0.458 0.837 0.429 CB 1.430 50 residues pruned to eliminate duplicates Z: 48 25.483 1.935 0.603 0.509 0.872 0.553 CB 1.361 64 residues pruned to eliminate duplicates Z: 13 18.177 2.021 0.726 0.793 0.917 0.750 CA 1.270 13 residues pruned to eliminate duplicates Z: 77 44.263 2.052 0.732 0.531 0.947 0.605 CA 1.463 77 residues pruned to eliminate duplicates Z: 19 14.613 2.019 0.469 0.584 0.778 0.500 CA 1.377 19 residues pruned to eliminate duplicates Z: 27 18.945 1.967 0.589 0.537 0.846 0.577 CB 1.354 27 residues pruned to eliminate duplicates Z: 77 46.314 2.078 0.757 0.531 0.947 0.566 CA 1.490 77 residues pruned to eliminate duplicates Z: 39 26.273 2.017 0.563 0.432 0.974 0.579 CB 1.490 39 residues pruned to eliminate duplicates Z: 25 17.729 1.994 0.445 0.511 0.875 0.458 CA 1.420 25 residues pruned to eliminate duplicates Z: 38 26.934 2.036 0.657 0.472 0.946 0.676 CB 1.427 38 residues pruned to eliminate duplicates Z: 38 25.870 2.041 0.614 0.452 0.946 0.703 CB 1.434 38 residues pruned to eliminate duplicates Z: 39 21.838 1.999 0.500 0.431 0.895 0.579 CB 1.417 39 residues pruned to eliminate duplicates Z: 27 23.110 2.039 0.506 0.516 0.923 0.654 CA 1.574 27 residues pruned to eliminate duplicates Z: 25 18.784 1.916 0.436 0.447 1.000 0.625 CB 1.471 25 residues pruned to eliminate duplicates Z: 39 22.333 1.965 0.533 0.475 0.921 0.605 CB 1.338 39 residues pruned to eliminate duplicates Z: 31 19.444 1.956 0.504 0.437 0.933 0.667 CB 1.380 31 residues pruned to eliminate duplicates Z: 39 21.858 2.016 0.506 0.426 0.895 0.605 CB 1.409 39 residues pruned to eliminate duplicates Z: 39 21.234 1.982 0.450 0.398 0.947 0.579 CB 1.409 39 residues pruned to eliminate duplicates Z: 36 20.099 2.020 0.546 0.383 0.914 0.543 CB 1.349 36 residues pruned to eliminate duplicates Z: 16 13.641 1.898 0.614 0.250 1.000 0.733 CB 1.533 16 residues pruned to eliminate duplicates Z: 21 12.252 1.916 0.585 0.293 0.800 0.400 CB 1.421 21 residues pruned to eliminate duplicates Z: 39 23.656 2.030 0.515 0.405 0.921 0.579 CB 1.496 39 residues pruned to eliminate duplicates Z: 63 27.673 1.986 0.569 0.425 0.887 0.565 CB 1.374 63 residues pruned to eliminate duplicates Z: 76 37.301 2.021 0.698 0.492 0.893 0.480 CB 1.417 76 residues pruned to eliminate duplicates Z: 13 11.404 1.697 0.411 0.732 1.000 0.833 CB 1.117 13 residues pruned to eliminate duplicates Z: 15 9.477 1.681 0.270 0.590 1.000 0.714 CB 1.088 15 residues pruned to eliminate duplicates Z: 49 20.915 1.917 0.414 0.541 0.896 0.562 CB 1.194 49 residues pruned to eliminate duplicates Z: 48 22.898 1.895 0.603 0.574 0.915 0.574 CB 1.119 48 residues pruned to eliminate duplicates Z: 24 11.580 1.619 0.578 0.495 0.826 0.696 CB 1.149 17 residues pruned to eliminate duplicates Z: 14 18.078 1.686 0.702 0.897 1.000 0.923 CB 1.251 14 residues pruned to eliminate duplicates Z: 22 12.521 1.701 0.525 0.559 0.857 0.714 CB 1.161 22 residues pruned to eliminate duplicates Z: 14 16.269 1.657 0.573 0.884 1.000 0.846 CA 1.251 14 residues pruned to eliminate duplicates Z: 30 14.336 1.745 0.467 0.559 0.862 0.724 CB 1.139 30 residues pruned to eliminate duplicates Z: 45 21.226 1.829 0.519 0.588 0.841 0.591 CB 1.258 45 residues pruned to eliminate duplicates Z: 46 24.143 1.862 0.618 0.572 0.933 0.644 CB 1.193 46 residues pruned to eliminate duplicates Z: 21 13.852 1.669 0.725 0.661 0.850 0.650 CB 1.091 21 residues pruned to eliminate duplicates Z: 6 8.165 1.839 0.246 0.622 1.000 1.000 CA 1.421 7 residues pruned to eliminate duplicates Z: 9 12.403 1.955 0.750 0.708 1.000 0.625 CB 1.061 9 residues pruned to eliminate duplicates Z: 42 30.177 2.001 0.687 0.562 0.976 0.537 CA 1.348 42 residues pruned to eliminate duplicates Z: 16 10.597 1.858 0.610 0.576 0.867 0.733 CB 0.981 19 residues pruned to eliminate duplicates Z: 8 13.264 1.919 0.784 0.815 1.000 1.000 CB 1.113 9 residues pruned to eliminate duplicates Z: 9 13.504 1.823 0.754 0.826 1.000 0.875 CB 1.126 9 residues pruned to eliminate duplicates Z: 8 7.851 1.804 0.445 0.756 0.857 0.857 CB 1.058 8 residues pruned to eliminate duplicates Z: 14 12.938 1.987 0.554 0.612 0.923 0.846 CB 1.133 14 residues pruned to eliminate duplicates Z: 12 4.057 1.426 0.278 0.601 0.818 0.455 CB 0.745 12 residues pruned to eliminate duplicates Z: 12 4.627 1.563 0.472 0.609 0.727 0.455 CB 0.751 20 residues pruned to eliminate duplicates 6 1.782 1.212 0.352 0.405 0.600 0.400 C 0.896 ? Z: 6 8.382 1.876 0.731 0.421 1.000 0.200 CB 1.254 Z: 7 7.191 1.728 0.479 0.500 0.833 0.333 CB 1.379 4 residues pruned to eliminate duplicates Z: 7 3.967 1.571 0.646 0.327 0.667 0.333 CA 1.136 7 residues pruned to eliminate duplicates Z: 26 10.490 1.785 0.548 0.399 0.840 0.560 CA 1.006 26 residues pruned to eliminate duplicates Z: 16 5.379 1.833 0.478 0.280 0.533 0.200 CA 1.232 16 residues pruned to eliminate duplicates Z: 76 33.661 2.022 0.611 0.550 0.813 0.520 CB 1.398 76 residues pruned to eliminate duplicates Z: 76 36.859 2.017 0.524 0.573 0.907 0.573 CB 1.424 76 residues pruned to eliminate duplicates Z: 15 7.758 1.890 0.588 0.316 0.643 0.143 CB 1.316 15 residues pruned to eliminate duplicates Z: 78 39.351 2.024 0.629 0.561 0.896 0.610 CB 1.431 86 residues pruned to eliminate duplicates Z: 105 40.319 1.985 0.617 0.512 0.865 0.567 CB 1.407 130 residues pruned to eliminate duplicates Z: 16 11.756 1.683 0.572 0.701 0.800 0.333 CB 1.194 16 residues pruned to eliminate duplicates Z: 74 35.785 1.951 0.542 0.588 0.904 0.603 CB 1.414 74 residues pruned to eliminate duplicates Z: 69 36.305 2.016 0.561 0.602 0.926 0.647 CB 1.370 69 residues pruned to eliminate duplicates Z: 50 27.463 2.017 0.498 0.571 0.857 0.571 CB 1.414 50 residues pruned to eliminate duplicates Z: 65 37.515 2.022 0.599 0.607 0.938 0.625 CB 1.397 65 residues pruned to eliminate duplicates Z: 64 40.461 2.059 0.631 0.612 0.968 0.683 CB 1.410 65 residues pruned to eliminate duplicates Z: 14 15.473 1.745 0.668 0.852 0.923 0.308 CA 1.181 14 residues pruned to eliminate duplicates Z: 61 41.416 2.067 0.675 0.638 0.950 0.717 CB 1.429 61 residues pruned to eliminate duplicates Z: 25 13.501 1.899 0.654 0.517 0.708 0.250 CB 1.217 25 residues pruned to eliminate duplicates Z: 48 34.088 2.026 0.657 0.605 0.936 0.532 CB 1.432 48 residues pruned to eliminate duplicates Z: 69 38.871 2.006 0.606 0.604 0.956 0.559 CB 1.387 69 residues pruned to eliminate duplicates Z: 70 40.321 2.006 0.639 0.600 0.928 0.565 CA 1.447 70 residues pruned to eliminate duplicates Z: 79 33.389 1.987 0.632 0.539 0.795 0.538 CB 1.411 79 residues pruned to eliminate duplicates Z: 74 33.834 2.012 0.563 0.565 0.877 0.589 CB 1.349 74 residues pruned to eliminate duplicates Z: 6 4.494 1.420 0.735 0.424 1.000 0.800 CA 0.883 6 residues pruned to eliminate duplicates Z: 53 38.937 2.052 0.733 0.579 0.962 0.635 CB 1.463 52 residues pruned to eliminate duplicates Z: 6 3.250 1.352 0.890 0.320 0.800 0.800 N 0.867 6 residues pruned to eliminate duplicates Z: 78 40.049 2.028 0.665 0.542 0.909 0.519 CB 1.426 78 residues pruned to eliminate duplicates Z: 7 8.346 1.944 0.620 0.318 1.000 0.500 CA 1.322 7 residues pruned to eliminate duplicates Z: 43 33.706 2.022 0.648 0.637 0.929 0.619 CB 1.478 43 residues pruned to eliminate duplicates Z: 67 39.933 2.037 0.590 0.634 0.939 0.667 CB 1.425 67 residues pruned to eliminate duplicates Z: 69 33.866 2.012 0.569 0.536 0.868 0.632 CB 1.448 69 residues pruned to eliminate duplicates Z: 66 36.900 2.019 0.673 0.589 0.923 0.585 CB 1.347 66 residues pruned to eliminate duplicates Z: 51 36.326 2.073 0.621 0.582 0.940 0.660 CB 1.503 51 residues pruned to eliminate duplicates Z: 67 41.994 2.056 0.660 0.632 0.924 0.636 CB 1.448 67 residues pruned to eliminate duplicates Z: 60 37.339 2.060 0.572 0.614 0.932 0.525 CB 1.444 60 residues pruned to eliminate duplicates Z: 52 37.558 2.057 0.627 0.592 0.980 0.765 CB 1.467 53 residues pruned to eliminate duplicates Z: 13 22.386 2.056 0.709 0.901 0.917 0.667 CA 1.433 13 residues pruned to eliminate duplicates Z: 45 29.177 1.958 0.670 0.609 0.886 0.523 CB 1.368 45 residues pruned to eliminate duplicates Z: 44 27.750 1.940 0.654 0.572 0.884 0.465 CB 1.392 44 residues pruned to eliminate duplicates Z: 68 44.520 2.039 0.767 0.636 0.940 0.657 CB 1.414 68 residues pruned to eliminate duplicates Z: 13 24.248 2.066 0.814 0.893 0.917 0.750 CA 1.463 13 residues pruned to eliminate duplicates Z: 64 38.092 2.044 0.731 0.592 0.889 0.603 CB 1.397 64 residues pruned to eliminate duplicates Z: 62 37.272 2.020 0.672 0.591 0.918 0.607 CB 1.411 62 residues pruned to eliminate duplicates Z: 68 42.918 2.032 0.653 0.622 0.955 0.627 CB 1.458 68 residues pruned to eliminate duplicates Z: 76 37.615 1.995 0.669 0.562 0.880 0.520 CB 1.395 76 residues pruned to eliminate duplicates Z: 67 40.555 2.037 0.695 0.595 0.955 0.606 CB 1.385 67 residues pruned to eliminate duplicates Z: 26 20.681 2.001 0.458 0.612 0.880 0.720 CB 1.450 26 residues pruned to eliminate duplicates Z: 28 28.446 1.967 0.787 0.597 0.963 0.667 CB 1.474 28 residues pruned to eliminate duplicates Z: 24 20.500 2.005 0.533 0.592 0.913 0.739 CB 1.394 24 residues pruned to eliminate duplicates Z: 27 20.661 1.964 0.601 0.542 0.885 0.654 CB 1.398 27 residues pruned to eliminate duplicates Z: 26 22.833 2.019 0.419 0.599 0.960 0.680 CB 1.510 26 residues pruned to eliminate duplicates Z: 65 37.798 2.036 0.688 0.604 0.906 0.609 CB 1.374 65 residues pruned to eliminate duplicates Z: 28 20.643 1.965 0.533 0.579 0.852 0.667 CB 1.435 28 residues pruned to eliminate duplicates Z: 26 29.692 2.059 0.733 0.632 0.960 0.800 CB 1.532 26 residues pruned to eliminate duplicates Z: 29 25.705 2.005 0.684 0.585 0.929 0.679 CA 1.428 29 residues pruned to eliminate duplicates Z: 74 31.499 1.963 0.580 0.502 0.849 0.507 CB 1.396 74 residues pruned to eliminate duplicates Z: 75 38.792 2.003 0.718 0.597 0.905 0.595 CB 1.319 75 residues pruned to eliminate duplicates Z: 67 42.502 2.037 0.616 0.622 0.955 0.652 CB 1.484 67 residues pruned to eliminate duplicates Z: 28 24.218 1.963 0.596 0.600 0.926 0.667 CB 1.461 28 residues pruned to eliminate duplicates Z: 68 37.728 2.019 0.638 0.609 0.925 0.567 CB 1.358 68 residues pruned to eliminate duplicates Z: 26 27.706 2.064 0.747 0.636 0.960 0.760 CB 1.409 26 residues pruned to eliminate duplicates Z: 14 26.497 2.070 0.788 0.931 1.000 0.692 CB 1.388 14 residues pruned to eliminate duplicates Z: 13 26.087 2.122 0.790 0.931 0.917 0.917 CB 1.511 14 residues pruned to eliminate duplicates Z: 16 23.833 1.894 0.651 0.857 1.000 0.600 CA 1.450 16 residues pruned to eliminate duplicates Z: 29 22.168 1.932 0.553 0.568 0.893 0.536 CB 1.464 29 residues pruned to eliminate duplicates Z: 27 23.248 1.989 0.538 0.611 0.923 0.769 CB 1.454 27 residues pruned to eliminate duplicates Z: 29 20.322 1.955 0.377 0.587 0.893 0.607 CB 1.471 29 residues pruned to eliminate duplicates Z: 67 41.074 2.053 0.595 0.627 0.939 0.621 CB 1.458 67 residues pruned to eliminate duplicates Z: 6 4.273 1.452 0.414 0.569 1.000 1.000 CB 0.871 Z: 8 11.005 1.802 0.723 0.795 0.857 0.714 CB 1.207 8 residues pruned to eliminate duplicates Z: 9 9.844 1.708 0.441 0.724 1.000 0.625 CA 1.155 9 residues pruned to eliminate duplicates Z: 7 12.023 1.801 0.618 0.792 1.000 0.500 CB 1.304 7 residues pruned to eliminate duplicates Z: 9 7.904 1.740 0.502 0.672 0.750 0.375 CA 1.217 9 residues pruned to eliminate duplicates Z: 7 7.987 1.838 0.372 0.705 0.833 0.667 CA 1.287 7 residues pruned to eliminate duplicates Z: 9 8.006 1.716 0.404 0.573 0.875 0.500 CA 1.252 9 residues pruned to eliminate duplicates Z: 7 4.858 1.760 0.857 0.438 0.667 0.667 CB 0.970 7 residues pruned to eliminate duplicates Z: 6 3.751 1.686 0.974 0.410 0.600 0.600 CB 0.923 6 residues pruned to eliminate duplicates Z: 6 6.861 1.783 1.422 0.474 0.800 0.600 CB 0.912 6 residues pruned to eliminate duplicates Z: 10 8.008 1.549 0.740 0.558 0.889 0.778 CB 1.053 7 residues pruned to eliminate duplicates Z: 12 10.425 1.544 0.565 0.762 0.909 0.909 CB 1.133 12 residues pruned to eliminate duplicates Z: 11 12.573 1.629 0.600 0.789 1.000 0.900 CB 1.184 11 residues pruned to eliminate duplicates Z: 20 11.943 1.537 0.630 0.633 0.895 0.579 CB 1.079 23 residues pruned to eliminate duplicates Z: 13 12.047 1.686 0.411 0.853 1.000 0.833 CA 1.081 13 residues pruned to eliminate duplicates Z: 13 11.111 1.793 0.280 0.799 1.000 0.833 CA 1.076 13 residues pruned to eliminate duplicates Z: 14 12.369 1.731 0.364 0.801 1.000 0.615 CA 1.116 14 residues pruned to eliminate duplicates Z: 22 12.330 1.668 0.717 0.636 0.857 0.714 CB 0.965 19 residues pruned to eliminate duplicates Z: 12 13.008 1.712 0.657 0.915 0.909 0.727 CB 1.075 12 residues pruned to eliminate duplicates Z: 14 12.788 1.770 0.525 0.733 1.000 0.615 CB 1.065 15 residues pruned to eliminate duplicates Z: 17 25.701 2.047 0.531 0.871 1.000 0.438 CA 1.496 17 residues pruned to eliminate duplicates Z: 17 24.568 2.112 0.835 0.752 1.000 0.500 CA 1.266 17 residues pruned to eliminate duplicates Z: 50 39.637 2.082 0.815 0.646 0.918 0.388 CB 1.423 50 residues pruned to eliminate duplicates Z: 21 25.918 2.025 0.753 0.684 0.950 0.400 CA 1.451 21 residues pruned to eliminate duplicates Z: 18 26.927 2.051 0.922 0.710 0.941 0.529 CA 1.455 18 residues pruned to eliminate duplicates Z: 14 30.563 2.203 0.688 0.933 1.000 0.692 CA 1.591 17 residues pruned to eliminate duplicates Z: 14 33.287 2.216 0.832 0.913 1.000 0.538 CA 1.609 14 residues pruned to eliminate duplicates Z: 34 29.654 2.052 0.721 0.591 0.970 0.515 CA 1.382 32 residues pruned to eliminate duplicates Z: 15 28.603 2.111 0.749 0.891 1.000 0.714 CA 1.488 17 residues pruned to eliminate duplicates Z: 15 31.392 2.103 0.931 0.897 1.000 0.786 CA 1.480 15 residues pruned to eliminate duplicates Z: 17 25.447 2.147 0.728 0.754 0.938 0.625 CA 1.459 17 residues pruned to eliminate duplicates Z: 19 18.393 2.028 0.750 0.662 0.833 0.278 CA 1.261 19 residues pruned to eliminate duplicates Z: 19 23.313 2.012 0.619 0.743 0.944 0.556 CA 1.437 19 residues pruned to eliminate duplicates Z: 16 31.624 2.106 0.895 0.853 1.000 0.467 CA 1.512 16 residues pruned to eliminate duplicates Z: 15 9.825 1.722 0.468 0.498 0.857 0.571 CB 1.214 15 residues pruned to eliminate duplicates Z: 14 9.722 1.717 0.699 0.557 0.846 0.538 CB 1.033 7 residues pruned to eliminate duplicates Z: 7 3.949 1.664 0.220 0.458 0.667 0.500 CA 1.244 7 residues pruned to eliminate duplicates Z: 26 16.220 1.940 0.332 0.596 0.920 0.720 CA 1.245 26 residues pruned to eliminate duplicates Z: 24 14.987 1.946 0.425 0.497 0.870 0.609 CA 1.299 24 residues pruned to eliminate duplicates Z: 52 29.255 1.951 0.523 0.572 0.941 0.608 CA 1.366 52 residues pruned to eliminate duplicates Z: 28 18.331 1.923 0.496 0.560 0.889 0.556 CA 1.301 28 residues pruned to eliminate duplicates Z: 25 16.891 1.888 0.571 0.503 0.875 0.667 CA 1.324 25 residues pruned to eliminate duplicates Z: 24 16.631 1.989 0.406 0.529 0.870 0.739 CA 1.385 24 residues pruned to eliminate duplicates Z: 55 25.132 1.916 0.425 0.538 0.870 0.611 CA 1.385 55 residues pruned to eliminate duplicates Z: 51 28.759 1.937 0.592 0.592 0.900 0.720 CA 1.342 51 residues pruned to eliminate duplicates Z: 26 22.736 1.956 0.607 0.600 1.000 0.760 CA 1.315 26 residues pruned to eliminate duplicates Z: 25 17.996 1.963 0.508 0.583 0.875 0.667 CA 1.309 25 residues pruned to eliminate duplicates Z: 40 18.861 1.836 0.554 0.498 0.821 0.487 CB 1.293 40 residues pruned to eliminate duplicates Z: 56 28.501 1.914 0.502 0.520 0.964 0.709 CA 1.361 56 residues pruned to eliminate duplicates Z: 23 18.034 1.975 0.439 0.571 0.909 0.727 CA 1.389 23 residues pruned to eliminate duplicates Z: 27 21.184 1.909 0.762 0.569 0.846 0.538 CA 1.365 27 residues pruned to eliminate duplicates Z: 17 20.347 1.974 0.674 0.695 1.000 0.375 CA 1.288 17 residues pruned to eliminate duplicates Z: 57 25.504 1.866 0.480 0.509 0.911 0.589 CB 1.342 57 residues pruned to eliminate duplicates Z: 52 25.951 1.942 0.424 0.559 0.882 0.627 CA 1.406 52 residues pruned to eliminate duplicates Z: 14 13.178 1.588 0.872 0.847 0.923 0.538 CB 0.989 14 residues pruned to eliminate duplicates Z: 14 11.455 1.764 0.640 0.685 0.846 0.538 CB 1.095 14 residues pruned to eliminate duplicates Z: 21 18.662 1.790 0.721 0.669 0.950 0.550 CB 1.220 21 residues pruned to eliminate duplicates Z: 14 12.140 1.758 0.633 0.704 0.846 0.615 CB 1.152 14 residues pruned to eliminate duplicates Z: 11 12.087 1.788 0.536 0.801 0.900 0.600 CA 1.189 11 residues pruned to eliminate duplicates Z: 12 12.299 1.772 0.407 0.823 1.000 0.818 CB 1.124 12 residues pruned to eliminate duplicates Z: 11 15.041 1.786 0.824 0.924 0.900 0.700 CB 1.139 11 residues pruned to eliminate duplicates Z: 13 13.304 1.787 0.548 0.765 0.917 0.667 CB 1.198 13 residues pruned to eliminate duplicates Z: 17 12.842 1.709 0.678 0.728 0.875 0.750 CB 1.042 17 residues pruned to eliminate duplicates Z: 16 12.893 1.757 0.738 0.742 0.867 0.467 CB 1.013 16 residues pruned to eliminate duplicates Z: 37 24.837 1.823 0.640 0.650 0.944 0.556 CA 1.275 37 residues pruned to eliminate duplicates Z: 42 25.777 1.790 0.691 0.640 0.927 0.659 CA 1.260 42 residues pruned to eliminate duplicates Z: 26 19.077 1.835 0.515 0.591 0.960 0.680 CA 1.311 26 residues pruned to eliminate duplicates Z: 33 18.576 1.768 0.540 0.580 0.938 0.688 CA 1.192 33 residues pruned to eliminate duplicates Z: 39 16.312 1.748 0.576 0.465 0.868 0.500 CB 1.146 39 residues pruned to eliminate duplicates Z: 31 21.389 1.745 0.655 0.542 0.933 0.500 CA 1.390 31 residues pruned to eliminate duplicates Z: 38 23.724 1.788 0.655 0.619 0.919 0.622 CB 1.281 38 residues pruned to eliminate duplicates Z: 38 26.025 1.834 0.690 0.607 0.946 0.595 CA 1.318 38 residues pruned to eliminate duplicates Z: 36 22.492 1.825 0.527 0.656 0.914 0.714 CA 1.290 36 residues pruned to eliminate duplicates Z: 25 17.755 1.817 0.598 0.571 0.917 0.708 CA 1.272 25 residues pruned to eliminate duplicates Z: 27 19.434 1.802 0.576 0.548 0.962 0.577 CA 1.333 27 residues pruned to eliminate duplicates Z: 27 19.613 1.809 0.524 0.587 0.962 0.731 CA 1.335 27 residues pruned to eliminate duplicates Z: 60 26.045 1.784 0.569 0.528 0.915 0.576 CB 1.288 60 residues pruned to eliminate duplicates Z: 24 17.363 1.868 0.468 0.605 0.870 0.826 CA 1.374 24 residues pruned to eliminate duplicates Z: 28 19.954 1.775 0.597 0.578 0.926 0.667 CA 1.358 28 residues pruned to eliminate duplicates Z: 28 19.835 1.787 0.629 0.537 0.926 0.704 CA 1.365 28 residues pruned to eliminate duplicates Z: 25 18.471 1.810 0.601 0.578 0.875 0.625 CA 1.379 25 residues pruned to eliminate duplicates Z: 28 20.130 1.748 0.581 0.563 0.963 0.630 CA 1.369 28 residues pruned to eliminate duplicates Z: 27 20.257 1.777 0.637 0.576 0.962 0.500 CA 1.320 27 residues pruned to eliminate duplicates Z: 40 26.904 1.822 0.725 0.662 0.897 0.667 CA 1.314 40 residues pruned to eliminate duplicates Z: 39 20.716 1.786 0.640 0.617 0.816 0.553 CA 1.260 39 residues pruned to eliminate duplicates Z: 27 18.734 1.793 0.627 0.601 0.923 0.538 CA 1.240 27 residues pruned to eliminate duplicates Z: 27 19.778 1.775 0.731 0.568 0.885 0.654 CA 1.337 27 residues pruned to eliminate duplicates Z: 28 18.648 1.793 0.644 0.539 0.852 0.593 CB 1.376 28 residues pruned to eliminate duplicates Z: 24 20.514 1.872 0.725 0.589 0.913 0.783 CA 1.332 24 residues pruned to eliminate duplicates Z: 27 13.572 1.867 0.368 0.527 0.885 0.692 CA 1.147 27 residues pruned to eliminate duplicates Z: 25 15.732 1.915 0.339 0.587 0.958 0.750 CA 1.201 25 residues pruned to eliminate duplicates Z: 26 19.373 1.904 0.516 0.627 1.000 0.720 CA 1.191 26 residues pruned to eliminate duplicates Z: 25 19.517 1.933 0.473 0.620 0.958 0.792 CA 1.303 26 residues pruned to eliminate duplicates Z: 9 7.365 1.736 0.304 0.543 1.000 1.000 CA 1.103 9 residues pruned to eliminate duplicates Z: 27 17.535 1.910 0.356 0.576 0.962 0.654 CA 1.284 27 residues pruned to eliminate duplicates Z: 12 8.823 1.804 0.245 0.456 1.000 0.636 CA 1.239 12 residues pruned to eliminate duplicates Z: 6 7.823 1.871 0.777 0.598 1.000 0.800 CA 0.958 6 residues pruned to eliminate duplicates Z: 54 24.946 1.825 0.482 0.567 0.943 0.585 CA 1.259 54 residues pruned to eliminate duplicates Z: 15 12.523 1.820 0.360 0.759 0.929 0.786 CA 1.156 15 residues pruned to eliminate duplicates Z: 18 19.505 2.046 0.576 0.724 0.941 0.706 CA 1.273 18 residues pruned to eliminate duplicates Z: 26 13.441 1.881 0.318 0.491 0.880 0.560 CA 1.243 26 residues pruned to eliminate duplicates Z: 62 29.438 1.845 0.546 0.640 0.951 0.721 CA 1.220 62 residues pruned to eliminate duplicates Z: 25 20.063 1.957 0.491 0.628 1.000 0.750 CA 1.245 25 residues pruned to eliminate duplicates Z: 29 17.477 1.857 0.445 0.555 0.964 0.607 CA 1.210 29 residues pruned to eliminate duplicates Z: 26 19.784 1.915 0.495 0.630 1.000 0.720 CA 1.223 26 residues pruned to eliminate duplicates Z: 26 19.577 1.950 0.464 0.622 0.960 0.760 CA 1.273 26 residues pruned to eliminate duplicates Z: 28 15.901 1.820 0.447 0.606 0.963 0.667 CA 1.091 28 residues pruned to eliminate duplicates Z: 28 15.579 1.875 0.405 0.608 0.926 0.667 CA 1.109 28 residues pruned to eliminate duplicates Z: 24 18.887 1.945 0.433 0.685 1.000 0.696 CA 1.192 24 residues pruned to eliminate duplicates Z: 26 15.726 1.883 0.364 0.628 1.000 0.720 CA 1.086 26 residues pruned to eliminate duplicates Z: 62 27.405 1.929 0.476 0.495 0.951 0.574 CB 1.303 62 residues pruned to eliminate duplicates Z: 43 24.589 1.867 0.672 0.507 0.929 0.643 CA 1.299 38 residues pruned to eliminate duplicates Z: 8 6.955 1.747 0.697 0.372 0.714 0.571 CA 1.423 8 residues pruned to eliminate duplicates Z: 90 33.079 1.952 0.662 0.377 0.876 0.427 CB 1.407 90 residues pruned to eliminate duplicates Z: 23 15.721 1.961 0.781 0.341 0.864 0.545 CB 1.321 23 residues pruned to eliminate duplicates Z: 19 14.927 1.958 0.800 0.371 0.944 0.556 CB 1.214 19 residues pruned to eliminate duplicates Z: 14 16.000 1.863 1.034 0.343 1.000 0.538 CA 1.390 14 residues pruned to eliminate duplicates Z: 15 18.663 1.945 0.950 0.384 1.000 0.571 CA 1.488 15 residues pruned to eliminate duplicates Z: 16 18.818 1.866 0.949 0.407 1.000 0.467 CA 1.473 16 residues pruned to eliminate duplicates Z: 29 20.299 2.017 0.941 0.355 0.821 0.536 CB 1.394 29 residues pruned to eliminate duplicates Z: 57 32.378 2.009 0.639 0.443 0.929 0.518 CB 1.500 57 residues pruned to eliminate duplicates Z: 74 39.794 2.022 0.779 0.487 0.904 0.685 CA 1.450 74 residues pruned to eliminate duplicates Z: 19 17.629 1.924 0.989 0.335 0.944 0.500 CA 1.377 19 residues pruned to eliminate duplicates Z: 86 41.809 2.030 0.699 0.500 0.929 0.588 CA 1.415 86 residues pruned to eliminate duplicates Z: 52 34.039 2.057 0.706 0.481 0.941 0.608 CB 1.472 52 residues pruned to eliminate duplicates Z: 90 34.233 1.962 0.664 0.391 0.910 0.494 CB 1.371 90 residues pruned to eliminate duplicates Z: 26 28.306 2.032 1.071 0.392 1.000 0.600 CB 1.508 26 residues pruned to eliminate duplicates Z: 49 39.226 2.099 0.869 0.475 0.979 0.583 CB 1.512 49 residues pruned to eliminate duplicates Z: 51 34.905 2.034 0.816 0.463 0.920 0.520 CB 1.509 51 residues pruned to eliminate duplicates Z: 56 36.565 2.025 0.818 0.459 0.945 0.564 CB 1.477 56 residues pruned to eliminate duplicates Z: 29 20.914 2.027 0.932 0.292 0.893 0.429 CB 1.428 29 residues pruned to eliminate duplicates Z: 28 23.248 1.969 0.960 0.354 0.926 0.593 CB 1.466 28 residues pruned to eliminate duplicates Z: 33 20.056 1.943 0.597 0.422 0.906 0.562 CA 1.368 33 residues pruned to eliminate duplicates Z: 72 43.333 2.080 0.797 0.462 0.958 0.521 CA 1.492 72 residues pruned to eliminate duplicates Z: 57 34.939 2.007 0.783 0.449 0.946 0.571 CB 1.453 57 residues pruned to eliminate duplicates Z: 80 40.227 2.014 0.698 0.443 0.949 0.544 CA 1.478 80 residues pruned to eliminate duplicates Z: 87 39.123 2.036 0.597 0.442 0.953 0.523 CA 1.446 87 residues pruned to eliminate duplicates Z: 32 25.593 2.059 0.673 0.508 0.903 0.613 CA 1.466 32 residues pruned to eliminate duplicates Z: 40 25.192 2.027 0.579 0.448 0.949 0.590 CA 1.401 40 residues pruned to eliminate duplicates Z: 53 28.364 1.987 0.583 0.430 0.962 0.519 CA 1.398 53 residues pruned to eliminate duplicates Z: 40 28.459 2.048 0.705 0.487 0.949 0.564 CA 1.394 40 residues pruned to eliminate duplicates Z: 24 28.162 2.167 0.592 0.655 0.957 0.739 CA 1.541 24 residues pruned to eliminate duplicates Z: 23 22.360 2.100 0.633 0.588 0.909 0.591 CB 1.405 23 residues pruned to eliminate duplicates Z: 44 29.487 2.065 0.529 0.498 1.000 0.628 CA 1.427 44 residues pruned to eliminate duplicates Z: 24 27.231 2.116 0.653 0.650 1.000 0.652 CA 1.411 24 residues pruned to eliminate duplicates Z: 49 31.807 2.057 0.757 0.471 0.917 0.646 CA 1.428 49 residues pruned to eliminate duplicates Z: 39 28.879 2.050 0.865 0.461 0.921 0.526 CA 1.384 39 residues pruned to eliminate duplicates Z: 50 36.711 2.067 0.836 0.486 0.939 0.653 CA 1.493 50 residues pruned to eliminate duplicates Z: 26 25.533 2.065 0.623 0.585 0.960 0.640 CA 1.463 26 residues pruned to eliminate duplicates Z: 63 31.699 2.024 0.559 0.496 0.935 0.581 CB 1.370 63 residues pruned to eliminate duplicates Z: 64 34.346 2.058 0.599 0.514 0.905 0.603 CB 1.434 64 residues pruned to eliminate duplicates Z: 25 24.685 2.055 0.552 0.594 0.958 0.375 CB 1.507 25 residues pruned to eliminate duplicates Z: 57 35.286 2.084 0.546 0.544 0.982 0.482 CA 1.428 57 residues pruned to eliminate duplicates Z: 58 35.264 2.083 0.612 0.546 0.930 0.509 CA 1.430 58 residues pruned to eliminate duplicates Z: 82 41.677 2.064 0.698 0.454 0.926 0.494 CA 1.496 82 residues pruned to eliminate duplicates Z: 24 30.779 2.071 0.790 0.646 1.000 0.565 CB 1.510 24 residues pruned to eliminate duplicates Z: 58 39.254 2.096 0.708 0.524 0.965 0.596 CA 1.469 58 residues pruned to eliminate duplicates Z: 48 37.882 2.094 0.747 0.546 0.979 0.660 CA 1.476 48 residues pruned to eliminate duplicates Z: 59 30.744 2.022 0.674 0.443 0.897 0.552 CA 1.411 59 residues pruned to eliminate duplicates Z: 59 36.973 2.072 0.728 0.518 0.897 0.483 CA 1.485 59 residues pruned to eliminate duplicates Z: 64 33.387 2.029 0.641 0.541 0.873 0.603 CA 1.390 64 residues pruned to eliminate duplicates Z: 53 31.886 1.985 0.631 0.500 0.942 0.615 CA 1.449 53 residues pruned to eliminate duplicates Z: 61 35.845 2.055 0.605 0.551 0.950 0.617 CA 1.404 61 residues pruned to eliminate duplicates Z: 84 40.845 2.036 0.660 0.487 0.928 0.542 CA 1.448 84 residues pruned to eliminate duplicates Z: 86 43.516 2.030 0.756 0.483 0.929 0.576 CA 1.449 86 residues pruned to eliminate duplicates Z: 44 33.137 2.029 0.804 0.511 0.977 0.558 CA 1.398 44 residues pruned to eliminate duplicates Z: 44 25.617 1.988 0.640 0.465 0.884 0.558 CA 1.406 44 residues pruned to eliminate duplicates Z: 46 36.363 2.092 0.790 0.565 0.933 0.667 CA 1.456 46 residues pruned to eliminate duplicates Z: 47 32.574 2.062 0.748 0.496 0.891 0.587 CA 1.500 47 residues pruned to eliminate duplicates Z: 59 35.267 2.066 0.638 0.556 0.931 0.621 CA 1.393 59 residues pruned to eliminate duplicates Z: 63 35.296 2.044 0.612 0.542 0.919 0.613 CA 1.420 63 residues pruned to eliminate duplicates Z: 81 42.774 2.055 0.691 0.519 0.900 0.562 CA 1.501 81 residues pruned to eliminate duplicates Z: 61 34.850 2.043 0.602 0.517 0.950 0.600 CA 1.423 61 residues pruned to eliminate duplicates Z: 27 21.054 2.039 0.535 0.585 0.923 0.577 CA 1.317 27 residues pruned to eliminate duplicates Z: 25 17.879 1.996 0.456 0.567 0.917 0.625 CA 1.284 25 residues pruned to eliminate duplicates Z: 12 17.095 2.040 0.711 0.653 1.000 0.727 CA 1.281 12 residues pruned to eliminate duplicates Z: 27 18.487 2.012 0.386 0.627 0.923 0.731 CA 1.250 27 residues pruned to eliminate duplicates Z: 24 18.082 2.022 0.459 0.613 0.870 0.696 CA 1.320 24 residues pruned to eliminate duplicates Z: 28 18.108 1.978 0.434 0.532 0.889 0.556 CA 1.339 28 residues pruned to eliminate duplicates Z: 27 23.722 2.041 0.644 0.530 0.923 0.500 CA 1.459 27 residues pruned to eliminate duplicates Z: 24 20.058 2.050 0.475 0.592 0.957 0.609 CA 1.324 24 residues pruned to eliminate duplicates Z: 24 19.674 2.061 0.464 0.567 0.913 0.565 CA 1.395 24 residues pruned to eliminate duplicates Z: 19 25.352 2.069 0.600 0.765 1.000 0.722 CA 1.427 19 residues pruned to eliminate duplicates Z: 28 20.325 2.015 0.642 0.510 0.889 0.519 CB 1.317 28 residues pruned to eliminate duplicates Z: 25 24.312 2.075 0.834 0.508 0.875 0.500 CB 1.478 25 residues pruned to eliminate duplicates Z: 26 22.686 2.064 0.614 0.561 0.920 0.560 CB 1.396 26 residues pruned to eliminate duplicates Z: 64 37.866 2.063 0.768 0.527 0.889 0.413 CB 1.433 64 residues pruned to eliminate duplicates Z: 61 40.818 2.093 0.677 0.546 0.950 0.533 CB 1.511 61 residues pruned to eliminate duplicates Z: 62 37.098 2.063 0.645 0.543 0.934 0.541 CB 1.436 62 residues pruned to eliminate duplicates Z: 9 6.548 1.800 0.675 0.477 0.750 0.500 CB 1.048 9 residues pruned to eliminate duplicates Z: 9 5.432 1.695 0.608 0.499 0.750 0.500 CB 0.940 9 residues pruned to eliminate duplicates Z: 7 6.454 1.945 0.932 0.531 0.833 0.500 CB 0.816 7 residues pruned to eliminate duplicates Z: 8 8.219 1.808 0.601 0.511 1.000 0.714 CB 1.061 8 residues pruned to eliminate duplicates Z: 10 5.010 1.642 0.566 0.380 0.778 0.444 CB 0.949 10 residues pruned to eliminate duplicates Z: 14 9.349 1.638 0.807 0.465 0.769 0.692 CA 1.180 12 residues pruned to eliminate duplicates Z: 9 5.029 1.571 0.404 0.474 0.875 0.500 CA 0.946 9 residues pruned to eliminate duplicates Z: 69 30.105 1.963 0.561 0.453 0.926 0.559 CB 1.349 69 residues pruned to eliminate duplicates Z: 14 9.780 1.639 0.629 0.483 0.923 0.692 CA 1.120 14 residues pruned to eliminate duplicates Z: 24 11.580 1.674 0.464 0.304 0.913 0.565 CA 1.342 23 residues pruned to eliminate duplicates Z: 7 4.975 1.636 0.794 0.409 0.833 0.500 CA 0.914 7 residues pruned to eliminate duplicates Z: 27 10.155 1.584 0.580 0.352 0.808 0.462 CB 1.157 42 residues pruned to eliminate duplicates Z: 25 11.341 1.771 0.481 0.346 0.833 0.542 CA 1.253 25 residues pruned to eliminate duplicates Z: 27 17.074 1.782 0.688 0.439 0.885 0.577 CB 1.340 27 residues pruned to eliminate duplicates Z: 107 36.413 1.928 0.553 0.483 0.896 0.547 CB 1.340 149 residues pruned to eliminate duplicates Z: 7 7.625 1.663 0.690 0.730 1.000 0.333 CB 0.901 7 residues pruned to eliminate duplicates Z: 21 14.736 1.864 0.695 0.374 0.900 0.450 CB 1.326 21 residues pruned to eliminate duplicates Z: 34 14.675 1.772 0.511 0.428 0.848 0.485 CB 1.212 34 residues pruned to eliminate duplicates Z: 70 31.192 1.982 0.509 0.514 0.913 0.609 CB 1.356 70 residues pruned to eliminate duplicates Z: 26 13.293 1.820 0.540 0.385 0.840 0.480 CB 1.276 26 residues pruned to eliminate duplicates Z: 26 15.254 1.781 0.561 0.436 0.880 0.600 CB 1.333 26 residues pruned to eliminate duplicates Z: 57 23.143 1.939 0.613 0.411 0.893 0.500 CB 1.215 57 residues pruned to eliminate duplicates Z: 67 28.066 1.948 0.565 0.445 0.864 0.576 CB 1.389 67 residues pruned to eliminate duplicates Z: 16 10.850 1.900 0.540 0.282 0.933 0.533 CB 1.312 16 residues pruned to eliminate duplicates Z: 79 36.927 1.977 0.646 0.523 0.910 0.551 CB 1.379 79 residues pruned to eliminate duplicates Z: 49 27.114 2.046 0.616 0.422 0.958 0.583 CB 1.341 49 residues pruned to eliminate duplicates Z: 53 26.198 2.020 0.608 0.421 0.923 0.481 CB 1.316 53 residues pruned to eliminate duplicates Z: 30 16.606 1.956 0.464 0.537 0.793 0.586 CB 1.309 30 residues pruned to eliminate duplicates Z: 44 24.341 1.991 0.676 0.440 0.884 0.488 CB 1.339 44 residues pruned to eliminate duplicates Z: 67 33.305 2.029 0.527 0.503 0.939 0.636 CB 1.405 67 residues pruned to eliminate duplicates Z: 53 25.415 2.034 0.533 0.425 0.923 0.558 CB 1.325 53 residues pruned to eliminate duplicates Z: 58 29.090 2.007 0.607 0.418 0.965 0.579 CB 1.348 58 residues pruned to eliminate duplicates Z: 48 25.160 1.931 0.564 0.449 0.915 0.553 CB 1.400 48 residues pruned to eliminate duplicates Z: 43 22.781 2.008 0.504 0.431 0.929 0.595 CB 1.346 43 residues pruned to eliminate duplicates Z: 79 38.812 1.969 0.640 0.522 0.949 0.628 CB 1.404 79 residues pruned to eliminate duplicates Z: 66 31.436 2.027 0.648 0.447 0.938 0.554 CB 1.314 66 residues pruned to eliminate duplicates Z: 52 26.675 2.009 0.612 0.432 0.961 0.588 CB 1.288 52 residues pruned to eliminate duplicates Z: 65 35.443 2.032 0.523 0.516 0.984 0.609 CB 1.432 65 residues pruned to eliminate duplicates Z: 43 21.847 1.926 0.612 0.434 0.881 0.524 CB 1.320 43 residues pruned to eliminate duplicates Z: 37 26.107 2.031 0.629 0.467 0.944 0.500 CB 1.440 37 residues pruned to eliminate duplicates Z: 39 25.100 2.036 0.546 0.459 0.921 0.579 CB 1.463 39 residues pruned to eliminate duplicates Z: 54 35.680 2.049 0.599 0.580 0.981 0.585 CB 1.412 54 residues pruned to eliminate duplicates Z: 45 24.543 2.029 0.543 0.429 0.932 0.523 CB 1.364 45 residues pruned to eliminate duplicates Z: 59 27.623 2.004 0.520 0.430 0.948 0.569 CB 1.350 59 residues pruned to eliminate duplicates Z: 81 36.426 1.962 0.568 0.509 0.925 0.575 CB 1.418 81 residues pruned to eliminate duplicates Z: 43 28.933 2.056 0.636 0.468 0.976 0.690 CB 1.404 43 residues pruned to eliminate duplicates Z: 63 27.466 1.948 0.561 0.433 0.935 0.548 CB 1.315 63 residues pruned to eliminate duplicates Z: 48 24.075 2.011 0.623 0.405 0.872 0.404 CB 1.363 48 residues pruned to eliminate duplicates Z: 55 25.728 1.926 0.551 0.474 0.926 0.519 CB 1.300 55 residues pruned to eliminate duplicates Z: 49 30.100 2.051 0.697 0.440 0.958 0.562 CB 1.385 49 residues pruned to eliminate duplicates Z: 67 26.139 1.892 0.577 0.426 0.848 0.500 CB 1.373 67 residues pruned to eliminate duplicates Z: 36 27.728 2.080 0.657 0.502 0.886 0.657 CB 1.532 36 residues pruned to eliminate duplicates Z: 39 26.931 2.026 0.702 0.496 0.921 0.632 CB 1.381 39 residues pruned to eliminate duplicates Z: 53 29.383 2.045 0.585 0.466 0.904 0.519 CB 1.439 53 residues pruned to eliminate duplicates Z: 78 38.839 2.007 0.653 0.499 0.909 0.597 CB 1.468 78 residues pruned to eliminate duplicates Z: 51 24.428 2.025 0.477 0.443 0.900 0.580 CB 1.362 51 residues pruned to eliminate duplicates Z: 69 28.646 1.918 0.647 0.458 0.897 0.574 CB 1.280 69 residues pruned to eliminate duplicates Z: 68 36.114 2.045 0.642 0.505 0.910 0.582 CB 1.436 68 residues pruned to eliminate duplicates Z: 59 26.458 1.976 0.577 0.442 0.879 0.552 CB 1.346 59 residues pruned to eliminate duplicates Z: 55 23.414 1.945 0.504 0.418 0.870 0.519 CB 1.364 55 residues pruned to eliminate duplicates Z: 47 30.367 2.005 0.661 0.518 0.957 0.565 CB 1.381 47 residues pruned to eliminate duplicates Z: 43 28.747 2.076 0.598 0.503 0.929 0.643 CB 1.435 43 residues pruned to eliminate duplicates Z: 47 28.921 2.029 0.537 0.476 0.957 0.500 CB 1.465 47 residues pruned to eliminate duplicates Z: 69 33.956 1.960 0.722 0.457 0.926 0.485 CB 1.376 70 residues pruned to eliminate duplicates Z: 7 3.970 1.473 0.670 0.388 1.000 0.000 CA 0.742 7 residues pruned to eliminate duplicates Z: 44 26.770 2.026 0.595 0.490 0.930 0.465 CB 1.372 44 residues pruned to eliminate duplicates Z: 28 17.297 2.030 0.436 0.376 0.963 0.519 CB 1.354 28 residues pruned to eliminate duplicates Z: 70 34.154 2.000 0.617 0.515 0.928 0.580 CB 1.350 70 residues pruned to eliminate duplicates Z: 62 40.460 2.076 0.628 0.552 0.967 0.574 CB 1.506 62 residues pruned to eliminate duplicates Z: 9 10.642 1.948 0.608 0.469 0.875 0.625 CB 1.416 Z: 13 15.073 2.008 0.203 0.874 1.000 0.917 CA 1.312 Z: 16 23.834 1.930 0.873 0.844 0.933 0.533 CA 1.358 17 residues pruned to eliminate duplicates Z: 14 25.807 2.072 0.793 0.875 0.923 0.462 CA 1.518 14 residues pruned to eliminate duplicates Z: 11 23.200 2.235 0.693 0.849 0.900 0.600 CA 1.597 11 residues pruned to eliminate duplicates Z: 71 38.125 2.015 0.595 0.516 0.957 0.586 CB 1.458 92 residues pruned to eliminate duplicates Z: 54 38.946 2.095 0.713 0.589 0.906 0.453 CB 1.511 54 residues pruned to eliminate duplicates Z: 53 40.859 2.089 0.731 0.592 0.923 0.500 CA 1.555 53 residues pruned to eliminate duplicates Z: 52 36.046 2.068 0.710 0.551 0.922 0.569 CB 1.474 52 residues pruned to eliminate duplicates Z: 11 27.863 2.182 0.883 0.745 1.000 0.200 CA 1.722 Z: 16 30.188 1.925 1.056 0.903 1.000 0.467 CB 1.403 11 residues pruned to eliminate duplicates Z: 14 34.092 2.088 1.078 0.918 1.000 0.308 CA 1.537 15 residues pruned to eliminate duplicates Z: 7 11.562 2.004 0.600 0.760 1.000 0.667 CA 1.168 Z: 8 10.072 1.905 0.412 0.796 1.000 0.571 CA 1.092 8 residues pruned to eliminate duplicates Z: 9 8.478 1.708 0.816 0.707 0.875 0.500 CA 0.915 9 residues pruned to eliminate duplicates Z: 8 11.045 1.959 0.427 0.822 1.000 0.571 CA 1.130 7 residues pruned to eliminate duplicates Z: 8 10.840 1.927 0.431 0.804 1.000 0.571 CA 1.140 8 residues pruned to eliminate duplicates Z: 10 9.179 1.817 0.820 0.450 0.889 0.444 CB 1.096 11 residues pruned to eliminate duplicates Z: 8 12.206 1.966 0.606 0.811 1.000 0.857 CA 1.115 7 residues pruned to eliminate duplicates Z: 9 11.588 1.952 0.554 0.530 0.875 0.750 CB 1.499 9 residues pruned to eliminate duplicates Z: 30 18.458 1.926 0.257 0.536 0.966 0.759 CB 1.415 30 residues pruned to eliminate duplicates Z: 13 7.945 1.929 0.400 0.330 0.833 0.583 CB 1.228 13 residues pruned to eliminate duplicates Z: 32 11.671 1.812 0.174 0.546 0.774 0.484 CA 1.217 32 residues pruned to eliminate duplicates Z: 53 27.799 1.910 0.559 0.554 0.923 0.615 CB 1.330 53 residues pruned to eliminate duplicates Z: 13 9.937 1.863 0.390 0.420 0.833 0.583 CA 1.445 13 residues pruned to eliminate duplicates Z: 28 19.651 1.938 0.366 0.572 0.926 0.852 CA 1.440 28 residues pruned to eliminate duplicates Z: 29 17.934 1.907 0.312 0.560 0.964 0.750 CA 1.325 29 residues pruned to eliminate duplicates Z: 31 18.717 1.859 0.406 0.533 0.900 0.600 CB 1.406 31 residues pruned to eliminate duplicates Z: 29 18.797 1.919 0.325 0.539 0.964 0.571 CA 1.395 29 residues pruned to eliminate duplicates Z: 94 36.530 1.967 0.500 0.533 0.946 0.602 CB 1.313 118 residues pruned to eliminate duplicates Z: 14 12.391 1.902 0.363 0.892 0.923 0.769 CA 1.032 14 residues pruned to eliminate duplicates Z: 51 27.840 1.928 0.523 0.555 0.900 0.580 CB 1.412 51 residues pruned to eliminate duplicates Z: 26 21.917 1.972 0.519 0.602 0.920 0.680 CB 1.444 26 residues pruned to eliminate duplicates Z: 24 24.001 2.014 0.477 0.653 0.957 0.783 CA 1.526 24 residues pruned to eliminate duplicates Z: 28 18.208 1.930 0.383 0.571 0.926 0.741 CB 1.324 28 residues pruned to eliminate duplicates Z: 25 21.018 1.963 0.476 0.647 0.917 0.667 CB 1.409 25 residues pruned to eliminate duplicates Z: 51 28.972 1.944 0.572 0.597 0.880 0.460 CB 1.389 51 residues pruned to eliminate duplicates Z: 29 22.026 1.934 0.597 0.536 0.964 0.786 CB 1.349 29 residues pruned to eliminate duplicates Z: 14 6.970 1.752 0.438 0.584 0.846 0.615 CB 0.836 22 residues pruned to eliminate duplicates Z: 8 4.297 1.709 0.208 0.587 1.000 0.714 CB 0.724 Z: 9 8.149 1.637 0.560 0.805 0.875 0.500 CB 0.988 8 residues pruned to eliminate duplicates Z: 9 7.478 1.643 0.443 0.831 0.875 0.500 CB 0.958 9 residues pruned to eliminate duplicates Z: 7 10.720 1.937 0.542 0.769 1.000 0.667 CB 1.155 9 residues pruned to eliminate duplicates Z: 8 8.513 1.763 0.389 0.786 1.000 0.714 CB 1.021 8 residues pruned to eliminate duplicates Z: 20 12.216 1.726 0.446 0.583 0.895 0.684 CB 1.159 20 residues pruned to eliminate duplicates Z: 19 12.648 1.843 0.450 0.526 0.833 0.667 CA 1.305 19 residues pruned to eliminate duplicates Z: 11 8.147 1.785 0.416 0.549 0.800 0.700 CA 1.214 11 residues pruned to eliminate duplicates Z: 20 12.330 1.821 0.456 0.473 0.895 0.684 CA 1.225 20 residues pruned to eliminate duplicates Z: 10 7.961 1.769 0.399 0.534 0.889 0.778 CA 1.167 10 residues pruned to eliminate duplicates Z: 22 13.155 1.775 0.568 0.388 0.857 0.429 CA 1.355 22 residues pruned to eliminate duplicates Z: 16 10.200 1.700 0.485 0.549 0.867 0.600 CA 1.147 16 residues pruned to eliminate duplicates Z: 21 16.183 1.826 0.582 0.481 0.950 0.800 CA 1.344 21 residues pruned to eliminate duplicates Z: 20 15.733 1.774 0.786 0.504 0.947 0.474 CA 1.198 20 residues pruned to eliminate duplicates Z: 21 18.351 1.787 0.630 0.539 1.000 0.750 CA 1.356 21 residues pruned to eliminate duplicates Z: 38 20.538 1.850 0.643 0.450 0.892 0.649 CA 1.311 38 residues pruned to eliminate duplicates Z: 22 12.007 1.742 0.506 0.480 0.905 0.714 CA 1.126 22 residues pruned to eliminate duplicates Z: 21 13.110 1.744 0.567 0.518 0.900 0.700 CA 1.172 21 residues pruned to eliminate duplicates Z: 22 12.606 1.746 0.645 0.533 0.810 0.619 CA 1.145 22 residues pruned to eliminate duplicates Z: 21 11.363 1.779 0.536 0.443 0.800 0.750 CA 1.233 21 residues pruned to eliminate duplicates Z: 21 12.507 1.758 0.510 0.507 0.850 0.700 CA 1.231 21 residues pruned to eliminate duplicates Z: 12 10.794 1.846 0.415 0.670 0.909 0.636 CA 1.171 13 residues pruned to eliminate duplicates Z: 9 10.211 1.787 0.305 0.635 1.000 0.875 CA 1.365 9 residues pruned to eliminate duplicates Z: 17 9.748 1.712 0.288 0.557 0.875 0.562 CB 1.195 17 residues pruned to eliminate duplicates Z: 8 10.821 1.876 0.485 0.757 0.857 0.714 CA 1.363 8 residues pruned to eliminate duplicates Z: 12 12.866 1.882 0.284 0.776 0.909 0.818 CA 1.384 11 residues pruned to eliminate duplicates Z: 7 5.562 1.931 -0.009 0.713 0.667 0.333 CA 1.468 7 residues pruned to eliminate duplicates Z: 15 13.029 1.730 0.524 0.638 0.929 0.714 CB 1.250 12 residues pruned to eliminate duplicates Z: 9 9.492 1.703 0.647 0.825 1.000 0.750 CA 0.904 12 residues pruned to eliminate duplicates Z: 9 6.332 1.600 0.603 0.441 0.875 0.500 CA 1.059 9 residues pruned to eliminate duplicates Z: 9 6.976 1.709 0.536 0.328 0.875 0.500 CA 1.297 12 residues pruned to eliminate duplicates Z: 7 4.839 1.637 0.657 0.699 0.833 0.500 CA 0.729 7 residues pruned to eliminate duplicates Z: 57 22.552 1.886 0.467 0.394 0.929 0.518 CB 1.312 66 residues pruned to eliminate duplicates Z: 64 19.393 1.839 0.411 0.378 0.889 0.413 CB 1.207 64 residues pruned to eliminate duplicates Z: 13 7.260 1.477 0.439 0.351 1.000 0.417 CA 1.158 Z: 7 3.359 1.191 0.742 0.591 0.833 0.333 CB 0.727 4 residues pruned to eliminate duplicates Z: 7 4.795 1.380 0.768 0.476 1.000 0.500 CB 0.822 6 residues pruned to eliminate duplicates Z: 6 4.231 1.370 0.735 0.343 1.000 0.800 N 0.944 Z: 7 4.458 1.465 0.054 0.507 1.000 0.667 O 1.170 4 residues pruned to eliminate duplicates Z: 6 4.659 1.484 0.386 0.467 1.000 0.800 CA 1.048 6 residues pruned to eliminate duplicates Z: 19 15.621 1.877 0.479 0.788 0.944 0.611 CA 1.090 19 residues pruned to eliminate duplicates Z: 40 19.339 1.906 0.485 0.485 0.923 0.462 CB 1.204 40 residues pruned to eliminate duplicates Z: 39 21.894 1.934 0.513 0.494 0.947 0.500 CA 1.289 39 residues pruned to eliminate duplicates Z: 49 21.577 1.953 0.473 0.416 0.958 0.562 CB 1.233 75 residues pruned to eliminate duplicates Z: 20 17.048 1.922 0.524 0.682 0.947 0.579 CA 1.193 20 residues pruned to eliminate duplicates Z: 51 23.602 1.944 0.461 0.447 0.960 0.540 CB 1.292 51 residues pruned to eliminate duplicates Z: 42 22.687 1.914 0.597 0.466 0.902 0.537 CB 1.329 42 residues pruned to eliminate duplicates Z: 28 19.637 1.984 0.381 0.579 0.963 0.667 CA 1.328 28 residues pruned to eliminate duplicates Z: 39 18.881 1.939 0.494 0.471 0.868 0.632 CB 1.254 39 residues pruned to eliminate duplicates Z: 30 14.028 1.880 0.296 0.507 0.897 0.655 CB 1.184 30 residues pruned to eliminate duplicates Z: 33 19.429 1.989 0.416 0.548 0.906 0.688 CA 1.284 33 residues pruned to eliminate duplicates Z: 24 20.725 1.963 0.537 0.661 0.957 0.739 CA 1.290 24 residues pruned to eliminate duplicates Z: 44 19.886 1.988 0.359 0.409 0.930 0.558 CA 1.328 44 residues pruned to eliminate duplicates Z: 54 36.154 2.055 0.733 0.599 0.943 0.755 CA 1.345 54 residues pruned to eliminate duplicates Z: 27 15.458 1.890 0.544 0.481 0.846 0.615 CA 1.251 27 residues pruned to eliminate duplicates Z: 52 27.945 2.042 0.481 0.533 0.882 0.549 CA 1.419 52 residues pruned to eliminate duplicates Z: 39 22.019 1.983 0.419 0.491 0.974 0.579 CA 1.315 39 residues pruned to eliminate duplicates Z: 50 21.796 1.937 0.501 0.435 0.878 0.510 CB 1.305 50 residues pruned to eliminate duplicates Z: 56 32.612 1.988 0.607 0.570 0.964 0.618 CA 1.335 56 residues pruned to eliminate duplicates Z: 26 10.549 1.860 0.268 0.335 0.920 0.480 CB 1.165 26 residues pruned to eliminate duplicates Z: 20 9.531 1.968 0.447 0.283 0.895 0.526 CB 1.096 20 residues pruned to eliminate duplicates Z: 50 23.702 1.973 0.445 0.453 0.939 0.551 CB 1.328 50 residues pruned to eliminate duplicates Z: 51 22.318 1.879 0.579 0.425 0.880 0.500 CA 1.308 51 residues pruned to eliminate duplicates Z: 65 35.969 2.032 0.646 0.531 0.938 0.688 CA 1.390 65 residues pruned to eliminate duplicates Z: 39 18.148 1.929 0.414 0.482 0.895 0.658 CA 1.229 39 residues pruned to eliminate duplicates Z: 51 20.745 1.935 0.508 0.418 0.860 0.520 CB 1.274 51 residues pruned to eliminate duplicates Z: 37 24.308 1.983 0.575 0.511 0.944 0.611 CA 1.359 37 residues pruned to eliminate duplicates Z: 54 35.070 2.052 0.623 0.596 0.925 0.604 CA 1.428 54 residues pruned to eliminate duplicates Z: 18 10.194 1.926 0.644 0.321 0.765 0.471 CA 1.244 18 residues pruned to eliminate duplicates Z: 44 24.272 2.006 0.622 0.439 0.884 0.535 CA 1.371 44 residues pruned to eliminate duplicates Z: 7 5.002 1.717 0.407 0.345 1.000 0.667 CA 1.001 Z: 6 3.583 1.564 0.379 0.264 1.000 0.200 CA 0.973 5 residues pruned to eliminate duplicates Z: 7 4.983 1.751 0.642 0.380 0.833 0.333 CB 0.965 15 residues pruned to eliminate duplicates Z: 21 27.059 2.078 0.722 0.739 0.950 0.600 CA 1.437 21 residues pruned to eliminate duplicates Z: 66 37.080 2.020 0.652 0.557 0.923 0.569 CB 1.412 66 residues pruned to eliminate duplicates Z: 21 31.919 2.129 0.875 0.742 1.000 0.700 CA 1.439 21 residues pruned to eliminate duplicates Z: 68 36.311 1.994 0.707 0.525 0.940 0.582 CB 1.352 68 residues pruned to eliminate duplicates Z: 21 25.729 2.125 0.811 0.680 0.900 0.600 CA 1.408 21 residues pruned to eliminate duplicates Z: 21 27.308 2.064 0.826 0.704 1.000 0.550 CA 1.346 21 residues pruned to eliminate duplicates Z: 55 34.003 2.046 0.645 0.587 0.926 0.593 CA 1.366 55 residues pruned to eliminate duplicates Z: 42 29.689 2.058 0.645 0.560 0.927 0.561 CA 1.393 42 residues pruned to eliminate duplicates Z: 42 30.782 2.039 0.716 0.517 0.976 0.610 CA 1.384 42 residues pruned to eliminate duplicates Z: 20 34.814 2.189 0.935 0.733 1.000 0.579 CB 1.529 20 residues pruned to eliminate duplicates Z: 68 33.771 1.997 0.611 0.523 0.940 0.493 CB 1.333 68 residues pruned to eliminate duplicates Z: 63 31.736 2.004 0.638 0.494 0.903 0.500 CB 1.368 63 residues pruned to eliminate duplicates Z: 21 23.254 2.067 0.754 0.682 0.900 0.400 CB 1.348 21 residues pruned to eliminate duplicates Z: 21 37.092 2.087 1.090 0.756 1.000 0.550 CB 1.513 21 residues pruned to eliminate duplicates Z: 21 29.749 2.134 0.978 0.729 0.900 0.450 CB 1.425 21 residues pruned to eliminate duplicates Z: 55 38.840 2.048 0.852 0.595 0.907 0.537 CA 1.402 55 residues pruned to eliminate duplicates Z: 34 21.740 1.947 0.727 0.517 0.818 0.515 CA 1.352 34 residues pruned to eliminate duplicates Z: 37 18.250 1.861 0.654 0.465 0.917 0.444 CB 1.117 37 residues pruned to eliminate duplicates Z: 34 21.003 1.909 0.561 0.536 0.939 0.515 CB 1.261 34 residues pruned to eliminate duplicates Z: 19 9.362 1.812 0.521 0.266 0.889 0.278 CB 1.176 19 residues pruned to eliminate duplicates Z: 8 7.317 1.906 0.449 0.350 0.857 0.143 CA 1.375 8 residues pruned to eliminate duplicates Z: 71 34.414 1.969 0.584 0.536 0.943 0.514 CB 1.350 71 residues pruned to eliminate duplicates Z: 76 39.411 1.987 0.639 0.576 0.933 0.653 CB 1.392 76 residues pruned to eliminate duplicates Z: 76 37.169 2.008 0.599 0.563 0.893 0.640 CB 1.408 76 residues pruned to eliminate duplicates 6 1.024 1.637 0.178 0.469 0.400 0.400 CB 0.612 ? Z: 24 22.670 1.930 0.657 0.706 0.957 0.609 CA 1.281 24 residues pruned to eliminate duplicates Z: 27 24.756 1.919 0.773 0.655 0.923 0.615 CB 1.338 27 residues pruned to eliminate duplicates Z: 68 35.581 1.978 0.578 0.598 0.940 0.612 CB 1.348 68 residues pruned to eliminate duplicates Z: 68 39.161 2.022 0.596 0.606 0.940 0.672 CA 1.425 68 residues pruned to eliminate duplicates Z: 66 41.470 2.033 0.638 0.618 0.969 0.723 CB 1.425 66 residues pruned to eliminate duplicates Z: 22 22.702 1.949 0.726 0.675 0.952 0.667 CB 1.316 22 residues pruned to eliminate duplicates Z: 48 28.939 1.968 0.536 0.561 0.957 0.638 CB 1.375 48 residues pruned to eliminate duplicates Z: 33 22.809 1.921 0.811 0.558 0.844 0.531 CB 1.299 33 residues pruned to eliminate duplicates Z: 63 39.662 2.027 0.597 0.611 0.984 0.742 CB 1.423 63 residues pruned to eliminate duplicates Z: 66 40.727 2.021 0.638 0.625 0.938 0.631 CB 1.445 66 residues pruned to eliminate duplicates Z: 43 30.851 1.968 0.608 0.615 0.952 0.643 CA 1.417 43 residues pruned to eliminate duplicates Z: 53 30.890 1.946 0.659 0.560 0.942 0.577 CB 1.329 53 residues pruned to eliminate duplicates Z: 43 30.048 1.943 0.607 0.600 0.976 0.476 CA 1.384 43 residues pruned to eliminate duplicates Z: 63 41.423 2.045 0.657 0.633 0.952 0.742 CB 1.440 63 residues pruned to eliminate duplicates Z: 35 30.917 2.007 0.688 0.618 1.000 0.618 CA 1.400 35 residues pruned to eliminate duplicates Z: 65 40.101 2.037 0.558 0.622 0.969 0.672 CB 1.453 65 residues pruned to eliminate duplicates Z: 42 28.247 1.977 0.540 0.626 0.951 0.659 CB 1.352 42 residues pruned to eliminate duplicates Z: 35 33.435 2.019 0.697 0.659 1.000 0.676 CB 1.444 35 residues pruned to eliminate duplicates Z: 22 18.256 1.929 0.751 0.659 0.857 0.619 CB 1.187 22 residues pruned to eliminate duplicates Z: 36 32.316 2.008 0.685 0.651 0.971 0.657 CB 1.444 36 residues pruned to eliminate duplicates Z: 42 32.153 1.917 0.707 0.653 0.976 0.707 CA 1.364 42 residues pruned to eliminate duplicates Z: 44 31.118 1.978 0.623 0.620 0.977 0.651 CB 1.351 44 residues pruned to eliminate duplicates Z: 68 37.940 1.973 0.596 0.611 0.955 0.657 CB 1.387 68 residues pruned to eliminate duplicates Z: 62 40.229 2.031 0.572 0.632 0.984 0.738 CB 1.449 62 residues pruned to eliminate duplicates Z: 63 36.469 2.012 0.573 0.606 0.952 0.710 CB 1.391 63 residues pruned to eliminate duplicates Z: 62 38.076 2.017 0.612 0.609 0.951 0.672 CB 1.422 62 residues pruned to eliminate duplicates Z: 68 43.007 1.996 0.699 0.620 0.955 0.657 CB 1.448 68 residues pruned to eliminate duplicates Z: 59 39.575 2.046 0.612 0.633 0.966 0.586 CB 1.440 59 residues pruned to eliminate duplicates Z: 67 40.116 2.011 0.611 0.626 0.955 0.652 CB 1.418 67 residues pruned to eliminate duplicates Z: 63 33.972 1.980 0.546 0.591 0.952 0.694 CB 1.358 63 residues pruned to eliminate duplicates Z: 29 24.220 1.955 0.723 0.565 0.929 0.643 CB 1.374 29 residues pruned to eliminate duplicates Z: 34 22.201 1.946 0.787 0.533 0.818 0.576 CB 1.316 34 residues pruned to eliminate duplicates Z: 17 11.351 1.839 0.534 0.280 0.938 0.250 CB 1.375 17 residues pruned to eliminate duplicates Z: 47 25.876 1.968 0.568 0.472 0.935 0.630 CB 1.361 47 residues pruned to eliminate duplicates Z: 32 20.331 1.936 0.510 0.517 0.871 0.742 CB 1.410 32 residues pruned to eliminate duplicates Z: 28 20.744 1.995 0.435 0.541 0.926 0.667 CB 1.448 28 residues pruned to eliminate duplicates Z: 28 23.415 2.020 0.532 0.565 0.926 0.741 CB 1.476 28 residues pruned to eliminate duplicates Z: 28 20.972 1.989 0.423 0.552 0.963 0.704 CB 1.407 27 residues pruned to eliminate duplicates Z: 10 11.342 1.897 0.539 0.548 1.000 0.667 CA 1.235 10 residues pruned to eliminate duplicates Z: 60 40.558 2.036 0.674 0.639 0.966 0.712 CB 1.408 60 residues pruned to eliminate duplicates Z: 26 24.676 2.082 0.538 0.561 0.960 0.720 CA 1.515 26 residues pruned to eliminate duplicates Z: 27 26.085 2.003 0.580 0.616 1.000 0.654 CA 1.449 26 residues pruned to eliminate duplicates Z: 6 8.345 1.959 0.626 0.421 1.000 0.800 CB 1.273 6 residues pruned to eliminate duplicates Z: 60 31.615 1.977 0.626 0.546 0.898 0.542 CB 1.362 60 residues pruned to eliminate duplicates Z: 27 20.564 2.032 0.366 0.584 0.923 0.692 CA 1.453 27 residues pruned to eliminate duplicates Z: 25 28.491 2.125 0.597 0.625 1.000 0.750 CA 1.524 25 residues pruned to eliminate duplicates Z: 26 22.528 2.047 0.400 0.596 0.960 0.920 CA 1.494 26 residues pruned to eliminate duplicates Z: 27 20.445 1.989 0.520 0.549 0.846 0.731 CA 1.495 27 residues pruned to eliminate duplicates Z: 68 39.135 1.972 0.648 0.644 0.940 0.627 CB 1.368 68 residues pruned to eliminate duplicates Z: 24 28.388 2.126 0.590 0.611 1.000 0.783 CA 1.577 24 residues pruned to eliminate duplicates Z: 25 27.726 2.079 0.513 0.643 1.000 0.792 CA 1.574 25 residues pruned to eliminate duplicates Z: 25 26.238 2.074 0.514 0.652 0.958 0.875 CA 1.545 25 residues pruned to eliminate duplicates Z: 24 26.425 2.145 0.531 0.645 0.913 0.696 CA 1.605 24 residues pruned to eliminate duplicates Z: 27 22.425 2.048 0.430 0.593 0.923 0.769 CB 1.489 27 residues pruned to eliminate duplicates Z: 25 29.029 2.113 0.578 0.684 0.958 0.750 CB 1.566 26 residues pruned to eliminate duplicates Z: 12 28.185 2.160 0.872 0.915 1.000 0.909 CB 1.485 12 residues pruned to eliminate duplicates Z: 26 29.170 2.095 0.545 0.644 1.000 0.800 CA 1.576 26 residues pruned to eliminate duplicates Z: 18 11.725 1.834 0.521 0.432 0.882 0.529 CA 1.239 18 residues pruned to eliminate duplicates Z: 62 26.629 1.976 0.446 0.479 0.885 0.541 CA 1.377 62 residues pruned to eliminate duplicates Z: 14 12.314 1.924 0.499 0.430 1.000 0.692 CA 1.273 14 residues pruned to eliminate duplicates Z: 17 10.145 1.846 0.405 0.410 0.875 0.438 CA 1.229 17 residues pruned to eliminate duplicates Z: 27 15.177 1.913 0.494 0.542 0.846 0.577 CA 1.181 27 residues pruned to eliminate duplicates Z: 15 13.310 1.952 0.452 0.509 0.929 0.714 CA 1.340 15 residues pruned to eliminate duplicates Z: 23 15.130 1.789 0.857 0.518 0.909 0.591 CA 1.049 23 residues pruned to eliminate duplicates Z: 17 13.885 1.823 0.458 0.453 1.000 0.438 CB 1.371 16 residues pruned to eliminate duplicates Z: 6 5.413 1.551 0.696 0.380 1.000 0.600 CA 1.046 6 residues pruned to eliminate duplicates Z: 15 14.949 1.941 0.523 0.523 1.000 0.643 CA 1.321 16 residues pruned to eliminate duplicates Z: 13 16.621 2.010 0.642 0.758 1.000 0.750 CA 1.156 13 residues pruned to eliminate duplicates Z: 31 23.082 2.002 0.546 0.577 0.933 0.533 CA 1.355 31 residues pruned to eliminate duplicates Z: 31 23.388 2.037 0.539 0.578 0.933 0.667 CA 1.354 31 residues pruned to eliminate duplicates Z: 61 34.685 1.973 0.586 0.557 0.950 0.733 CA 1.425 61 residues pruned to eliminate duplicates Z: 25 20.579 1.998 0.742 0.541 0.875 0.667 CB 1.325 25 residues pruned to eliminate duplicates Z: 49 26.283 1.965 0.591 0.501 0.896 0.500 CA 1.353 49 residues pruned to eliminate duplicates Z: 34 22.179 1.981 0.464 0.573 0.939 0.667 CA 1.321 34 residues pruned to eliminate duplicates Z: 46 26.651 1.999 0.512 0.541 0.889 0.556 CA 1.420 46 residues pruned to eliminate duplicates Z: 33 25.991 2.022 0.721 0.579 0.875 0.625 CA 1.398 33 residues pruned to eliminate duplicates Z: 38 22.323 1.884 0.430 0.531 1.000 0.730 CB 1.322 38 residues pruned to eliminate duplicates Z: 36 22.774 2.032 0.367 0.608 0.886 0.543 CA 1.412 36 residues pruned to eliminate duplicates Z: 47 28.721 1.995 0.395 0.592 0.978 0.587 CA 1.425 47 residues pruned to eliminate duplicates Z: 31 24.835 2.016 0.517 0.595 1.000 0.567 CA 1.355 32 residues pruned to eliminate duplicates 6 1.581 1.557 0.009 0.465 1.000 1.000 CA 0.466 ? Z: 8 10.640 1.724 0.689 0.618 0.857 0.429 CB 1.440 8 residues pruned to eliminate duplicates Z: 25 15.831 1.939 0.570 0.503 0.875 0.500 CB 1.210 25 residues pruned to eliminate duplicates Z: 17 18.296 2.054 0.469 0.546 0.938 0.562 CB 1.546 17 residues pruned to eliminate duplicates Z: 39 25.626 1.986 0.629 0.452 0.921 0.553 CB 1.466 39 residues pruned to eliminate duplicates Z: 37 25.248 2.035 0.642 0.480 0.889 0.528 CA 1.446 37 residues pruned to eliminate duplicates Z: 22 19.307 2.051 0.558 0.514 0.857 0.238 CA 1.517 22 residues pruned to eliminate duplicates Z: 77 31.739 1.923 0.613 0.472 0.908 0.487 CA 1.329 62 residues pruned to eliminate duplicates Z: 11 21.839 2.114 0.796 0.796 0.900 0.200 CA 1.558 11 residues pruned to eliminate duplicates Z: 19 15.631 1.983 0.639 0.494 0.778 0.278 CA 1.466 19 residues pruned to eliminate duplicates Z: 26 21.684 2.001 0.727 0.470 0.920 0.600 CA 1.407 26 residues pruned to eliminate duplicates Z: 48 30.404 2.028 0.628 0.555 0.915 0.617 CA 1.392 48 residues pruned to eliminate duplicates Z: 27 21.921 1.936 0.648 0.561 0.885 0.500 CA 1.435 27 residues pruned to eliminate duplicates Z: 39 27.637 2.026 0.590 0.574 0.947 0.711 CA 1.368 39 residues pruned to eliminate duplicates Z: 38 27.696 2.041 0.779 0.452 0.919 0.622 CA 1.434 38 residues pruned to eliminate duplicates Z: 38 28.819 2.049 0.785 0.443 0.946 0.541 CA 1.452 38 residues pruned to eliminate duplicates Z: 62 35.886 2.010 0.653 0.532 0.951 0.590 CB 1.410 62 residues pruned to eliminate duplicates Z: 49 28.429 2.013 0.620 0.507 0.896 0.500 CB 1.394 49 residues pruned to eliminate duplicates Z: 35 23.751 2.031 0.569 0.452 0.941 0.706 CA 1.428 35 residues pruned to eliminate duplicates Z: 59 28.602 1.980 0.599 0.456 0.879 0.569 CA 1.411 59 residues pruned to eliminate duplicates Z: 59 35.485 2.007 0.702 0.511 0.931 0.655 CA 1.449 59 residues pruned to eliminate duplicates Z: 16 15.301 1.945 0.639 0.372 0.933 0.667 CA 1.524 Z: 6 7.422 1.654 0.561 0.455 1.000 0.400 C 1.346 6 residues pruned to eliminate duplicates Z: 40 22.741 1.936 0.702 0.394 0.872 0.385 CA 1.418 56 residues pruned to eliminate duplicates Z: 39 27.653 2.020 0.716 0.451 0.947 0.711 CA 1.438 39 residues pruned to eliminate duplicates Z: 62 36.684 2.001 0.731 0.529 0.934 0.672 CA 1.410 62 residues pruned to eliminate duplicates Z: 38 28.587 2.044 0.735 0.479 0.919 0.676 CA 1.472 38 residues pruned to eliminate duplicates Z: 59 31.763 1.989 0.642 0.473 0.914 0.621 CB 1.436 59 residues pruned to eliminate duplicates Z: 50 30.847 2.027 0.671 0.523 0.898 0.633 CB 1.416 50 residues pruned to eliminate duplicates Z: 16 16.745 1.994 0.678 0.385 1.000 0.733 CB 1.460 Z: 7 10.007 1.813 0.396 0.598 1.000 0.500 CA 1.469 Z: 6 12.396 1.895 0.737 0.609 1.000 0.600 CA 1.518 6 residues pruned to eliminate duplicates Z: 6 6.846 1.712 0.834 0.597 1.000 0.200 CA 0.889 6 residues pruned to eliminate duplicates Z: 14 14.341 1.750 0.815 0.444 1.000 0.538 CA 1.327 7 residues pruned to eliminate duplicates Z: 9 11.834 1.773 0.772 0.515 1.000 0.625 CA 1.312 9 residues pruned to eliminate duplicates Z: 23 13.584 1.808 0.663 0.411 0.818 0.545 CA 1.292 14 residues pruned to eliminate duplicates Z: 7 6.422 1.778 0.468 0.635 0.667 0.500 CA 1.328 7 residues pruned to eliminate duplicates Z: 25 15.645 1.883 0.605 0.368 0.917 0.542 CA 1.327 23 residues pruned to eliminate duplicates Z: 6 10.749 1.763 0.738 0.608 1.000 0.600 CB 1.416 6 residues pruned to eliminate duplicates Z: 17 5.995 1.758 0.321 0.246 0.750 0.625 CA 1.154 17 residues pruned to eliminate duplicates Z: 24 11.991 1.783 0.613 0.342 0.826 0.609 CA 1.250 24 residues pruned to eliminate duplicates Z: 49 25.147 1.913 0.596 0.477 0.875 0.542 CA 1.392 74 residues pruned to eliminate duplicates Z: 27 13.579 1.836 0.599 0.375 0.846 0.538 CA 1.225 Z: 6 3.050 1.555 0.455 0.419 1.000 0.800 CA 0.656 6 residues pruned to eliminate duplicates Z: 29 12.303 1.850 0.466 0.264 0.857 0.500 CA 1.309 27 residues pruned to eliminate duplicates Z: 16 24.945 2.219 0.545 0.775 1.000 0.733 CA 1.474 16 residues pruned to eliminate duplicates Z: 24 26.072 2.102 0.598 0.620 1.000 0.696 CA 1.444 24 residues pruned to eliminate duplicates Z: 25 23.348 2.066 0.582 0.594 0.958 0.583 CA 1.390 25 residues pruned to eliminate duplicates Z: 26 23.403 2.032 0.543 0.609 0.920 0.720 CA 1.462 26 residues pruned to eliminate duplicates Z: 58 28.612 1.970 0.560 0.525 0.930 0.509 CB 1.293 87 residues pruned to eliminate duplicates Z: 25 25.384 2.054 0.588 0.652 1.000 0.667 CA 1.379 25 residues pruned to eliminate duplicates Z: 25 22.571 2.059 0.540 0.633 0.958 0.750 CA 1.338 25 residues pruned to eliminate duplicates Z: 26 22.580 2.072 0.619 0.574 0.920 0.760 CA 1.362 26 residues pruned to eliminate duplicates Z: 60 26.933 1.947 0.555 0.428 0.932 0.593 CA 1.339 60 residues pruned to eliminate duplicates Z: 38 21.493 2.033 0.511 0.495 0.892 0.649 CA 1.297 38 residues pruned to eliminate duplicates Z: 54 36.191 2.059 0.678 0.566 0.962 0.585 CB 1.404 54 residues pruned to eliminate duplicates Z: 25 22.817 2.066 0.540 0.643 1.000 0.750 CA 1.281 25 residues pruned to eliminate duplicates Z: 25 23.269 2.042 0.686 0.610 0.917 0.667 CA 1.356 25 residues pruned to eliminate duplicates Z: 24 24.975 2.070 0.750 0.614 0.957 0.652 CA 1.349 24 residues pruned to eliminate duplicates Z: 24 26.172 2.119 0.711 0.629 0.957 0.783 CA 1.393 24 residues pruned to eliminate duplicates Z: 23 25.188 2.002 0.657 0.670 0.955 0.682 CA 1.449 23 residues pruned to eliminate duplicates Z: 23 25.080 2.127 0.650 0.626 1.000 0.773 CA 1.353 23 residues pruned to eliminate duplicates Z: 51 27.878 2.007 0.511 0.514 0.960 0.540 CB 1.336 51 residues pruned to eliminate duplicates Z: 57 34.230 2.033 0.728 0.549 0.929 0.589 CB 1.337 57 residues pruned to eliminate duplicates Z: 35 28.768 2.017 0.630 0.564 1.000 0.676 CA 1.411 35 residues pruned to eliminate duplicates Z: 54 34.981 2.018 0.733 0.584 0.906 0.623 CB 1.399 54 residues pruned to eliminate duplicates Z: 78 39.423 2.001 0.658 0.570 0.883 0.571 CB 1.433 78 residues pruned to eliminate duplicates Z: 27 20.104 1.964 0.590 0.537 0.923 0.500 CA 1.320 27 residues pruned to eliminate duplicates Z: 39 31.371 2.056 0.630 0.636 0.947 0.632 CA 1.411 39 residues pruned to eliminate duplicates Z: 44 26.714 2.070 0.408 0.597 0.930 0.651 CA 1.370 44 residues pruned to eliminate duplicates Z: 13 20.501 2.088 0.715 0.737 0.917 0.833 CA 1.457 13 residues pruned to eliminate duplicates Z: 21 23.309 2.050 0.688 0.690 0.950 0.700 CB 1.333 21 residues pruned to eliminate duplicates Z: 14 14.141 1.971 0.428 0.652 0.923 0.462 CB 1.311 14 residues pruned to eliminate duplicates Z: 17 13.943 2.072 0.548 0.573 0.875 0.688 CB 1.158 17 residues pruned to eliminate duplicates Z: 10 16.551 2.146 0.522 0.798 0.889 0.667 CA 1.464 10 residues pruned to eliminate duplicates Z: 16 16.258 2.078 0.571 0.520 0.933 0.533 CB 1.351 16 residues pruned to eliminate duplicates Z: 28 21.854 1.986 0.643 0.621 0.926 0.519 CB 1.242 28 residues pruned to eliminate duplicates Z: 21 21.264 2.035 0.743 0.671 0.900 0.450 CB 1.272 21 residues pruned to eliminate duplicates Z: 23 19.456 1.966 0.659 0.627 0.955 0.455 CB 1.183 23 residues pruned to eliminate duplicates Z: 28 20.247 2.012 0.610 0.581 0.926 0.556 CB 1.202 28 residues pruned to eliminate duplicates Z: 27 18.319 1.960 0.612 0.561 0.885 0.500 CB 1.211 27 residues pruned to eliminate duplicates Z: 28 19.573 2.031 0.613 0.578 0.889 0.370 CB 1.200 28 residues pruned to eliminate duplicates Z: 63 34.418 2.035 0.751 0.538 0.903 0.565 CB 1.309 63 residues pruned to eliminate duplicates Z: 9 5.712 1.800 0.545 0.416 0.875 0.625 CB 0.906 Z: 20 19.666 1.834 0.676 0.717 1.000 0.368 CA 1.206 20 residues pruned to eliminate duplicates Z: 52 31.396 1.959 0.680 0.610 0.902 0.588 CA 1.334 61 residues pruned to eliminate duplicates Z: 20 23.033 1.898 0.697 0.687 1.000 0.316 CA 1.382 20 residues pruned to eliminate duplicates Z: 20 24.880 1.990 0.672 0.687 1.000 0.526 CA 1.445 20 residues pruned to eliminate duplicates Z: 36 26.355 1.972 0.762 0.562 0.914 0.486 CA 1.320 36 residues pruned to eliminate duplicates Z: 53 28.457 1.956 0.736 0.550 0.827 0.519 CA 1.338 53 residues pruned to eliminate duplicates Z: 44 24.439 1.868 0.700 0.478 0.907 0.465 CA 1.323 44 residues pruned to eliminate duplicates Z: 27 22.168 1.972 0.737 0.625 0.808 0.423 CA 1.397 27 residues pruned to eliminate duplicates Z: 36 29.559 2.004 0.832 0.591 0.914 0.371 CA 1.364 36 residues pruned to eliminate duplicates Z: 29 19.633 1.894 0.735 0.598 0.750 0.321 CB 1.371 29 residues pruned to eliminate duplicates Z: 54 33.886 1.982 0.789 0.601 0.887 0.453 CA 1.345 54 residues pruned to eliminate duplicates Z: 28 19.675 1.978 0.715 0.522 0.778 0.259 CB 1.404 28 residues pruned to eliminate duplicates Z: 31 27.795 2.063 0.841 0.556 0.833 0.300 CA 1.519 31 residues pruned to eliminate duplicates Z: 35 26.701 1.979 0.818 0.500 0.882 0.412 CA 1.442 35 residues pruned to eliminate duplicates Z: 50 31.826 1.985 0.732 0.545 0.939 0.531 CA 1.348 50 residues pruned to eliminate duplicates Z: 18 21.757 2.002 0.965 0.435 0.941 0.706 CA 1.525 18 residues pruned to eliminate duplicates Z: 32 21.649 1.969 0.806 0.447 0.903 0.484 CA 1.278 32 residues pruned to eliminate duplicates Z: 46 30.580 1.986 0.657 0.577 0.956 0.556 CA 1.347 46 residues pruned to eliminate duplicates Z: 78 39.067 1.986 0.675 0.554 0.922 0.506 CA 1.378 81 residues pruned to eliminate duplicates Z: 6 6.994 1.544 0.844 0.729 0.800 0.400 CA 1.117 6 residues pruned to eliminate duplicates Z: 49 28.705 1.975 0.827 0.551 0.792 0.438 CA 1.381 49 residues pruned to eliminate duplicates Z: 35 19.679 1.855 0.679 0.406 0.912 0.618 CB 1.312 35 residues pruned to eliminate duplicates Z: 24 15.401 1.864 0.600 0.418 0.913 0.522 CA 1.284 24 residues pruned to eliminate duplicates Z: 36 26.225 1.962 0.804 0.509 0.886 0.429 CA 1.401 36 residues pruned to eliminate duplicates Z: 18 20.429 2.081 0.869 0.401 0.941 0.647 CA 1.502 18 residues pruned to eliminate duplicates Z: 49 30.014 2.004 0.652 0.534 0.938 0.521 CA 1.350 49 residues pruned to eliminate duplicates Z: 29 28.408 2.048 0.988 0.551 0.857 0.607 CA 1.463 29 residues pruned to eliminate duplicates Z: 31 23.908 2.002 0.702 0.479 0.933 0.467 CA 1.402 31 residues pruned to eliminate duplicates Z: 60 32.941 1.958 0.787 0.578 0.847 0.441 CA 1.342 60 residues pruned to eliminate duplicates Z: 68 32.511 1.986 0.727 0.525 0.836 0.448 CB 1.351 68 residues pruned to eliminate duplicates Z: 62 36.289 1.960 0.770 0.569 0.902 0.508 CA 1.389 62 residues pruned to eliminate duplicates Z: 44 33.067 1.983 0.859 0.551 0.930 0.419 CA 1.399 44 residues pruned to eliminate duplicates Z: 21 16.373 1.947 0.543 0.556 0.900 0.500 CA 1.282 21 residues pruned to eliminate duplicates Z: 13 15.545 1.967 0.953 0.667 0.833 0.500 CB 1.201 13 residues pruned to eliminate duplicates Z: 52 31.223 1.982 0.708 0.554 0.863 0.510 CA 1.420 52 residues pruned to eliminate duplicates Z: 13 11.844 1.845 0.745 0.559 0.833 0.667 CA 1.203 13 residues pruned to eliminate duplicates Z: 22 13.432 1.819 0.510 0.532 0.857 0.714 CA 1.208 22 residues pruned to eliminate duplicates Z: 43 35.037 2.037 0.892 0.593 0.929 0.595 CA 1.383 43 residues pruned to eliminate duplicates Z: 52 28.638 1.975 0.601 0.537 0.863 0.569 CA 1.418 52 residues pruned to eliminate duplicates Z: 39 24.717 1.931 0.627 0.484 0.974 0.632 CA 1.332 39 residues pruned to eliminate duplicates Z: 55 32.695 1.938 0.657 0.550 0.944 0.407 CA 1.397 55 residues pruned to eliminate duplicates Z: 51 35.635 2.003 0.682 0.604 0.940 0.460 CA 1.441 51 residues pruned to eliminate duplicates Z: 39 23.892 1.933 0.597 0.479 0.921 0.658 CA 1.393 39 residues pruned to eliminate duplicates Z: 76 40.871 2.022 0.713 0.546 0.920 0.560 CA 1.416 76 residues pruned to eliminate duplicates Z: 23 19.375 1.958 0.624 0.606 0.909 0.591 CB 1.292 23 residues pruned to eliminate duplicates Z: 129 43.885 1.969 0.612 0.490 0.883 0.508 CA 1.398 130 residues pruned to eliminate duplicates Z: 6 3.448 1.689 0.307 0.491 0.600 0.200 CA 1.175 Z: 6 2.648 1.437 0.440 0.304 0.800 0.200 CA 0.889 Z: 18 20.814 1.839 0.779 0.656 0.941 0.647 CA 1.419 24 residues pruned to eliminate duplicates Z: 32 22.396 2.042 0.621 0.442 0.903 0.710 CA 1.428 38 residues pruned to eliminate duplicates Z: 26 26.934 2.057 0.738 0.526 1.000 0.760 CA 1.469 26 residues pruned to eliminate duplicates Z: 25 16.538 1.980 0.537 0.531 0.875 0.792 CA 1.230 25 residues pruned to eliminate duplicates Z: 34 22.719 1.974 0.684 0.437 0.909 0.667 CA 1.396 34 residues pruned to eliminate duplicates Z: 18 14.475 2.032 0.395 0.508 0.941 0.765 CA 1.305 18 residues pruned to eliminate duplicates Z: 25 14.780 1.949 0.437 0.328 0.917 0.542 CA 1.419 25 residues pruned to eliminate duplicates Z: 35 19.154 1.928 0.500 0.450 0.941 0.676 CA 1.271 33 residues pruned to eliminate duplicates Z: 14 14.080 1.844 0.430 0.795 1.000 0.846 CA 1.143 14 residues pruned to eliminate duplicates Z: 37 20.895 1.952 0.617 0.459 0.889 0.611 CA 1.294 37 residues pruned to eliminate duplicates Z: 30 14.496 1.855 0.579 0.413 0.828 0.655 CA 1.216 30 residues pruned to eliminate duplicates Z: 48 26.339 1.942 0.715 0.507 0.894 0.660 CA 1.282 48 residues pruned to eliminate duplicates Z: 37 19.575 1.944 0.523 0.461 0.889 0.667 CA 1.290 37 residues pruned to eliminate duplicates Z: 35 20.128 1.936 0.642 0.466 0.912 0.765 CA 1.234 35 residues pruned to eliminate duplicates Z: 36 21.406 1.932 0.612 0.474 0.943 0.714 CA 1.265 36 residues pruned to eliminate duplicates Z: 29 21.216 2.013 0.668 0.476 0.929 0.750 CA 1.318 29 residues pruned to eliminate duplicates Z: 38 21.296 1.981 0.534 0.478 0.946 0.730 CA 1.245 38 residues pruned to eliminate duplicates Z: 34 22.252 1.903 0.728 0.468 0.909 0.636 CB 1.338 35 residues pruned to eliminate duplicates Z: 6 5.583 1.418 1.054 0.432 0.800 0.400 CA 1.149 6 residues pruned to eliminate duplicates Z: 26 13.088 1.802 0.712 0.293 0.840 0.560 CB 1.274 26 residues pruned to eliminate duplicates Z: 34 20.988 1.941 0.563 0.441 0.909 0.636 CA 1.407 33 residues pruned to eliminate duplicates Z: 7 3.161 1.693 0.327 0.422 0.833 0.667 CB 0.747 7 residues pruned to eliminate duplicates Z: 14 9.641 1.962 0.463 0.352 0.846 0.538 CB 1.292 14 residues pruned to eliminate duplicates Z: 34 21.547 2.008 0.525 0.462 0.939 0.697 CA 1.356 34 residues pruned to eliminate duplicates Z: 14 12.617 1.947 0.652 0.305 1.000 0.538 CB 1.352 14 residues pruned to eliminate duplicates Z: 26 11.057 1.781 0.640 0.439 0.800 0.320 CB 1.008 26 residues pruned to eliminate duplicates Z: 31 22.625 2.004 0.566 0.595 1.000 0.667 CB 1.202 31 residues pruned to eliminate duplicates Z: 18 15.944 1.984 0.583 0.546 0.882 0.706 CB 1.334 18 residues pruned to eliminate duplicates Z: 15 17.713 1.972 0.753 0.514 1.000 0.929 CB 1.351 15 residues pruned to eliminate duplicates Z: 20 9.001 1.622 0.435 0.341 0.895 0.421 CB 1.179 20 residues pruned to eliminate duplicates Z: 33 22.971 2.013 0.442 0.584 1.000 0.625 CA 1.291 33 residues pruned to eliminate duplicates Z: 18 16.158 1.994 0.493 0.553 0.941 0.647 CA 1.329 18 residues pruned to eliminate duplicates Z: 31 20.768 2.001 0.462 0.586 0.933 0.567 CB 1.278 31 residues pruned to eliminate duplicates Z: 37 17.021 1.941 0.478 0.453 0.861 0.472 CB 1.204 37 residues pruned to eliminate duplicates Z: 33 20.806 1.978 0.527 0.568 0.906 0.562 CA 1.258 33 residues pruned to eliminate duplicates Z: 30 18.224 1.923 0.598 0.487 0.897 0.517 CB 1.245 30 residues pruned to eliminate duplicates Z: 16 14.906 1.945 0.594 0.509 1.000 0.867 CA 1.230 16 residues pruned to eliminate duplicates Z: 25 20.240 1.924 0.774 0.599 0.917 0.542 CB 1.202 25 residues pruned to eliminate duplicates Z: 24 14.918 1.998 0.505 0.515 0.870 0.391 CB 1.173 24 residues pruned to eliminate duplicates Z: 35 24.487 1.956 0.615 0.547 0.971 0.559 CB 1.309 35 residues pruned to eliminate duplicates Z: 50 31.039 1.953 0.709 0.571 0.959 0.592 CB 1.294 68 residues pruned to eliminate duplicates Z: 9 12.145 1.876 1.036 0.897 1.000 0.500 CB 0.805 9 residues pruned to eliminate duplicates Z: 35 20.614 1.940 0.520 0.542 0.912 0.588 CB 1.262 35 residues pruned to eliminate duplicates Z: 34 18.027 1.935 0.498 0.436 0.909 0.515 CB 1.272 34 residues pruned to eliminate duplicates Z: 11 10.997 1.920 0.232 0.569 1.000 0.600 N 1.374 11 residues pruned to eliminate duplicates Z: 11 10.416 1.943 0.306 0.493 1.000 0.500 CA 1.307 11 residues pruned to eliminate duplicates Z: 36 19.169 1.918 0.512 0.492 0.886 0.543 CB 1.272 36 residues pruned to eliminate duplicates Z: 8 11.588 2.146 0.325 0.644 1.000 0.429 CB 1.347 8 residues pruned to eliminate duplicates Z: 13 9.045 1.988 0.277 0.356 0.917 0.500 CB 1.312 13 residues pruned to eliminate duplicates Z: 20 14.255 1.954 0.443 0.499 0.947 0.526 CB 1.225 20 residues pruned to eliminate duplicates Z: 33 20.467 1.932 0.527 0.518 0.938 0.594 CB 1.284 33 residues pruned to eliminate duplicates Z: 12 8.949 2.067 0.500 0.377 0.818 0.455 CB 1.212 12 residues pruned to eliminate duplicates Z: 23 14.746 1.918 0.808 0.429 0.818 0.273 CB 1.192 23 residues pruned to eliminate duplicates Z: 50 29.550 1.971 0.865 0.511 0.898 0.571 CB 1.265 50 residues pruned to eliminate duplicates Z: 52 21.923 1.940 0.616 0.450 0.824 0.471 CB 1.251 39 residues pruned to eliminate duplicates Z: 20 18.446 1.781 0.776 0.701 0.895 0.474 CA 1.245 20 residues pruned to eliminate duplicates Z: 23 15.536 1.820 0.809 0.459 0.773 0.409 CB 1.358 23 residues pruned to eliminate duplicates Z: 47 26.627 1.981 0.616 0.509 0.913 0.413 CB 1.331 47 residues pruned to eliminate duplicates Z: 30 23.877 2.034 0.668 0.481 0.931 0.690 CB 1.431 30 residues pruned to eliminate duplicates Z: 16 20.155 1.874 0.810 0.778 0.933 0.733 CA 1.286 16 residues pruned to eliminate duplicates Z: 29 25.707 2.035 0.684 0.483 0.964 0.714 CA 1.496 29 residues pruned to eliminate duplicates Z: 10 22.694 2.011 1.410 0.904 0.889 0.889 CA 1.250 10 residues pruned to eliminate duplicates Z: 38 25.082 2.041 0.699 0.489 0.865 0.703 CA 1.390 38 residues pruned to eliminate duplicates Z: 14 16.007 1.901 0.579 0.729 1.000 0.692 CA 1.203 14 residues pruned to eliminate duplicates Z: 30 23.298 2.036 0.587 0.439 0.966 0.759 CA 1.477 30 residues pruned to eliminate duplicates Z: 38 26.225 2.032 0.623 0.498 0.946 0.703 CB 1.384 38 residues pruned to eliminate duplicates Z: 34 23.661 2.014 0.691 0.607 0.848 0.636 CA 1.287 34 residues pruned to eliminate duplicates Z: 49 25.830 1.988 0.596 0.471 0.875 0.583 CA 1.383 49 residues pruned to eliminate duplicates Z: 49 28.117 2.027 0.718 0.527 0.854 0.542 CA 1.328 49 residues pruned to eliminate duplicates Z: 16 14.750 1.958 0.505 0.377 1.000 0.733 CA 1.474 16 residues pruned to eliminate duplicates Z: 6 3.660 1.693 0.228 0.412 0.800 0.800 CB 1.078 6 residues pruned to eliminate duplicates Z: 16 15.105 1.937 0.618 0.378 1.000 0.733 CB 1.418 16 residues pruned to eliminate duplicates Z: 7 6.236 1.821 0.132 0.483 1.000 1.000 CA 1.256 7 residues pruned to eliminate duplicates Z: 21 9.651 1.809 0.315 0.364 0.800 0.500 CB 1.312 24 residues pruned to eliminate duplicates Z: 6 4.064 1.692 0.141 0.431 1.000 0.400 CB 1.011 6 residues pruned to eliminate duplicates Z: 23 13.811 1.799 0.441 0.423 0.909 0.682 CB 1.354 23 residues pruned to eliminate duplicates Z: 26 12.409 1.768 0.471 0.386 0.880 0.640 CB 1.225 26 residues pruned to eliminate duplicates Z: 15 9.976 1.736 0.313 0.422 0.929 0.714 CB 1.366 15 residues pruned to eliminate duplicates Z: 11 10.969 1.853 0.457 0.391 0.900 0.600 N 1.601 11 residues pruned to eliminate duplicates Z: 23 13.935 1.797 0.409 0.466 0.955 0.773 CB 1.272 23 residues pruned to eliminate duplicates Z: 21 7.879 1.693 0.441 0.260 0.700 0.450 CB 1.359 21 residues pruned to eliminate duplicates Z: 14 9.458 1.783 0.476 0.321 0.923 0.538 CB 1.315 14 residues pruned to eliminate duplicates Z: 94 35.009 1.968 0.537 0.521 0.871 0.591 CB 1.350 94 residues pruned to eliminate duplicates Z: 11 9.326 1.828 0.251 0.759 0.800 0.600 CB 1.281 11 residues pruned to eliminate duplicates Z: 10 11.897 1.889 0.377 0.749 0.889 0.444 CB 1.374 10 residues pruned to eliminate duplicates Z: 13 10.959 1.737 0.420 0.741 0.917 0.583 CB 1.127 13 residues pruned to eliminate duplicates Z: 11 14.555 1.880 0.541 0.756 1.000 0.800 CB 1.266 11 residues pruned to eliminate duplicates Z: 11 13.074 1.886 0.469 0.755 0.900 0.700 CB 1.321 11 residues pruned to eliminate duplicates Z: 13 11.597 1.783 0.311 0.724 0.917 0.833 CB 1.277 13 residues pruned to eliminate duplicates Z: 12 17.056 1.847 0.747 0.744 1.000 0.818 CA 1.281 12 residues pruned to eliminate duplicates Z: 11 17.917 1.876 0.888 0.730 1.000 0.800 CA 1.301 11 residues pruned to eliminate duplicates Z: 12 15.461 1.841 0.798 0.655 1.000 0.727 CA 1.219 12 residues pruned to eliminate duplicates Z: 10 7.217 1.865 0.261 0.480 0.778 0.556 CB 1.342 Z: 6 4.785 1.551 0.532 0.430 1.000 0.600 CA 0.968 5 residues pruned to eliminate duplicates Z: 6 8.843 1.692 0.870 0.468 1.000 0.400 CA 1.291 6 residues pruned to eliminate duplicates Z: 21 14.610 1.789 0.663 0.482 0.850 0.650 CB 1.315 32 residues pruned to eliminate duplicates 1006 residues left after pruning, divided into chains as follows: A: 9 B: 8 C: 14 D: 9 E: 20 F: 224 G: 106 H: 15 I: 8 J: 7 K: 13 L: 134 M: 16 N: 211 O: 82 P: 93 Q: 22 R: 15 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 52.16 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.369, Connect. = 0.694 for dens.mod. cycle 1 = 0.300, Contrast = 0.435, Connect. = 0.731 for dens.mod. cycle 2 = 0.300, Contrast = 0.512, Connect. = 0.757 for dens.mod. cycle 3 = 0.300, Contrast = 0.521, Connect. = 0.760 for dens.mod. cycle 4 = 0.300, Contrast = 0.531, Connect. = 0.763 for dens.mod. cycle 5 = 0.300, Contrast = 0.534, Connect. = 0.764 for dens.mod. cycle 6 = 0.300, Contrast = 0.539, Connect. = 0.766 for dens.mod. cycle 7 = 0.300, Contrast = 0.541, Connect. = 0.767 for dens.mod. cycle 8 = 0.300, Contrast = 0.543, Connect. = 0.768 for dens.mod. cycle 9 = 0.300, Contrast = 0.544, Connect. = 0.768 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 5465 peaks > 0.5 sigma used to seed fragment search Space for about 1304 unique residues taking solvent into account 1304 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 30.088 2.111 0.942 0.865 1.000 0.462 CB 1.491 B: 14 18.157 2.004 0.218 0.916 1.000 0.769 CA 1.457 C: 14 30.167 2.198 1.042 0.890 0.923 0.538 CA 1.453 D: 14 26.263 2.100 0.693 0.900 0.923 0.615 CA 1.586 E: 15 29.351 2.129 0.884 0.846 0.929 0.429 CA 1.564 15 residues pruned to eliminate duplicates F: 13 23.740 2.135 0.557 0.910 1.000 0.833 CB 1.463 G: 15 23.545 1.997 0.653 0.863 1.000 0.429 CA 1.398 14 residues pruned to eliminate duplicates H: 13 19.176 2.113 0.443 0.887 0.917 0.917 CA 1.428 I: 13 28.308 2.110 0.889 0.915 1.000 0.583 CB 1.448 13 residues pruned to eliminate duplicates J: 18 22.322 1.920 0.664 0.840 0.941 0.647 CA 1.343 14 residues pruned to eliminate duplicates K: 17 11.964 1.902 0.181 0.822 0.875 0.688 CA 1.152 15 residues pruned to eliminate duplicates L: 15 27.245 2.097 0.909 0.866 0.929 0.643 CA 1.435 15 residues pruned to eliminate duplicates M: 13 24.927 2.148 0.574 0.933 1.000 0.667 CB 1.486 13 residues pruned to eliminate duplicates N: 14 20.180 2.039 0.517 0.825 0.923 0.846 CA 1.479 13 residues pruned to eliminate duplicates O: 14 16.577 1.996 0.159 0.871 0.923 0.769 CA 1.571 P: 12 28.868 2.108 1.116 0.873 1.000 0.455 CB 1.421 12 residues pruned to eliminate duplicates Q: 13 17.273 2.043 0.278 0.833 0.917 0.917 CA 1.563 13 residues pruned to eliminate duplicates R: 11 14.957 1.926 0.482 0.773 1.000 0.600 CA 1.302 11 residues pruned to eliminate duplicates S: 16 24.446 1.933 0.802 0.836 1.000 0.600 CA 1.356 16 residues pruned to eliminate duplicates T: 15 21.273 2.088 0.360 0.873 1.000 0.714 CA 1.458 15 residues pruned to eliminate duplicates U: 16 19.689 2.111 0.375 0.842 0.933 0.600 CA 1.400 V: 14 17.831 1.965 0.220 0.857 1.000 0.923 CA 1.521 14 residues pruned to eliminate duplicates W: 13 22.672 2.103 0.825 0.899 1.000 0.583 CB 1.219 X: 14 21.006 2.034 0.572 0.877 1.000 0.769 CA 1.323 Y: 13 22.597 2.158 0.567 0.880 0.917 0.750 CA 1.525 14 residues pruned to eliminate duplicates Z: 13 23.909 2.111 0.676 0.863 1.000 0.500 CB 1.432 12 residues pruned to eliminate duplicates Z: 13 30.487 2.231 0.885 0.905 1.000 0.667 CA 1.490 17 residues pruned to eliminate duplicates Z: 14 23.502 1.985 0.599 0.876 1.000 0.846 CA 1.492 14 residues pruned to eliminate duplicates Z: 14 21.732 1.991 0.672 0.895 1.000 0.462 CB 1.297 Z: 15 27.872 2.060 0.759 0.890 1.000 0.786 CA 1.479 14 residues pruned to eliminate duplicates Z: 13 19.387 2.096 0.312 0.887 1.000 0.917 CA 1.468 13 residues pruned to eliminate duplicates Z: 14 21.889 2.029 0.543 0.842 0.923 0.538 CA 1.566 14 residues pruned to eliminate duplicates Z: 12 23.769 2.226 0.393 0.914 1.000 0.818 CA 1.634 12 residues pruned to eliminate duplicates Z: 15 22.055 2.023 0.544 0.869 0.929 0.786 CA 1.484 15 residues pruned to eliminate duplicates Z: 15 22.783 2.086 0.753 0.852 0.857 0.357 CB 1.437 14 residues pruned to eliminate duplicates Z: 11 21.390 2.018 0.869 0.839 1.000 0.600 CB 1.340 11 residues pruned to eliminate duplicates Z: 14 17.825 2.025 0.283 0.834 0.923 0.692 CB 1.546 14 residues pruned to eliminate duplicates Z: 16 17.470 1.947 0.488 0.897 0.800 0.600 CA 1.394 16 residues pruned to eliminate duplicates Z: 11 15.428 1.770 0.655 0.903 1.000 0.800 CA 1.187 Z: 14 18.184 1.981 0.577 0.865 0.846 0.769 CB 1.398 Z: 16 21.234 1.776 0.844 0.819 1.000 0.800 CA 1.270 Z: 16 21.588 2.033 0.692 0.804 0.867 0.667 CA 1.434 15 residues pruned to eliminate duplicates Z: 11 13.361 1.799 0.585 0.836 0.900 0.800 CA 1.232 Z: 13 27.533 2.125 0.699 0.907 1.000 0.833 CB 1.564 13 residues pruned to eliminate duplicates Z: 15 33.082 2.240 0.907 0.906 1.000 0.643 CA 1.472 Z: 15 11.735 1.812 0.479 0.487 0.929 0.857 CB 1.277 Z: 14 20.216 2.048 0.435 0.859 1.000 0.846 CB 1.404 14 residues pruned to eliminate duplicates Z: 15 27.436 2.070 0.658 0.935 1.000 0.857 CA 1.489 16 residues pruned to eliminate duplicates Z: 14 28.184 2.096 0.863 0.868 1.000 0.692 CA 1.464 14 residues pruned to eliminate duplicates Z: 28 24.597 1.991 0.575 0.501 1.000 0.630 CA 1.509 16 residues pruned to eliminate duplicates Z: 13 20.488 2.110 0.630 0.885 0.833 0.583 CB 1.490 13 residues pruned to eliminate duplicates Z: 12 14.476 1.769 0.596 0.844 0.909 0.727 CA 1.266 12 residues pruned to eliminate duplicates Z: 13 20.714 2.153 0.372 0.844 1.000 0.833 CA 1.507 13 residues pruned to eliminate duplicates Z: 6 8.435 1.869 0.552 0.720 1.000 0.800 CB 1.066 Z: 11 12.859 1.959 0.521 0.739 0.900 0.600 CA 1.225 11 residues pruned to eliminate duplicates Z: 13 22.851 2.155 0.596 0.894 1.000 0.417 CB 1.376 14 residues pruned to eliminate duplicates Z: 16 24.580 2.156 0.478 0.867 1.000 0.533 CA 1.457 16 residues pruned to eliminate duplicates Z: 13 23.000 2.036 0.699 0.871 1.000 0.583 CB 1.400 14 residues pruned to eliminate duplicates Z: 15 14.018 1.741 0.551 0.732 0.929 0.571 CA 1.213 11 residues pruned to eliminate duplicates Z: 15 13.678 1.734 0.379 0.771 0.929 0.714 CA 1.296 15 residues pruned to eliminate duplicates Z: 15 28.746 2.196 0.910 0.897 0.929 0.500 CA 1.412 15 residues pruned to eliminate duplicates Z: 14 29.966 2.192 0.759 0.904 1.000 0.692 CA 1.534 16 residues pruned to eliminate duplicates Z: 49 30.964 2.030 0.741 0.590 0.854 0.479 CB 1.358 18 residues pruned to eliminate duplicates Z: 16 15.345 2.030 0.031 0.928 1.000 0.933 CA 1.326 Z: 13 16.825 2.089 0.153 0.823 0.917 0.833 CB 1.663 13 residues pruned to eliminate duplicates Z: 12 16.740 2.191 0.089 0.896 1.000 0.818 CA 1.515 12 residues pruned to eliminate duplicates Z: 13 22.406 2.126 0.430 0.932 1.000 0.833 CB 1.486 14 residues pruned to eliminate duplicates Z: 13 18.360 2.095 0.177 0.886 1.000 0.917 CA 1.551 13 residues pruned to eliminate duplicates Z: 19 9.674 1.781 0.396 0.436 0.778 0.556 CB 1.260 9 residues pruned to eliminate duplicates Z: 13 20.248 1.979 0.633 0.879 1.000 0.583 CB 1.312 13 residues pruned to eliminate duplicates Z: 33 21.335 1.954 0.553 0.534 0.906 0.469 CA 1.327 33 residues pruned to eliminate duplicates Z: 15 28.351 2.080 0.820 0.873 0.929 0.357 CB 1.570 15 residues pruned to eliminate duplicates Z: 43 27.949 2.038 0.746 0.543 0.810 0.429 CA 1.435 17 residues pruned to eliminate duplicates Z: 13 29.340 2.175 0.805 0.876 1.000 0.583 CA 1.568 13 residues pruned to eliminate duplicates Z: 20 11.947 1.769 0.617 0.531 0.842 0.684 CA 1.103 Z: 12 20.580 2.041 0.689 0.926 1.000 0.727 CB 1.262 12 residues pruned to eliminate duplicates Z: 24 17.896 2.055 0.622 0.453 0.826 0.478 CA 1.422 24 residues pruned to eliminate duplicates Z: 13 17.385 2.028 0.392 0.844 1.000 0.833 CA 1.323 13 residues pruned to eliminate duplicates Z: 31 20.666 1.955 0.641 0.487 0.933 0.733 CA 1.276 20 residues pruned to eliminate duplicates Z: 13 20.468 2.131 0.452 0.899 1.000 0.833 CB 1.365 13 residues pruned to eliminate duplicates Z: 11 18.908 2.208 0.212 0.902 1.000 1.000 CA 1.594 11 residues pruned to eliminate duplicates Z: 14 21.809 1.993 0.475 0.895 1.000 0.462 CB 1.475 13 residues pruned to eliminate duplicates Z: 23 10.336 1.694 0.454 0.432 0.818 0.455 CA 1.174 18 residues pruned to eliminate duplicates Z: 19 19.378 1.864 0.540 0.860 1.000 0.722 CA 1.170 19 residues pruned to eliminate duplicates Z: 13 20.775 2.162 0.422 0.864 1.000 0.833 CA 1.430 13 residues pruned to eliminate duplicates Z: 14 14.779 1.813 0.638 0.746 0.923 0.769 CA 1.200 14 residues pruned to eliminate duplicates Z: 11 13.345 1.830 0.395 0.912 1.000 0.900 CB 1.171 Z: 16 23.587 2.059 0.466 0.888 1.000 0.933 CA 1.454 16 residues pruned to eliminate duplicates Z: 14 17.759 1.924 0.520 0.730 1.000 0.538 CA 1.370 Z: 15 14.048 1.864 0.338 0.860 0.929 0.643 CA 1.193 13 residues pruned to eliminate duplicates Z: 21 20.942 2.059 0.714 0.665 0.900 0.600 CA 1.265 14 residues pruned to eliminate duplicates Z: 11 23.994 2.191 0.608 0.919 1.000 0.800 CB 1.518 11 residues pruned to eliminate duplicates Z: 8 11.553 1.901 0.676 0.858 0.857 0.714 CB 1.178 6 residues pruned to eliminate duplicates Z: 9 12.980 1.671 1.045 0.871 1.000 1.000 CB 0.980 9 residues pruned to eliminate duplicates Z: 15 27.216 2.044 0.901 0.849 1.000 0.357 CA 1.388 15 residues pruned to eliminate duplicates Z: 15 32.651 2.226 1.008 0.893 1.000 0.500 CA 1.401 15 residues pruned to eliminate duplicates Z: 12 14.924 1.880 0.501 0.882 0.909 0.727 CA 1.269 Z: 14 18.784 1.960 0.462 0.846 1.000 0.769 CA 1.350 14 residues pruned to eliminate duplicates Z: 13 26.443 2.159 0.607 0.938 1.000 0.833 CA 1.530 13 residues pruned to eliminate duplicates Z: 29 16.624 1.884 0.654 0.446 0.786 0.536 CA 1.357 20 residues pruned to eliminate duplicates Z: 16 25.241 2.158 0.653 0.902 1.000 0.867 CA 1.303 16 residues pruned to eliminate duplicates Z: 16 25.688 2.047 0.524 0.918 1.000 0.933 CA 1.499 16 residues pruned to eliminate duplicates Z: 14 15.782 1.981 0.398 0.829 0.923 0.769 CA 1.288 14 residues pruned to eliminate duplicates Z: 24 19.151 1.961 0.427 0.587 0.913 0.652 CB 1.438 24 residues pruned to eliminate duplicates Z: 13 20.415 2.108 0.462 0.898 1.000 0.833 CA 1.367 13 residues pruned to eliminate duplicates Z: 45 35.569 2.088 0.748 0.643 0.909 0.432 CA 1.415 47 residues pruned to eliminate duplicates Z: 11 19.789 2.092 0.894 0.881 0.900 0.500 CB 1.271 11 residues pruned to eliminate duplicates Z: 42 20.533 1.954 0.477 0.419 0.878 0.610 CB 1.377 31 residues pruned to eliminate duplicates Z: 12 15.766 1.910 0.506 0.877 1.000 0.727 CA 1.200 Z: 23 18.408 1.990 0.564 0.655 0.818 0.636 CB 1.334 23 residues pruned to eliminate duplicates Z: 14 21.544 1.931 0.888 0.775 1.000 0.615 CA 1.285 14 residues pruned to eliminate duplicates Z: 16 25.006 2.065 0.608 0.843 1.000 0.733 CA 1.448 16 residues pruned to eliminate duplicates Z: 15 23.173 1.975 0.691 0.882 0.929 0.571 CA 1.445 15 residues pruned to eliminate duplicates Z: 20 14.578 1.947 0.560 0.490 0.842 0.632 CA 1.321 Z: 16 24.106 1.923 0.628 0.898 1.000 0.733 CB 1.422 13 residues pruned to eliminate duplicates Z: 11 15.504 1.861 1.007 0.911 1.000 0.800 CA 0.931 6 residues pruned to eliminate duplicates Z: 10 18.049 2.055 0.636 0.909 1.000 0.778 CA 1.270 11 residues pruned to eliminate duplicates Z: 58 24.493 1.926 0.548 0.468 0.895 0.632 CA 1.256 54 residues pruned to eliminate duplicates Z: 13 20.812 2.128 0.566 0.903 0.917 0.667 CB 1.401 13 residues pruned to eliminate duplicates Z: 15 13.621 1.773 0.346 0.877 0.929 0.786 CA 1.192 15 residues pruned to eliminate duplicates Z: 101 40.597 1.988 0.546 0.528 0.900 0.550 CB 1.428 51 residues pruned to eliminate duplicates Z: 9 14.424 2.024 0.683 0.855 0.875 0.500 CA 1.262 8 residues pruned to eliminate duplicates Z: 32 22.485 2.014 0.761 0.513 0.871 0.484 CB 1.290 32 residues pruned to eliminate duplicates Z: 14 12.888 1.886 0.410 0.866 0.846 0.692 CB 1.163 14 residues pruned to eliminate duplicates Z: 14 26.341 2.126 0.725 0.892 0.923 0.692 CB 1.551 13 residues pruned to eliminate duplicates Z: 16 22.618 1.904 0.720 0.854 0.867 0.533 CA 1.519 16 residues pruned to eliminate duplicates Z: 12 10.038 1.704 0.277 0.902 0.909 0.727 CB 1.091 12 residues pruned to eliminate duplicates Z: 15 30.052 2.124 0.891 0.887 1.000 0.714 CA 1.441 15 residues pruned to eliminate duplicates Z: 14 14.410 1.984 0.285 0.827 0.923 0.615 CA 1.280 Z: 12 25.998 2.216 0.743 0.875 1.000 0.727 CA 1.476 12 residues pruned to eliminate duplicates Z: 54 29.784 1.980 0.557 0.613 0.906 0.660 CA 1.317 15 residues pruned to eliminate duplicates Z: 6 12.552 2.050 0.480 0.623 1.000 1.000 CA 1.648 Z: 30 26.711 2.031 0.527 0.612 0.966 0.655 CA 1.490 27 residues pruned to eliminate duplicates Z: 29 17.429 1.781 0.463 0.628 0.964 0.607 CB 1.163 29 residues pruned to eliminate duplicates Z: 15 25.760 2.091 0.779 0.894 0.929 0.714 CA 1.431 15 residues pruned to eliminate duplicates Z: 17 22.062 1.968 0.647 0.870 0.938 0.688 CA 1.325 17 residues pruned to eliminate duplicates Z: 15 15.353 1.802 0.465 0.759 1.000 0.643 CA 1.235 15 residues pruned to eliminate duplicates Z: 18 21.410 1.890 0.586 0.866 1.000 0.765 CA 1.268 16 residues pruned to eliminate duplicates Z: 13 24.436 2.155 0.785 0.927 0.833 0.500 CA 1.542 13 residues pruned to eliminate duplicates Z: 16 24.719 2.107 0.682 0.885 0.933 0.600 CA 1.393 16 residues pruned to eliminate duplicates Z: 13 16.027 1.774 0.915 0.807 0.833 0.667 CA 1.250 13 residues pruned to eliminate duplicates Z: 11 17.698 2.004 0.559 0.914 1.000 0.700 CA 1.267 11 residues pruned to eliminate duplicates Z: 21 12.714 1.811 0.452 0.487 0.900 0.550 CA 1.217 20 residues pruned to eliminate duplicates Z: 17 13.277 1.977 0.505 0.284 1.000 0.562 CB 1.423 Z: 20 12.270 1.803 0.649 0.586 0.737 0.474 CA 1.184 18 residues pruned to eliminate duplicates Z: 6 7.664 1.894 0.033 0.822 1.000 0.600 CA 1.325 6 residues pruned to eliminate duplicates Z: 8 8.410 1.762 0.455 0.876 1.000 1.000 CB 0.900 8 residues pruned to eliminate duplicates Z: 31 11.665 1.791 0.425 0.366 0.933 0.433 CB 1.033 31 residues pruned to eliminate duplicates Z: 15 18.090 1.859 0.545 0.772 1.000 0.643 CA 1.323 15 residues pruned to eliminate duplicates Z: 12 24.326 2.145 0.744 0.922 1.000 0.455 CB 1.378 12 residues pruned to eliminate duplicates Z: 14 12.561 1.880 0.424 0.490 0.846 0.769 CB 1.555 14 residues pruned to eliminate duplicates Z: 14 26.364 2.133 0.873 0.916 0.923 0.692 CA 1.400 14 residues pruned to eliminate duplicates Z: 8 5.422 1.897 -0.222 0.846 0.857 0.571 CB 1.203 Z: 9 12.235 1.901 0.615 0.897 1.000 0.875 CB 1.009 9 residues pruned to eliminate duplicates Z: 15 29.578 2.211 0.644 0.913 1.000 0.429 CA 1.539 15 residues pruned to eliminate duplicates Z: 63 35.621 2.054 0.513 0.571 0.952 0.758 CA 1.429 41 residues pruned to eliminate duplicates Z: 20 12.305 1.776 0.564 0.456 0.842 0.579 CB 1.262 29 residues pruned to eliminate duplicates Z: 11 14.565 1.828 0.336 0.910 1.000 0.900 CA 1.337 Z: 10 17.430 2.023 0.478 0.925 1.000 0.889 CA 1.364 10 residues pruned to eliminate duplicates Z: 15 24.310 1.989 0.823 0.856 0.929 0.714 CA 1.423 15 residues pruned to eliminate duplicates Z: 16 27.101 2.167 0.640 0.902 1.000 0.867 CA 1.404 16 residues pruned to eliminate duplicates Z: 13 15.969 1.964 0.826 0.777 1.000 0.667 CA 1.006 13 residues pruned to eliminate duplicates Z: 13 26.613 2.160 0.737 0.883 0.917 0.667 CA 1.615 13 residues pruned to eliminate duplicates Z: 12 16.306 2.066 0.602 0.781 1.000 0.727 CA 1.159 12 residues pruned to eliminate duplicates Z: 17 19.533 2.008 0.424 0.886 0.875 0.625 CA 1.409 16 residues pruned to eliminate duplicates Z: 8 8.336 1.712 0.518 0.645 0.857 0.429 CB 1.235 Z: 10 16.959 2.015 0.865 0.868 1.000 0.556 CB 1.100 14 residues pruned to eliminate duplicates Z: 16 16.842 2.109 0.138 0.869 0.933 0.933 CA 1.418 16 residues pruned to eliminate duplicates Z: 10 12.751 1.836 0.658 0.830 1.000 0.889 CB 1.050 10 residues pruned to eliminate duplicates Z: 14 15.514 1.887 0.809 0.878 0.846 0.615 CB 1.081 14 residues pruned to eliminate duplicates Z: 14 22.563 2.014 0.544 0.833 1.000 0.692 CA 1.509 14 residues pruned to eliminate duplicates Z: 16 21.864 2.036 0.537 0.902 0.933 0.533 CA 1.379 16 residues pruned to eliminate duplicates Z: 14 14.150 1.864 0.578 0.744 1.000 0.538 CA 1.072 14 residues pruned to eliminate duplicates Z: 15 26.436 2.010 0.839 0.894 0.929 0.571 CA 1.476 15 residues pruned to eliminate duplicates Z: 13 19.595 1.927 0.771 0.850 0.917 0.750 CA 1.339 12 residues pruned to eliminate duplicates Z: 97 40.758 1.996 0.504 0.534 0.948 0.604 CB 1.414 54 residues pruned to eliminate duplicates Z: 15 32.455 2.133 0.966 0.916 0.929 0.571 CA 1.573 17 residues pruned to eliminate duplicates Z: 11 21.921 1.966 0.823 0.916 1.000 0.500 CA 1.366 11 residues pruned to eliminate duplicates Z: 13 18.695 2.042 0.359 0.886 1.000 0.833 CA 1.403 13 residues pruned to eliminate duplicates Z: 14 24.650 2.078 0.660 0.854 1.000 0.615 CA 1.464 14 residues pruned to eliminate duplicates Z: 13 4.791 1.757 0.349 0.460 0.667 0.333 CB 0.912 5 residues pruned to eliminate duplicates Z: 15 15.877 2.035 0.375 0.842 1.000 0.786 CA 1.130 15 residues pruned to eliminate duplicates Z: 13 23.458 2.057 0.720 0.877 0.917 0.583 CB 1.517 13 residues pruned to eliminate duplicates Z: 12 8.786 1.984 0.653 0.281 0.818 0.455 CB 1.263 Z: 12 15.932 1.962 0.779 0.921 0.909 0.818 CA 1.065 12 residues pruned to eliminate duplicates Z: 14 8.665 1.811 0.546 0.363 0.846 0.385 CB 1.176 Z: 15 11.166 1.925 0.687 0.334 0.786 0.643 CB 1.403 15 residues pruned to eliminate duplicates Z: 10 13.427 1.969 0.614 0.885 0.889 0.778 CB 1.143 Z: 14 22.864 2.070 0.573 0.926 1.000 0.846 CB 1.366 14 residues pruned to eliminate duplicates Z: 17 27.993 1.956 0.832 0.921 1.000 0.688 CA 1.375 17 residues pruned to eliminate duplicates Z: 14 24.406 2.032 0.657 0.870 0.923 0.615 CA 1.590 14 residues pruned to eliminate duplicates Z: 22 7.853 1.776 0.390 0.325 0.810 0.476 CB 1.039 22 residues pruned to eliminate duplicates Z: 12 11.070 1.666 0.466 0.835 0.909 0.818 CA 1.126 11 residues pruned to eliminate duplicates Z: 14 19.347 2.020 0.627 0.841 0.846 0.538 CA 1.439 14 residues pruned to eliminate duplicates Z: 6 10.351 1.917 0.656 0.770 1.000 0.600 CA 1.148 Z: 42 27.154 2.027 0.388 0.624 0.927 0.634 CB 1.447 42 residues pruned to eliminate duplicates Z: 14 21.931 2.041 0.479 0.836 1.000 0.615 CA 1.509 14 residues pruned to eliminate duplicates Z: 14 20.038 1.930 0.554 0.899 1.000 0.769 CB 1.325 14 residues pruned to eliminate duplicates Z: 7 6.680 1.628 0.788 0.587 0.833 0.667 CB 1.034 Z: 14 14.791 1.896 0.450 0.877 0.923 0.769 CA 1.174 14 residues pruned to eliminate duplicates Z: 84 29.321 1.889 0.402 0.533 0.880 0.590 CA 1.338 84 residues pruned to eliminate duplicates Z: 8 11.662 1.939 0.675 0.767 0.857 0.571 CA 1.249 8 residues pruned to eliminate duplicates Z: 8 11.574 1.999 0.797 0.877 0.857 0.571 CB 1.032 8 residues pruned to eliminate duplicates Z: 10 12.018 1.861 0.956 0.845 0.889 0.778 CB 0.920 10 residues pruned to eliminate duplicates Z: 13 19.948 1.956 0.822 0.856 0.917 0.667 CA 1.300 13 residues pruned to eliminate duplicates Z: 37 22.540 2.008 0.446 0.519 0.917 0.556 CA 1.384 31 residues pruned to eliminate duplicates Z: 13 16.889 1.897 0.675 0.866 0.917 0.667 CA 1.225 13 residues pruned to eliminate duplicates Z: 7 10.022 1.974 0.572 0.808 1.000 1.000 CB 1.008 Z: 15 23.916 2.061 0.590 0.872 1.000 0.643 CA 1.422 15 residues pruned to eliminate duplicates Z: 12 10.338 1.948 0.140 0.862 0.909 0.818 CA 1.134 12 residues pruned to eliminate duplicates Z: 39 28.264 2.101 0.589 0.655 0.921 0.526 CA 1.291 39 residues pruned to eliminate duplicates Z: 9 10.982 1.887 0.623 0.620 0.875 0.375 CA 1.294 8 residues pruned to eliminate duplicates Z: 25 15.018 1.967 0.619 0.540 0.833 0.542 CB 1.110 20 residues pruned to eliminate duplicates Z: 9 7.148 1.724 0.307 0.867 1.000 0.500 CB 0.820 8 residues pruned to eliminate duplicates Z: 13 22.282 1.963 0.793 0.892 0.917 0.583 CA 1.432 13 residues pruned to eliminate duplicates Z: 11 20.252 1.862 0.856 0.883 1.000 0.500 CA 1.341 11 residues pruned to eliminate duplicates Z: 13 12.348 1.656 0.392 0.846 1.000 0.750 CB 1.148 Z: 31 18.523 1.955 0.472 0.479 0.867 0.633 CA 1.386 31 residues pruned to eliminate duplicates Z: 14 15.857 1.985 0.309 0.805 1.000 0.462 CB 1.297 14 residues pruned to eliminate duplicates Z: 6 6.991 1.747 0.480 0.636 0.800 0.800 CB 1.331 6 residues pruned to eliminate duplicates Z: 116 45.384 1.980 0.539 0.555 0.922 0.539 CB 1.429 116 residues pruned to eliminate duplicates Z: 14 12.398 1.778 0.431 0.852 1.000 0.769 CA 1.000 12 residues pruned to eliminate duplicates Z: 68 40.567 2.052 0.576 0.621 0.925 0.746 CB 1.477 68 residues pruned to eliminate duplicates Z: 21 15.437 1.936 0.474 0.580 0.900 0.600 CA 1.245 21 residues pruned to eliminate duplicates Z: 13 12.901 1.806 0.353 0.900 0.917 0.667 CA 1.188 11 residues pruned to eliminate duplicates Z: 33 20.550 1.868 0.470 0.611 0.969 0.625 CA 1.229 25 residues pruned to eliminate duplicates Z: 10 11.940 1.809 0.369 0.823 1.000 0.778 CA 1.215 10 residues pruned to eliminate duplicates Z: 15 10.870 1.778 0.297 0.861 0.857 0.714 CB 1.079 15 residues pruned to eliminate duplicates Z: 13 15.874 2.103 0.242 0.880 0.917 0.833 CB 1.386 12 residues pruned to eliminate duplicates Z: 14 16.886 1.904 0.615 0.716 1.000 0.462 CB 1.253 14 residues pruned to eliminate duplicates Z: 10 10.310 1.759 0.618 0.807 1.000 0.556 CA 0.924 10 residues pruned to eliminate duplicates Z: 12 22.407 2.004 0.653 0.875 1.000 0.727 CA 1.484 12 residues pruned to eliminate duplicates Z: 13 23.262 1.913 0.809 0.794 1.000 0.583 CB 1.499 13 residues pruned to eliminate duplicates Z: 17 12.230 2.049 0.306 0.645 0.938 0.812 CA 1.065 17 residues pruned to eliminate duplicates Z: 7 7.316 1.820 0.254 0.776 0.833 0.667 CA 1.231 7 residues pruned to eliminate duplicates Z: 13 19.805 2.083 0.534 0.871 0.917 0.583 CB 1.424 13 residues pruned to eliminate duplicates Z: 15 10.461 1.904 -0.140 0.837 0.929 0.786 CB 1.377 15 residues pruned to eliminate duplicates Z: 11 6.694 1.687 0.480 0.461 1.000 0.500 CB 0.882 Z: 28 27.857 2.061 0.724 0.602 0.963 0.630 CA 1.421 19 residues pruned to eliminate duplicates Z: 56 30.318 2.034 0.563 0.547 0.855 0.527 CB 1.437 56 residues pruned to eliminate duplicates Z: 7 5.315 1.895 -0.004 0.806 1.000 0.500 CB 0.880 7 residues pruned to eliminate duplicates Z: 17 20.946 2.010 0.501 0.877 0.938 0.875 CA 1.345 17 residues pruned to eliminate duplicates Z: 6 5.319 1.905 0.276 0.754 0.600 0.400 CA 1.301 6 residues pruned to eliminate duplicates Z: 12 19.285 1.987 0.398 0.888 1.000 0.455 CB 1.509 12 residues pruned to eliminate duplicates Z: 7 3.298 1.816 0.235 0.291 0.667 0.667 CB 1.138 7 residues pruned to eliminate duplicates Z: 14 18.839 2.042 0.613 0.824 0.846 0.538 CA 1.416 14 residues pruned to eliminate duplicates Z: 16 12.529 1.876 0.276 0.864 0.933 0.667 CA 1.061 16 residues pruned to eliminate duplicates Z: 57 32.296 2.080 0.595 0.542 0.839 0.625 CB 1.487 57 residues pruned to eliminate duplicates Z: 8 5.797 1.681 0.664 0.551 0.714 0.429 CB 1.043 Z: 9 12.290 1.630 0.608 0.887 1.000 1.000 CA 1.195 Z: 36 20.850 1.991 0.458 0.441 0.914 0.543 CA 1.411 36 residues pruned to eliminate duplicates Z: 17 13.037 1.896 0.682 0.316 0.938 0.750 CB 1.335 17 residues pruned to eliminate duplicates Z: 6 5.542 1.777 0.338 0.717 1.000 0.800 CA 0.856 6 residues pruned to eliminate duplicates Z: 25 12.429 1.892 0.486 0.378 0.875 0.625 CB 1.175 19 residues pruned to eliminate duplicates Z: 48 27.106 1.907 0.724 0.571 0.830 0.511 CA 1.354 95 residues pruned to eliminate duplicates Z: 14 23.035 1.897 0.749 0.818 1.000 0.615 CA 1.462 14 residues pruned to eliminate duplicates Z: 13 19.827 2.048 0.468 0.884 0.917 0.417 CB 1.501 13 residues pruned to eliminate duplicates Z: 9 18.568 2.127 0.901 0.925 1.000 1.000 CB 1.140 9 residues pruned to eliminate duplicates Z: 29 20.120 1.897 0.815 0.422 0.857 0.571 CB 1.398 15 residues pruned to eliminate duplicates Z: 15 23.175 2.064 0.530 0.864 1.000 0.714 CA 1.438 Z: 12 22.321 2.126 0.593 0.898 1.000 0.818 CB 1.421 12 residues pruned to eliminate duplicates Z: 22 24.260 2.034 0.509 0.682 1.000 0.762 CA 1.460 22 residues pruned to eliminate duplicates Z: 22 11.291 1.883 0.620 0.308 0.810 0.524 CB 1.234 25 residues pruned to eliminate duplicates Z: 6 7.722 1.916 0.166 0.739 1.000 0.800 CB 1.248 6 residues pruned to eliminate duplicates Z: 26 21.485 1.860 0.664 0.594 0.960 0.640 CA 1.322 13 residues pruned to eliminate duplicates Z: 16 26.740 2.155 0.825 0.882 1.000 0.467 CA 1.270 16 residues pruned to eliminate duplicates Z: 37 20.347 1.917 0.460 0.448 0.917 0.500 CA 1.394 52 residues pruned to eliminate duplicates Z: 13 17.757 1.980 0.731 0.829 1.000 0.583 CB 1.125 13 residues pruned to eliminate duplicates Z: 10 19.664 1.916 0.797 0.907 1.000 0.556 CA 1.353 10 residues pruned to eliminate duplicates Z: 10 21.585 1.942 0.909 0.900 0.889 0.333 CA 1.560 10 residues pruned to eliminate duplicates Z: 12 27.709 2.217 0.860 0.925 0.909 0.727 CB 1.563 12 residues pruned to eliminate duplicates Z: 33 23.355 1.970 0.531 0.604 0.969 0.688 CA 1.280 33 residues pruned to eliminate duplicates Z: 8 5.330 1.641 0.766 0.513 0.714 0.571 N 0.961 Z: 68 37.913 2.033 0.788 0.442 0.940 0.582 CA 1.438 71 residues pruned to eliminate duplicates Z: 20 18.739 2.031 0.845 0.640 0.842 0.632 CA 1.195 20 residues pruned to eliminate duplicates Z: 7 7.388 1.918 0.189 0.870 0.833 0.667 CB 1.159 Z: 8 3.448 1.679 0.117 0.475 0.714 0.429 CB 0.997 Z: 12 15.647 1.877 0.502 0.882 0.909 0.636 CA 1.332 12 residues pruned to eliminate duplicates Z: 11 9.654 1.707 0.749 0.829 0.900 0.700 CB 0.855 11 residues pruned to eliminate duplicates Z: 16 8.104 1.731 0.663 0.325 0.867 0.400 CB 1.016 15 residues pruned to eliminate duplicates Z: 22 13.049 1.741 0.728 0.440 0.810 0.333 CA 1.243 22 residues pruned to eliminate duplicates Z: 23 17.383 1.927 0.734 0.502 0.909 0.909 CA 1.218 23 residues pruned to eliminate duplicates Z: 16 33.285 2.174 0.982 0.920 1.000 0.733 CA 1.405 16 residues pruned to eliminate duplicates Z: 17 18.248 1.991 0.209 0.905 0.938 0.500 CA 1.439 17 residues pruned to eliminate duplicates Z: 10 21.030 1.967 0.733 0.923 1.000 0.667 CA 1.445 10 residues pruned to eliminate duplicates Z: 16 22.510 2.040 0.372 0.899 1.000 0.867 CA 1.484 16 residues pruned to eliminate duplicates Z: 6 5.979 1.562 0.354 0.823 0.800 0.800 CA 1.195 6 residues pruned to eliminate duplicates Z: 16 28.682 2.177 0.897 0.913 1.000 0.667 CA 1.270 16 residues pruned to eliminate duplicates Z: 13 20.426 1.971 0.920 0.789 0.917 0.583 CA 1.319 13 residues pruned to eliminate duplicates Z: 24 21.722 2.024 0.641 0.567 0.913 0.522 CB 1.399 24 residues pruned to eliminate duplicates Z: 7 9.482 1.934 0.271 0.603 1.000 0.833 N 1.427 7 residues pruned to eliminate duplicates Z: 76 37.998 2.015 0.536 0.575 0.933 0.653 CB 1.414 76 residues pruned to eliminate duplicates Z: 9 10.158 1.724 0.301 0.889 1.000 1.000 CA 1.153 9 residues pruned to eliminate duplicates Z: 12 26.152 2.006 0.866 0.903 1.000 0.545 CA 1.502 12 residues pruned to eliminate duplicates Z: 13 29.096 2.184 0.771 0.928 1.000 0.917 CB 1.520 13 residues pruned to eliminate duplicates Z: 10 7.306 1.820 0.357 0.450 0.889 0.444 CB 1.168 Z: 7 6.205 1.693 0.412 0.678 0.833 0.500 CA 1.080 7 residues pruned to eliminate duplicates Z: 8 9.221 1.836 0.748 0.830 0.714 0.714 CA 1.143 Z: 11 6.418 1.674 0.738 0.441 0.700 0.500 CA 1.059 Z: 15 20.699 1.842 0.694 0.781 1.000 0.429 CA 1.384 15 residues pruned to eliminate duplicates Z: 6 5.415 1.575 0.302 0.848 1.000 0.800 CB 0.876 Z: 10 5.243 1.595 -0.123 0.528 1.000 0.556 CA 1.215 Z: 28 15.582 1.768 0.521 0.586 0.815 0.556 CA 1.260 28 residues pruned to eliminate duplicates Z: 13 27.928 2.142 0.706 0.871 1.000 0.583 CA 1.609 13 residues pruned to eliminate duplicates Z: 16 18.359 2.035 0.305 0.887 1.000 0.867 CA 1.288 16 residues pruned to eliminate duplicates Z: 6 7.320 1.828 0.226 0.848 1.000 0.800 CA 1.083 6 residues pruned to eliminate duplicates Z: 66 45.308 2.053 0.669 0.639 0.969 0.646 CB 1.485 66 residues pruned to eliminate duplicates Z: 47 30.602 2.012 0.767 0.601 0.870 0.543 CB 1.325 44 residues pruned to eliminate duplicates Z: 13 8.609 1.838 -0.087 0.843 0.917 0.833 CA 1.202 13 residues pruned to eliminate duplicates Z: 40 23.363 1.955 0.608 0.462 0.949 0.538 CB 1.304 40 residues pruned to eliminate duplicates Z: 17 23.255 1.990 0.577 0.870 1.000 0.562 CA 1.353 17 residues pruned to eliminate duplicates Z: 11 6.818 1.692 0.443 0.886 0.700 0.300 CB 0.910 Z: 11 13.249 1.878 0.988 0.412 1.000 0.400 CB 1.230 11 residues pruned to eliminate duplicates Z: 12 17.098 2.073 0.260 0.896 1.000 0.818 CB 1.413 12 residues pruned to eliminate duplicates Z: 11 17.736 1.877 0.827 0.897 1.000 0.700 CA 1.171 11 residues pruned to eliminate duplicates Z: 13 20.388 1.915 0.688 0.775 1.000 0.667 CA 1.428 13 residues pruned to eliminate duplicates Z: 17 8.142 1.536 0.757 0.313 1.000 0.500 CB 0.928 Z: 10 23.334 1.988 0.941 0.921 1.000 0.667 CA 1.418 10 residues pruned to eliminate duplicates Z: 7 8.633 1.705 0.457 0.857 1.000 0.500 CA 1.045 7 residues pruned to eliminate duplicates Z: 13 13.634 1.903 0.731 0.807 0.750 0.417 CB 1.219 13 residues pruned to eliminate duplicates Z: 11 20.787 1.972 0.819 0.926 1.000 0.300 CA 1.285 11 residues pruned to eliminate duplicates Z: 12 19.862 1.716 0.967 0.883 1.000 0.727 CB 1.283 12 residues pruned to eliminate duplicates Z: 12 21.785 2.097 0.679 0.888 1.000 0.636 CB 1.344 12 residues pruned to eliminate duplicates Z: 12 15.044 1.919 0.547 0.837 1.000 0.727 CA 1.143 12 residues pruned to eliminate duplicates Z: 26 22.538 2.005 0.371 0.617 1.000 0.760 CB 1.469 26 residues pruned to eliminate duplicates Z: 58 27.029 1.937 0.538 0.529 0.860 0.491 CA 1.358 15 residues pruned to eliminate duplicates Z: 15 21.402 2.203 0.298 0.874 1.000 0.714 CA 1.455 15 residues pruned to eliminate duplicates Z: 62 36.391 2.027 0.803 0.458 0.918 0.574 CA 1.450 62 residues pruned to eliminate duplicates Z: 107 36.881 1.950 0.567 0.500 0.906 0.566 CA 1.294 105 residues pruned to eliminate duplicates Z: 38 28.506 1.994 0.800 0.604 0.892 0.622 CA 1.326 37 residues pruned to eliminate duplicates Z: 51 31.708 2.033 0.714 0.540 0.920 0.600 CA 1.344 51 residues pruned to eliminate duplicates Z: 13 17.079 1.845 0.896 0.785 0.917 0.583 CB 1.196 13 residues pruned to eliminate duplicates Z: 6 8.892 1.981 0.248 0.860 1.000 1.000 CA 1.183 6 residues pruned to eliminate duplicates Z: 14 20.840 1.782 0.796 0.880 1.000 0.769 CB 1.309 14 residues pruned to eliminate duplicates Z: 14 22.150 1.947 0.924 0.917 0.923 0.692 CA 1.254 14 residues pruned to eliminate duplicates Z: 14 15.723 1.712 0.604 0.807 1.000 0.692 CA 1.215 14 residues pruned to eliminate duplicates Z: 13 20.803 2.085 0.422 0.934 1.000 0.833 CA 1.413 13 residues pruned to eliminate duplicates Z: 13 26.785 2.088 0.927 0.897 0.833 0.667 CA 1.651 13 residues pruned to eliminate duplicates Z: 55 31.165 2.008 0.612 0.552 0.889 0.481 CB 1.401 55 residues pruned to eliminate duplicates Z: 7 8.102 1.880 0.352 0.753 1.000 0.500 CB 1.038 7 residues pruned to eliminate duplicates Z: 11 15.399 1.843 0.882 0.869 0.900 0.800 CB 1.140 11 residues pruned to eliminate duplicates Z: 13 18.559 1.909 0.707 0.815 0.917 0.333 CB 1.364 13 residues pruned to eliminate duplicates Z: 13 18.713 1.966 0.596 0.789 1.000 0.833 CA 1.335 13 residues pruned to eliminate duplicates Z: 41 21.473 1.887 0.526 0.503 0.850 0.475 CA 1.383 41 residues pruned to eliminate duplicates Z: 12 10.139 1.634 0.902 0.455 0.818 0.545 CB 1.260 Z: 7 3.465 1.749 0.465 0.406 0.667 0.500 CB 0.915 Z: 7 2.799 1.493 0.217 0.267 0.833 0.333 C 0.984 Z: 7 7.053 1.861 0.378 0.742 0.833 0.833 CA 1.085 10 residues pruned to eliminate duplicates Z: 13 5.694 1.578 0.504 0.306 0.750 0.500 CB 1.146 20 residues pruned to eliminate duplicates Z: 12 22.293 2.113 0.585 0.860 1.000 0.545 CA 1.476 12 residues pruned to eliminate duplicates Z: 16 12.184 1.567 1.043 0.495 0.933 0.533 CB 1.058 17 residues pruned to eliminate duplicates Z: 24 17.707 2.004 0.686 0.561 0.870 0.609 CB 1.185 25 residues pruned to eliminate duplicates Z: 13 24.843 1.994 0.658 0.885 1.000 0.750 CB 1.567 13 residues pruned to eliminate duplicates Z: 12 16.370 1.835 0.910 0.924 1.000 0.909 CB 0.989 12 residues pruned to eliminate duplicates Z: 7 7.159 1.955 0.039 0.835 1.000 0.667 CB 1.077 Z: 14 20.630 1.781 0.816 0.911 1.000 0.769 CA 1.254 14 residues pruned to eliminate duplicates Z: 9 12.951 1.769 0.628 0.838 1.000 0.875 CA 1.188 9 residues pruned to eliminate duplicates Z: 34 18.874 2.022 0.469 0.536 0.879 0.667 CB 1.215 30 residues pruned to eliminate duplicates Z: 13 18.795 1.983 0.504 0.769 0.917 0.417 CA 1.564 13 residues pruned to eliminate duplicates Z: 15 14.063 1.667 0.764 0.681 0.857 0.357 CA 1.263 15 residues pruned to eliminate duplicates Z: 10 20.135 2.017 0.956 0.905 0.889 0.222 CA 1.363 10 residues pruned to eliminate duplicates Z: 30 22.996 1.961 0.729 0.552 0.966 0.552 CA 1.240 30 residues pruned to eliminate duplicates Z: 11 15.752 2.005 0.455 0.901 1.000 0.800 CA 1.219 11 residues pruned to eliminate duplicates Z: 6 6.208 1.867 0.140 0.863 0.800 0.400 CA 1.196 6 residues pruned to eliminate duplicates Z: 43 30.613 1.986 0.874 0.573 0.857 0.524 CA 1.379 43 residues pruned to eliminate duplicates Z: 67 35.667 2.058 0.472 0.617 0.924 0.652 CB 1.405 65 residues pruned to eliminate duplicates Z: 16 27.118 2.189 0.791 0.884 0.867 0.400 CA 1.488 16 residues pruned to eliminate duplicates Z: 15 22.059 1.943 0.832 0.889 1.000 0.786 CA 1.193 15 residues pruned to eliminate duplicates Z: 25 23.146 2.064 0.485 0.630 0.958 0.750 CB 1.424 25 residues pruned to eliminate duplicates Z: 14 17.149 2.022 0.417 0.819 1.000 0.615 CA 1.258 14 residues pruned to eliminate duplicates Z: 14 15.015 1.934 0.143 0.864 0.923 0.769 CA 1.497 14 residues pruned to eliminate duplicates Z: 12 11.128 1.842 0.788 0.364 0.909 0.727 CB 1.297 12 residues pruned to eliminate duplicates Z: 61 41.771 2.077 0.546 0.642 0.983 0.733 CA 1.497 61 residues pruned to eliminate duplicates Z: 67 41.521 2.042 0.598 0.621 0.955 0.667 CB 1.464 67 residues pruned to eliminate duplicates Z: 29 20.378 1.971 0.471 0.595 0.893 0.607 CB 1.359 29 residues pruned to eliminate duplicates Z: 14 14.187 1.960 0.688 0.496 0.923 0.692 CA 1.293 14 residues pruned to eliminate duplicates Z: 8 11.148 1.729 0.696 0.802 1.000 0.429 CA 1.104 8 residues pruned to eliminate duplicates Z: 24 13.326 1.967 0.671 0.569 0.826 0.435 CB 0.957 24 residues pruned to eliminate duplicates Z: 7 5.180 1.795 -0.180 0.830 0.833 0.333 CA 1.295 7 residues pruned to eliminate duplicates Z: 12 15.831 1.852 0.286 0.905 1.000 0.727 CA 1.426 12 residues pruned to eliminate duplicates Z: 12 21.942 1.876 0.690 0.907 1.000 0.636 CA 1.483 12 residues pruned to eliminate duplicates Z: 7 5.847 1.669 0.017 0.797 1.000 0.667 CA 1.084 7 residues pruned to eliminate duplicates Z: 15 15.875 1.869 0.965 0.454 0.929 0.643 CB 1.303 15 residues pruned to eliminate duplicates Z: 28 18.494 1.931 0.516 0.579 0.852 0.593 CA 1.323 28 residues pruned to eliminate duplicates Z: 8 4.804 1.418 0.848 0.357 0.857 0.571 CB 0.943 Z: 11 8.065 1.903 0.592 0.476 0.800 0.600 CA 1.079 11 residues pruned to eliminate duplicates Z: 30 21.969 2.024 0.661 0.489 0.897 0.552 CB 1.368 30 residues pruned to eliminate duplicates Z: 63 32.046 2.053 0.524 0.520 0.887 0.597 CB 1.437 63 residues pruned to eliminate duplicates Z: 27 19.315 1.969 0.457 0.504 0.923 0.538 CB 1.425 27 residues pruned to eliminate duplicates Z: 6 9.514 1.869 0.435 0.797 1.000 0.800 CA 1.224 6 residues pruned to eliminate duplicates Z: 10 6.412 1.691 0.256 0.679 0.667 0.444 CB 1.280 10 residues pruned to eliminate duplicates Z: 17 22.297 2.116 0.741 0.841 0.812 0.500 CA 1.388 17 residues pruned to eliminate duplicates Z: 14 18.227 1.843 0.702 0.859 0.923 0.462 CA 1.285 14 residues pruned to eliminate duplicates Z: 7 7.558 1.626 0.188 0.729 1.000 0.833 CA 1.300 7 residues pruned to eliminate duplicates Z: 11 20.585 1.956 0.688 0.897 1.000 0.600 CA 1.411 11 residues pruned to eliminate duplicates Z: 12 6.707 1.745 0.354 0.361 0.909 0.545 CB 1.094 12 residues pruned to eliminate duplicates Z: 10 3.728 1.392 -0.114 0.571 1.000 0.556 CB 0.941 10 residues pruned to eliminate duplicates Z: 6 7.063 1.833 0.544 0.656 0.800 0.600 CB 1.207 6 residues pruned to eliminate duplicates Z: 103 33.030 1.895 0.655 0.499 0.833 0.588 CB 1.252 109 residues pruned to eliminate duplicates Z: 13 17.542 2.069 0.188 0.880 1.000 0.917 CA 1.493 13 residues pruned to eliminate duplicates Z: 8 11.067 1.857 0.268 0.856 1.000 0.857 CB 1.310 Z: 23 9.794 1.725 0.487 0.241 0.864 0.318 CB 1.272 23 residues pruned to eliminate duplicates Z: 9 8.289 1.817 1.048 0.593 0.750 0.500 CB 0.961 9 residues pruned to eliminate duplicates Z: 18 19.526 1.940 0.645 0.812 0.882 0.353 CB 1.281 19 residues pruned to eliminate duplicates Z: 9 5.057 1.790 -0.036 0.511 0.750 0.625 C 1.366 Z: 10 9.815 1.805 0.490 0.820 0.778 0.444 CB 1.185 10 residues pruned to eliminate duplicates Z: 15 26.541 2.092 0.643 0.882 1.000 0.714 CA 1.493 17 residues pruned to eliminate duplicates Z: 17 12.344 1.945 0.506 0.362 0.938 0.625 CB 1.304 Z: 6 4.273 1.701 -0.239 0.610 1.000 0.800 CB 1.329 6 residues pruned to eliminate duplicates Z: 9 7.478 1.825 0.544 0.487 1.000 0.750 CB 0.951 10 residues pruned to eliminate duplicates Z: 11 18.399 1.852 0.746 0.889 1.000 1.000 CA 1.295 11 residues pruned to eliminate duplicates Z: 14 10.175 1.911 0.388 0.673 0.769 0.538 CA 1.178 14 residues pruned to eliminate duplicates Z: 16 27.196 2.111 0.562 0.886 1.000 0.667 CA 1.537 16 residues pruned to eliminate duplicates Z: 15 27.806 2.085 1.103 0.868 0.929 0.429 CA 1.334 15 residues pruned to eliminate duplicates Z: 31 21.356 1.979 0.572 0.612 0.900 0.600 CA 1.252 31 residues pruned to eliminate duplicates Z: 12 23.345 1.965 0.964 0.921 1.000 0.818 CB 1.283 12 residues pruned to eliminate duplicates Z: 10 16.206 1.958 0.794 0.893 0.889 0.778 CB 1.242 10 residues pruned to eliminate duplicates Z: 11 18.337 1.934 0.517 0.921 1.000 0.600 CA 1.391 11 residues pruned to eliminate duplicates Z: 11 12.640 1.804 0.418 0.896 1.000 0.800 CB 1.120 11 residues pruned to eliminate duplicates Z: 11 15.183 1.923 0.465 0.895 1.000 0.500 CB 1.222 11 residues pruned to eliminate duplicates Z: 8 4.041 1.741 0.864 0.366 0.714 0.429 CB 0.760 Z: 12 15.269 1.735 0.436 0.874 1.000 1.000 CA 1.346 11 residues pruned to eliminate duplicates Z: 7 7.418 1.919 0.359 0.724 1.000 0.667 CB 0.948 7 residues pruned to eliminate duplicates Z: 13 14.925 1.846 0.308 0.904 1.000 0.833 CA 1.271 13 residues pruned to eliminate duplicates Z: 6 7.614 1.828 0.244 0.757 1.000 0.800 CA 1.192 6 residues pruned to eliminate duplicates Z: 8 11.848 1.845 0.569 0.705 1.000 0.714 CA 1.284 8 residues pruned to eliminate duplicates Z: 12 20.234 1.886 0.630 0.883 1.000 0.455 CA 1.435 12 residues pruned to eliminate duplicates Z: 12 19.549 2.051 0.788 0.857 0.818 0.818 CA 1.448 12 residues pruned to eliminate duplicates Z: 13 13.814 1.954 0.540 0.860 0.917 0.417 CB 1.063 13 residues pruned to eliminate duplicates Z: 13 22.235 1.959 0.858 0.803 1.000 0.500 CA 1.353 13 residues pruned to eliminate duplicates Z: 15 16.473 1.827 0.610 0.703 1.000 0.571 CA 1.243 15 residues pruned to eliminate duplicates Z: 14 15.717 1.721 0.923 0.771 1.000 0.615 CA 1.037 14 residues pruned to eliminate duplicates Z: 19 14.058 1.902 0.544 0.698 0.889 0.611 CB 1.060 19 residues pruned to eliminate duplicates Z: 14 18.937 1.986 0.576 0.768 0.923 0.615 CA 1.433 14 residues pruned to eliminate duplicates Z: 73 37.159 2.022 0.465 0.578 0.931 0.653 CA 1.473 73 residues pruned to eliminate duplicates Z: 14 10.527 1.776 0.153 0.914 1.000 0.769 CA 1.008 14 residues pruned to eliminate duplicates Z: 8 11.111 1.721 0.483 0.868 1.000 1.000 CA 1.203 8 residues pruned to eliminate duplicates Z: 51 30.541 2.049 0.568 0.529 0.920 0.600 CA 1.420 51 residues pruned to eliminate duplicates Z: 15 17.677 1.746 0.784 0.785 1.000 0.786 CA 1.181 15 residues pruned to eliminate duplicates Z: 14 20.705 2.036 0.735 0.875 1.000 0.615 CB 1.183 14 residues pruned to eliminate duplicates Z: 14 16.215 1.693 0.717 0.916 1.000 0.692 CA 1.093 14 residues pruned to eliminate duplicates Z: 14 20.884 2.019 0.824 0.908 0.923 0.692 CB 1.210 14 residues pruned to eliminate duplicates Z: 6 15.201 1.897 1.442 0.816 1.000 0.600 CB 1.114 7 residues pruned to eliminate duplicates Z: 10 6.716 1.498 0.591 0.481 0.889 0.556 CB 1.077 10 residues pruned to eliminate duplicates Z: 6 7.303 1.646 0.919 0.589 1.000 1.000 CB 0.950 7 residues pruned to eliminate duplicates Z: 9 6.283 1.651 0.359 0.778 1.000 0.750 CA 0.774 9 residues pruned to eliminate duplicates Z: 7 6.827 1.953 0.104 0.604 1.000 0.833 CB 1.171 7 residues pruned to eliminate duplicates Z: 12 19.586 1.989 0.708 0.890 1.000 0.818 CA 1.250 12 residues pruned to eliminate duplicates Z: 24 16.463 1.756 0.422 0.549 0.913 0.478 CA 1.435 24 residues pruned to eliminate duplicates Z: 11 12.638 1.683 0.689 0.863 1.000 0.800 CB 1.032 11 residues pruned to eliminate duplicates Z: 67 40.881 2.032 0.576 0.611 0.985 0.621 CA 1.436 66 residues pruned to eliminate duplicates Z: 14 21.203 1.964 0.584 0.832 0.923 0.538 CB 1.538 14 residues pruned to eliminate duplicates Z: 17 18.561 1.950 0.324 0.849 1.000 0.688 CA 1.333 17 residues pruned to eliminate duplicates Z: 8 7.334 1.783 0.140 0.893 1.000 0.714 CB 0.979 7 residues pruned to eliminate duplicates Z: 14 20.463 1.994 0.501 0.837 0.923 0.308 CB 1.537 14 residues pruned to eliminate duplicates Z: 7 9.935 1.813 0.399 0.815 1.000 0.667 CA 1.216 7 residues pruned to eliminate duplicates Z: 14 16.129 1.850 0.690 0.754 0.923 0.462 CA 1.236 14 residues pruned to eliminate duplicates Z: 13 14.682 1.857 0.528 0.861 0.917 0.583 CA 1.197 13 residues pruned to eliminate duplicates Z: 11 5.806 1.610 0.615 0.320 0.800 0.600 CB 1.076 11 residues pruned to eliminate duplicates Z: 14 11.333 1.592 0.464 0.833 1.000 0.769 CA 1.012 14 residues pruned to eliminate duplicates Z: 14 33.255 2.109 1.254 0.879 0.923 0.154 CB 1.524 14 residues pruned to eliminate duplicates Z: 10 7.596 1.701 0.742 0.335 0.778 0.444 CB 1.316 8 residues pruned to eliminate duplicates Z: 12 13.950 1.673 0.562 0.886 1.000 0.636 CA 1.161 12 residues pruned to eliminate duplicates Z: 16 12.486 1.663 0.854 0.858 0.867 0.600 CB 0.889 16 residues pruned to eliminate duplicates Z: 29 29.997 2.089 0.633 0.636 0.964 0.643 CA 1.516 29 residues pruned to eliminate duplicates Z: 8 3.490 1.597 0.451 0.352 0.714 0.429 CB 0.936 Z: 47 26.485 1.975 0.571 0.482 0.957 0.500 CB 1.341 45 residues pruned to eliminate duplicates Z: 13 18.672 1.792 0.881 0.801 1.000 0.833 CA 1.229 13 residues pruned to eliminate duplicates Z: 8 4.859 1.554 0.031 0.650 0.857 0.714 O 1.162 Z: 19 16.640 1.828 0.506 0.798 0.833 0.611 CA 1.317 19 residues pruned to eliminate duplicates Z: 27 19.435 1.828 0.603 0.575 0.885 0.654 CA 1.368 27 residues pruned to eliminate duplicates Z: 22 24.190 1.967 0.696 0.711 1.000 0.619 CA 1.306 22 residues pruned to eliminate duplicates Z: 32 30.424 2.018 0.928 0.566 0.935 0.613 CA 1.408 32 residues pruned to eliminate duplicates Z: 26 20.213 1.855 0.400 0.609 1.000 0.640 CB 1.402 26 residues pruned to eliminate duplicates Z: 48 28.798 2.052 0.656 0.486 0.894 0.574 CB 1.403 48 residues pruned to eliminate duplicates Z: 32 18.185 1.903 0.410 0.573 0.935 0.677 CB 1.212 32 residues pruned to eliminate duplicates Z: 52 28.166 1.915 0.685 0.529 0.902 0.549 CA 1.317 69 residues pruned to eliminate duplicates Z: 19 5.182 1.641 0.490 0.230 0.667 0.222 CB 1.026 19 residues pruned to eliminate duplicates Z: 18 20.276 1.986 0.393 0.856 0.941 0.471 CA 1.392 18 residues pruned to eliminate duplicates Z: 29 17.524 1.863 0.465 0.502 0.929 0.571 CA 1.304 29 residues pruned to eliminate duplicates Z: 27 18.041 1.825 0.651 0.533 0.846 0.538 CA 1.344 27 residues pruned to eliminate duplicates Z: 11 11.341 1.768 0.896 0.441 1.000 0.900 CB 1.136 11 residues pruned to eliminate duplicates Z: 19 8.530 1.716 0.245 0.402 0.889 0.611 CB 1.174 19 residues pruned to eliminate duplicates Z: 10 4.245 1.597 0.435 0.225 0.667 0.333 N 1.278 10 residues pruned to eliminate duplicates Z: 28 13.243 1.853 0.457 0.382 0.852 0.556 CA 1.257 28 residues pruned to eliminate duplicates Z: 12 20.436 1.878 0.595 0.928 1.000 0.818 CA 1.440 12 residues pruned to eliminate duplicates Z: 13 16.576 1.823 0.477 0.888 1.000 0.667 CA 1.280 13 residues pruned to eliminate duplicates Z: 13 19.306 2.039 0.685 0.839 1.000 0.667 CB 1.212 13 residues pruned to eliminate duplicates Z: 18 22.501 1.945 0.524 0.909 1.000 0.765 CA 1.306 18 residues pruned to eliminate duplicates Z: 12 11.954 1.663 0.737 0.860 0.909 0.636 CB 1.009 12 residues pruned to eliminate duplicates Z: 15 7.574 1.740 0.377 0.376 0.714 0.643 CB 1.350 15 residues pruned to eliminate duplicates Z: 9 6.495 1.571 0.436 0.812 0.875 0.625 CB 0.887 9 residues pruned to eliminate duplicates Z: 11 7.291 1.791 0.096 0.690 0.800 0.400 CB 1.234 8 residues pruned to eliminate duplicates Z: 21 13.103 1.894 0.427 0.423 0.900 0.700 CA 1.305 21 residues pruned to eliminate duplicates Z: 11 12.191 1.833 0.465 0.800 0.900 0.700 CB 1.228 11 residues pruned to eliminate duplicates Z: 28 25.696 1.993 0.606 0.523 1.000 0.852 CB 1.510 28 residues pruned to eliminate duplicates Z: 6 4.256 1.809 0.279 0.390 0.600 0.600 N 1.541 Z: 7 7.909 1.916 0.075 0.866 1.000 0.833 CA 1.148 7 residues pruned to eliminate duplicates Z: 10 11.103 1.828 0.351 0.895 1.000 1.000 CB 1.075 10 residues pruned to eliminate duplicates Z: 8 8.577 1.802 0.171 0.797 1.000 0.571 CB 1.185 8 residues pruned to eliminate duplicates Z: 9 10.949 1.633 0.601 0.860 1.000 0.875 CA 1.088 8 residues pruned to eliminate duplicates Z: 13 18.845 1.890 0.537 0.915 1.000 0.917 CA 1.323 13 residues pruned to eliminate duplicates Z: 7 7.808 1.751 0.376 0.805 1.000 0.833 CA 1.014 7 residues pruned to eliminate duplicates Z: 76 39.502 2.035 0.550 0.602 0.920 0.653 CA 1.427 76 residues pruned to eliminate duplicates Z: 6 5.358 1.753 0.114 0.798 0.800 0.800 CA 1.182 6 residues pruned to eliminate duplicates Z: 6 5.128 1.663 0.651 0.365 0.800 0.600 CB 1.207 Z: 15 6.728 1.706 0.446 0.338 0.929 0.429 CB 0.936 15 residues pruned to eliminate duplicates Z: 30 23.961 2.019 0.764 0.477 0.931 0.690 CB 1.374 30 residues pruned to eliminate duplicates Z: 21 22.915 2.056 0.631 0.725 1.000 0.750 CA 1.248 21 residues pruned to eliminate duplicates Z: 40 21.147 1.878 0.747 0.464 0.821 0.359 CA 1.304 40 residues pruned to eliminate duplicates Z: 6 2.633 1.523 0.683 0.304 0.600 0.400 N 0.953 Z: 15 21.179 1.914 0.891 0.915 0.929 0.786 CB 1.190 15 residues pruned to eliminate duplicates Z: 9 3.334 1.725 0.040 0.249 0.750 0.250 CB 1.170 9 residues pruned to eliminate duplicates Z: 31 20.757 2.023 0.597 0.563 0.867 0.467 CA 1.273 31 residues pruned to eliminate duplicates Z: 66 39.297 2.069 0.519 0.613 0.938 0.615 CA 1.485 66 residues pruned to eliminate duplicates Z: 13 16.718 1.847 0.652 0.835 0.917 0.667 CA 1.292 13 residues pruned to eliminate duplicates Z: 11 14.825 1.986 0.690 0.781 1.000 0.700 CB 1.090 11 residues pruned to eliminate duplicates Z: 8 6.040 1.494 0.208 0.790 1.000 0.571 CB 0.981 7 residues pruned to eliminate duplicates Z: 6 5.314 1.770 0.343 0.680 1.000 0.800 CB 0.847 Z: 11 9.368 1.675 0.803 0.887 0.700 0.300 CA 1.010 11 residues pruned to eliminate duplicates Z: 39 19.283 1.886 0.645 0.504 0.842 0.395 CB 1.193 57 residues pruned to eliminate duplicates Z: 8 9.296 1.777 0.621 0.731 0.857 0.571 CA 1.156 7 residues pruned to eliminate duplicates Z: 30 18.225 1.881 0.445 0.634 0.897 0.655 CB 1.224 30 residues pruned to eliminate duplicates Z: 23 9.823 1.740 0.446 0.419 0.773 0.545 CB 1.171 17 residues pruned to eliminate duplicates Z: 14 17.853 1.943 0.647 0.848 0.923 0.615 CB 1.244 14 residues pruned to eliminate duplicates Z: 133 46.717 1.998 0.600 0.515 0.902 0.598 CA 1.390 133 residues pruned to eliminate duplicates Z: 7 2.106 1.517 0.250 0.330 0.667 0.667 CB 0.820 7 residues pruned to eliminate duplicates Z: 11 9.812 1.681 0.223 0.832 1.000 1.000 CB 1.134 11 residues pruned to eliminate duplicates Z: 7 3.614 1.399 0.352 0.395 1.000 0.500 CB 0.871 Z: 15 14.810 1.732 0.616 0.905 1.000 0.643 CB 1.007 15 residues pruned to eliminate duplicates Z: 11 3.058 1.490 0.286 0.435 0.900 0.400 CB 0.600 7 residues pruned to eliminate duplicates Z: 8 8.584 1.632 0.736 0.608 0.857 0.429 CA 1.205 Z: 20 9.702 1.798 0.420 0.428 0.737 0.684 CA 1.275 20 residues pruned to eliminate duplicates Z: 44 31.810 2.005 0.785 0.620 0.884 0.395 CB 1.369 44 residues pruned to eliminate duplicates Z: 11 3.713 1.505 0.287 0.409 0.600 0.300 CA 1.111 11 residues pruned to eliminate duplicates Z: 13 18.144 1.914 0.672 0.839 0.917 0.667 CA 1.333 13 residues pruned to eliminate duplicates Z: 68 33.076 1.947 0.710 0.508 0.881 0.522 CB 1.367 68 residues pruned to eliminate duplicates Z: 72 33.451 2.001 0.501 0.566 0.887 0.620 CB 1.398 72 residues pruned to eliminate duplicates Z: 15 14.684 1.996 0.544 0.393 1.000 0.714 CB 1.427 15 residues pruned to eliminate duplicates Z: 13 9.113 1.635 0.621 0.422 0.833 0.667 CA 1.292 Z: 29 18.400 1.903 0.576 0.462 0.964 0.643 CA 1.250 29 residues pruned to eliminate duplicates Z: 16 19.609 2.053 0.412 0.876 1.000 0.800 CA 1.270 16 residues pruned to eliminate duplicates Z: 67 38.477 2.069 0.467 0.604 0.970 0.712 CA 1.458 67 residues pruned to eliminate duplicates Z: 14 17.949 1.733 0.781 0.929 1.000 0.846 CA 1.129 14 residues pruned to eliminate duplicates Z: 13 15.523 1.617 0.723 0.865 1.000 0.917 CA 1.179 14 residues pruned to eliminate duplicates Z: 10 9.284 1.829 0.250 0.536 1.000 0.556 CB 1.306 11 residues pruned to eliminate duplicates Z: 26 16.014 1.804 0.742 0.375 0.880 0.480 CB 1.324 26 residues pruned to eliminate duplicates Z: 8 4.969 1.597 0.686 0.406 0.714 0.429 CA 1.078 8 residues pruned to eliminate duplicates Z: 48 30.995 2.025 0.779 0.485 0.872 0.574 CA 1.461 48 residues pruned to eliminate duplicates Z: 10 7.042 1.784 0.678 0.415 1.000 0.556 CB 0.858 10 residues pruned to eliminate duplicates Z: 34 16.513 1.945 0.397 0.362 0.909 0.576 CB 1.349 34 residues pruned to eliminate duplicates Z: 12 11.605 1.688 0.409 0.866 1.000 0.545 CB 1.077 12 residues pruned to eliminate duplicates Z: 6 9.630 1.896 0.728 0.536 1.000 0.400 CB 1.268 6 residues pruned to eliminate duplicates Z: 8 10.634 1.717 0.351 0.891 1.000 0.857 CB 1.246 8 residues pruned to eliminate duplicates Z: 41 24.938 2.040 0.604 0.583 0.875 0.650 CA 1.272 41 residues pruned to eliminate duplicates Z: 25 17.835 1.936 0.603 0.501 0.875 0.500 CA 1.339 25 residues pruned to eliminate duplicates Z: 16 12.987 1.880 0.639 0.537 0.933 0.800 CA 1.124 16 residues pruned to eliminate duplicates Z: 27 22.682 1.962 0.637 0.606 0.962 0.577 CA 1.302 27 residues pruned to eliminate duplicates Z: 12 20.318 1.993 0.610 0.918 1.000 0.364 CB 1.346 12 residues pruned to eliminate duplicates Z: 7 3.431 1.461 0.197 0.707 0.667 0.333 CB 0.995 7 residues pruned to eliminate duplicates Z: 8 3.338 1.269 0.742 0.459 1.000 0.571 CA 0.595 Z: 15 18.081 1.811 0.696 0.811 1.000 0.714 CA 1.200 15 residues pruned to eliminate duplicates Z: 20 13.522 1.805 0.629 0.644 0.895 0.632 CB 1.031 20 residues pruned to eliminate duplicates Z: 53 32.536 2.029 0.742 0.548 0.865 0.615 CB 1.407 53 residues pruned to eliminate duplicates Z: 19 19.666 1.970 0.958 0.601 0.833 0.556 CA 1.310 19 residues pruned to eliminate duplicates Z: 6 5.478 1.614 0.380 0.600 0.800 0.800 CA 1.249 Z: 6 2.463 1.636 -0.205 0.297 0.800 0.800 N 1.330 Z: 11 11.333 1.790 0.650 0.862 0.900 0.700 CB 0.990 11 residues pruned to eliminate duplicates Z: 15 5.907 1.621 0.327 0.324 0.857 0.643 CB 1.038 15 residues pruned to eliminate duplicates Z: 12 11.194 1.723 0.243 0.841 1.000 1.000 CA 1.175 12 residues pruned to eliminate duplicates Z: 7 4.498 1.748 0.434 0.308 1.000 0.833 CB 0.907 7 residues pruned to eliminate duplicates Z: 17 8.882 1.749 0.400 0.297 0.938 0.438 CB 1.214 28 residues pruned to eliminate duplicates Z: 12 14.317 1.964 0.910 0.826 0.909 0.636 CB 0.954 12 residues pruned to eliminate duplicates Z: 21 17.236 1.800 0.543 0.736 0.850 0.650 CB 1.320 21 residues pruned to eliminate duplicates Z: 12 12.778 2.019 0.192 0.864 0.909 0.818 CB 1.292 12 residues pruned to eliminate duplicates Z: 18 21.934 2.010 0.540 0.874 0.941 0.647 CA 1.329 18 residues pruned to eliminate duplicates Z: 18 24.589 1.859 0.642 0.877 1.000 0.588 CA 1.418 18 residues pruned to eliminate duplicates Z: 67 30.499 1.972 0.420 0.563 0.924 0.576 CB 1.365 67 residues pruned to eliminate duplicates Z: 16 14.472 1.840 0.367 0.854 0.933 0.600 CB 1.176 16 residues pruned to eliminate duplicates Z: 13 10.163 1.933 0.376 0.359 0.917 0.583 CA 1.402 13 residues pruned to eliminate duplicates Z: 11 12.757 1.760 0.453 0.874 1.000 0.800 CB 1.148 11 residues pruned to eliminate duplicates Z: 14 11.255 1.812 0.795 0.489 0.692 0.538 CB 1.401 14 residues pruned to eliminate duplicates Z: 42 28.700 2.020 0.686 0.524 0.927 0.512 CB 1.387 42 residues pruned to eliminate duplicates Z: 11 12.226 1.827 0.455 0.572 1.000 0.700 CB 1.356 11 residues pruned to eliminate duplicates Z: 11 9.352 1.780 0.388 0.855 0.900 0.600 CB 0.981 11 residues pruned to eliminate duplicates Z: 11 12.619 1.902 0.580 0.373 1.000 0.600 CA 1.521 Z: 6 3.598 1.579 0.042 0.390 1.000 0.400 CA 1.098 Z: 9 9.610 1.770 0.250 0.888 1.000 0.500 CA 1.106 9 residues pruned to eliminate duplicates Z: 6 4.916 1.711 0.052 0.843 1.000 0.600 CB 0.909 6 residues pruned to eliminate duplicates Z: 38 23.760 1.991 0.585 0.502 0.919 0.568 CB 1.344 38 residues pruned to eliminate duplicates Z: 14 22.308 2.104 0.616 0.820 0.923 0.769 CA 1.494 14 residues pruned to eliminate duplicates Z: 37 20.941 1.802 0.558 0.453 0.972 0.472 CA 1.341 40 residues pruned to eliminate duplicates Z: 7 2.350 1.560 -0.246 0.506 0.833 0.667 CB 0.973 Z: 14 32.091 2.195 0.779 0.907 1.000 0.538 CA 1.621 15 residues pruned to eliminate duplicates Z: 7 2.653 1.446 0.113 0.371 0.833 0.333 CB 0.926 Z: 10 6.854 1.770 0.339 0.505 0.889 0.556 CB 1.080 10 residues pruned to eliminate duplicates Z: 7 7.124 1.732 0.391 0.563 0.833 0.333 CA 1.362 7 residues pruned to eliminate duplicates Z: 13 17.750 1.975 0.683 0.537 1.000 0.667 CB 1.487 13 residues pruned to eliminate duplicates Z: 13 6.303 1.547 0.622 0.307 0.750 0.417 CA 1.198 13 residues pruned to eliminate duplicates Z: 19 16.785 1.840 0.633 0.654 0.889 0.722 CB 1.284 18 residues pruned to eliminate duplicates Z: 8 5.107 1.425 0.287 0.530 1.000 0.571 N 1.022 Z: 19 27.278 2.156 0.681 0.785 0.944 0.667 CA 1.463 19 residues pruned to eliminate duplicates Z: 60 33.809 2.031 0.678 0.539 0.915 0.475 CB 1.359 60 residues pruned to eliminate duplicates Z: 51 29.679 1.957 0.482 0.573 0.900 0.460 CB 1.499 51 residues pruned to eliminate duplicates Z: 62 29.243 1.950 0.515 0.525 0.967 0.639 CB 1.278 62 residues pruned to eliminate duplicates Z: 19 22.931 1.992 0.862 0.697 0.889 0.722 CB 1.370 19 residues pruned to eliminate duplicates 6 1.089 1.133 0.174 0.296 0.800 0.400 CB 0.576 ? Z: 7 12.076 1.881 0.995 0.823 0.833 0.500 CB 1.192 7 residues pruned to eliminate duplicates Z: 6 4.318 1.760 0.081 0.536 1.000 0.600 N 0.980 6 residues pruned to eliminate duplicates Z: 30 14.607 1.826 0.446 0.614 0.828 0.517 CA 1.114 30 residues pruned to eliminate duplicates Z: 19 16.257 1.853 0.628 0.537 0.889 0.556 CB 1.378 19 residues pruned to eliminate duplicates Z: 6 3.960 1.425 0.500 0.484 1.000 0.800 CB 0.842 Z: 14 12.403 1.784 0.456 0.858 0.923 0.615 CA 1.057 14 residues pruned to eliminate duplicates Z: 6 6.475 1.900 0.032 0.867 1.000 1.000 CB 1.081 6 residues pruned to eliminate duplicates Z: 12 11.908 1.689 0.682 0.908 0.909 0.727 CB 0.987 12 residues pruned to eliminate duplicates Z: 12 20.222 1.898 0.760 0.799 1.000 0.455 CA 1.405 12 residues pruned to eliminate duplicates Z: 16 5.197 1.556 0.713 0.213 0.733 0.333 CB 0.963 16 residues pruned to eliminate duplicates Z: 6 2.748 1.256 0.675 0.525 0.800 0.600 N 0.712 Z: 26 17.980 1.915 0.671 0.431 0.920 0.640 CB 1.312 26 residues pruned to eliminate duplicates Z: 11 5.296 1.396 0.421 0.325 0.900 0.600 CB 1.137 Z: 6 5.652 1.472 0.449 0.797 1.000 0.800 CB 0.914 Z: 6 7.105 1.491 0.413 0.713 1.000 0.800 O 1.244 6 residues pruned to eliminate duplicates Z: 8 7.591 1.717 0.701 0.504 0.857 0.429 CB 1.142 Z: 6 9.473 1.681 0.601 0.861 1.000 0.800 N 1.157 6 residues pruned to eliminate duplicates Z: 16 14.229 1.859 0.701 0.331 1.000 0.667 CB 1.397 19 residues pruned to eliminate duplicates Z: 7 8.469 2.013 0.648 0.712 0.833 0.667 CB 1.032 7 residues pruned to eliminate duplicates Z: 9 3.807 1.431 0.341 0.419 0.875 0.500 CB 0.873 5 residues pruned to eliminate duplicates Z: 15 14.005 1.891 0.419 0.759 0.857 0.571 CA 1.293 15 residues pruned to eliminate duplicates Z: 6 7.864 1.881 0.431 0.851 0.800 0.600 CA 1.209 6 residues pruned to eliminate duplicates Z: 31 22.291 2.018 0.705 0.492 0.867 0.467 CB 1.375 31 residues pruned to eliminate duplicates Z: 8 5.036 1.619 0.128 0.639 0.714 0.571 CA 1.281 8 residues pruned to eliminate duplicates Z: 11 12.443 1.804 0.352 0.857 1.000 0.700 CB 1.189 11 residues pruned to eliminate duplicates Z: 28 22.626 1.996 0.407 0.617 0.963 0.741 CB 1.441 28 residues pruned to eliminate duplicates Z: 12 20.771 2.162 0.678 0.887 1.000 0.818 CA 1.245 12 residues pruned to eliminate duplicates Z: 16 6.108 1.507 0.340 0.449 0.867 0.467 CA 0.950 16 residues pruned to eliminate duplicates Z: 9 3.690 1.619 0.406 0.349 0.875 0.500 CB 0.772 Z: 17 14.907 1.786 0.344 0.924 1.000 0.812 CA 1.090 18 residues pruned to eliminate duplicates Z: 6 2.385 1.461 -0.027 0.410 0.800 0.600 CA 1.030 Z: 16 15.420 1.782 0.642 0.763 0.933 0.600 CA 1.155 16 residues pruned to eliminate duplicates Z: 6 2.309 1.255 0.398 0.380 0.800 0.400 CA 0.836 Z: 10 2.984 1.579 0.584 0.275 0.667 0.444 CB 0.770 10 residues pruned to eliminate duplicates Z: 12 11.505 1.943 0.199 0.863 1.000 0.727 CA 1.092 12 residues pruned to eliminate duplicates Z: 10 10.937 1.802 0.489 0.724 1.000 0.444 CB 1.111 10 residues pruned to eliminate duplicates Z: 6 2.336 1.192 0.348 0.482 1.000 0.600 CB 0.662 6 residues pruned to eliminate duplicates Z: 29 27.773 2.072 0.656 0.650 0.964 0.679 CA 1.379 26 residues pruned to eliminate duplicates Z: 6 3.415 1.318 0.564 0.184 1.000 0.400 N 1.083 6 residues pruned to eliminate duplicates Z: 37 25.377 2.022 0.504 0.522 1.000 0.556 CB 1.360 37 residues pruned to eliminate duplicates Z: 7 4.473 1.442 0.551 0.890 0.833 0.667 CB 0.705 10 residues pruned to eliminate duplicates 6 1.578 1.072 0.870 0.298 0.800 0.400 N 0.551 ? Z: 17 18.869 2.055 0.338 0.852 1.000 0.438 CA 1.269 17 residues pruned to eliminate duplicates Z: 7 4.514 1.602 0.221 0.745 0.833 0.667 CA 0.908 7 residues pruned to eliminate duplicates Z: 6 6.561 1.606 0.412 0.795 1.000 1.000 CA 0.999 6 residues pruned to eliminate duplicates Z: 7 8.788 1.913 0.174 0.788 1.000 0.833 CA 1.240 7 residues pruned to eliminate duplicates Z: 37 21.820 1.897 0.645 0.534 0.861 0.611 CA 1.310 37 residues pruned to eliminate duplicates Z: 6 2.125 1.372 0.080 0.275 0.800 0.600 CA 1.034 Z: 22 15.900 1.824 0.735 0.479 0.857 0.762 CB 1.307 24 residues pruned to eliminate duplicates Z: 14 31.060 2.100 0.766 0.939 1.000 0.615 CA 1.614 14 residues pruned to eliminate duplicates Z: 81 35.215 1.997 0.757 0.482 0.863 0.562 CA 1.324 81 residues pruned to eliminate duplicates Z: 76 38.026 2.061 0.508 0.570 0.907 0.707 CB 1.457 75 residues pruned to eliminate duplicates Z: 39 21.569 1.969 0.493 0.466 0.921 0.579 CB 1.337 39 residues pruned to eliminate duplicates Z: 28 20.266 1.953 0.596 0.505 0.963 0.778 CA 1.293 26 residues pruned to eliminate duplicates Z: 74 36.454 2.007 0.599 0.518 0.945 0.630 CA 1.381 74 residues pruned to eliminate duplicates Z: 68 32.766 1.999 0.694 0.458 0.896 0.522 CB 1.378 68 residues pruned to eliminate duplicates Z: 14 3.457 1.586 0.300 0.100 0.769 0.538 CB 1.007 14 residues pruned to eliminate duplicates Z: 15 7.597 1.637 0.644 0.388 0.786 0.500 CB 1.081 15 residues pruned to eliminate duplicates Z: 36 21.716 1.911 0.539 0.546 0.857 0.571 CA 1.392 36 residues pruned to eliminate duplicates Z: 10 9.248 1.809 0.701 0.420 0.778 0.667 CA 1.399 10 residues pruned to eliminate duplicates 6 1.912 1.411 0.186 0.353 0.600 0.400 CA 0.998 ? Z: 12 16.044 1.766 0.525 0.920 1.000 0.545 CA 1.265 12 residues pruned to eliminate duplicates Z: 8 6.730 1.572 0.435 0.680 1.000 0.429 CA 0.955 8 residues pruned to eliminate duplicates Z: 6 3.810 1.657 0.264 0.692 1.000 0.800 CB 0.682 Z: 6 5.308 1.173 0.650 0.850 1.000 0.600 C 0.908 6 residues pruned to eliminate duplicates Z: 15 30.390 2.110 1.027 0.869 1.000 0.500 CA 1.387 15 residues pruned to eliminate duplicates Z: 14 26.506 2.080 0.686 0.913 1.000 0.692 CA 1.484 15 residues pruned to eliminate duplicates Z: 15 23.719 2.046 0.645 0.866 0.929 0.786 CA 1.486 14 residues pruned to eliminate duplicates Z: 9 3.181 1.598 0.624 0.245 0.625 0.250 CB 0.931 Z: 29 15.128 1.776 0.378 0.538 0.857 0.679 CA 1.312 29 residues pruned to eliminate duplicates Z: 8 10.832 1.840 0.224 0.867 1.000 0.714 CB 1.329 8 residues pruned to eliminate duplicates Z: 12 8.518 1.647 0.260 0.901 0.909 0.636 CB 0.971 12 residues pruned to eliminate duplicates Z: 9 9.309 1.829 0.245 0.598 1.000 0.500 CB 1.316 9 residues pruned to eliminate duplicates Z: 15 13.306 1.775 0.718 0.883 0.929 0.571 CB 0.908 15 residues pruned to eliminate duplicates Z: 8 15.974 1.918 0.728 0.887 1.000 0.714 CA 1.314 8 residues pruned to eliminate duplicates Z: 7 5.561 1.465 0.161 0.747 1.000 0.500 CB 1.070 7 residues pruned to eliminate duplicates Z: 12 9.717 1.805 0.820 0.435 0.727 0.636 CB 1.312 12 residues pruned to eliminate duplicates Z: 13 14.662 1.906 0.586 0.796 1.000 0.750 CA 1.081 13 residues pruned to eliminate duplicates Z: 14 20.630 2.020 0.417 0.908 1.000 0.692 CA 1.420 14 residues pruned to eliminate duplicates Z: 28 18.501 1.936 0.653 0.605 0.926 0.444 CB 1.088 28 residues pruned to eliminate duplicates Z: 6 8.693 1.679 0.726 0.823 1.000 0.800 CA 1.014 6 residues pruned to eliminate duplicates Z: 13 8.519 1.682 0.268 0.694 0.917 0.750 CB 1.054 13 residues pruned to eliminate duplicates Z: 37 10.293 1.817 0.442 0.293 0.722 0.417 CB 1.144 37 residues pruned to eliminate duplicates Z: 6 6.302 1.603 0.233 0.686 1.000 1.000 CA 1.203 6 residues pruned to eliminate duplicates 6 1.844 1.561 0.121 0.175 0.800 0.400 CB 0.872 ? Z: 23 17.045 1.831 0.803 0.442 0.909 0.591 CB 1.286 23 residues pruned to eliminate duplicates Z: 7 4.922 1.174 0.904 0.669 0.833 0.833 CB 0.922 6 residues pruned to eliminate duplicates Z: 13 14.374 2.024 0.089 0.847 1.000 0.750 CA 1.398 13 residues pruned to eliminate duplicates Z: 32 20.363 1.878 0.721 0.464 0.903 0.548 CA 1.300 32 residues pruned to eliminate duplicates Z: 9 10.130 1.811 0.391 0.505 1.000 0.625 CB 1.415 9 residues pruned to eliminate duplicates Z: 21 16.932 1.899 0.685 0.653 1.000 0.750 CA 1.026 21 residues pruned to eliminate duplicates Z: 52 29.470 2.030 0.427 0.580 0.961 0.647 CA 1.372 105 residues pruned to eliminate duplicates Z: 7 8.829 1.762 0.278 0.793 1.000 0.667 CA 1.237 7 residues pruned to eliminate duplicates 7 1.390 1.341 0.571 0.083 0.667 0.167 N 0.693 ? Z: 8 3.782 1.531 0.245 0.308 0.857 0.714 CA 1.082 8 residues pruned to eliminate duplicates Z: 7 9.522 1.787 0.613 0.799 1.000 1.000 CA 1.038 7 residues pruned to eliminate duplicates Z: 7 4.843 1.650 0.174 0.657 0.833 0.833 CA 1.058 Z: 6 6.753 1.582 0.310 0.841 1.000 0.800 N 1.087 6 residues pruned to eliminate duplicates Z: 8 7.040 1.844 0.042 0.846 0.857 0.857 CA 1.200 8 residues pruned to eliminate duplicates Z: 30 26.085 2.036 0.553 0.624 0.931 0.586 CA 1.464 30 residues pruned to eliminate duplicates Z: 8 3.242 1.491 0.553 0.426 0.714 0.571 CB 0.800 Z: 17 23.274 1.883 0.674 0.788 1.000 0.688 CA 1.432 17 residues pruned to eliminate duplicates Z: 10 18.143 1.953 0.837 0.888 1.000 0.444 CB 1.215 10 residues pruned to eliminate duplicates Z: 15 19.747 1.769 0.879 0.914 1.000 0.786 CB 1.122 15 residues pruned to eliminate duplicates Z: 60 30.471 1.941 0.739 0.530 0.864 0.441 CB 1.320 60 residues pruned to eliminate duplicates Z: 8 7.267 1.637 0.248 0.671 1.000 0.714 CA 1.148 8 residues pruned to eliminate duplicates Z: 8 6.674 1.668 1.060 0.486 0.857 0.429 CB 0.868 Z: 32 18.936 1.988 0.470 0.452 0.935 0.548 CB 1.307 32 residues pruned to eliminate duplicates Z: 8 10.486 1.825 0.432 0.698 0.857 0.714 CA 1.476 8 residues pruned to eliminate duplicates Z: 9 10.048 1.696 0.648 0.822 0.875 0.500 CB 1.099 9 residues pruned to eliminate duplicates Z: 11 26.599 2.081 0.950 0.881 1.000 0.600 CA 1.502 11 residues pruned to eliminate duplicates Z: 13 12.220 1.830 0.378 0.853 1.000 0.750 CA 1.033 13 residues pruned to eliminate duplicates Z: 9 19.951 1.992 0.842 0.853 1.000 1.000 CB 1.421 9 residues pruned to eliminate duplicates Z: 10 12.406 1.878 0.182 0.890 1.000 0.778 CB 1.340 10 residues pruned to eliminate duplicates Z: 12 10.692 1.857 0.333 0.519 0.909 0.636 CA 1.406 12 residues pruned to eliminate duplicates Z: 7 2.684 1.645 0.454 0.248 0.667 0.333 N 0.918 7 residues pruned to eliminate duplicates Z: 6 2.993 1.596 0.090 0.362 1.000 0.600 CB 0.892 6 residues pruned to eliminate duplicates Z: 7 10.695 1.635 0.898 0.628 1.000 1.000 CB 1.247 Z: 10 8.791 1.909 0.397 0.509 0.889 0.667 CA 1.225 10 residues pruned to eliminate duplicates Z: 50 27.214 1.940 0.654 0.509 0.939 0.612 CA 1.279 56 residues pruned to eliminate duplicates Z: 27 23.938 2.028 0.582 0.524 0.923 0.731 CB 1.548 27 residues pruned to eliminate duplicates Z: 11 8.552 1.770 0.495 0.388 0.800 0.700 CB 1.438 11 residues pruned to eliminate duplicates Z: 6 6.616 1.691 0.216 0.656 1.000 0.800 CA 1.246 6 residues pruned to eliminate duplicates Z: 13 10.644 1.798 0.507 0.465 0.917 0.833 CB 1.282 Z: 18 8.919 2.000 0.224 0.316 0.941 0.588 CB 1.150 Z: 69 39.268 2.014 0.553 0.611 0.941 0.721 CA 1.456 69 residues pruned to eliminate duplicates Z: 9 10.110 1.721 0.611 0.479 1.000 0.625 CA 1.318 9 residues pruned to eliminate duplicates Z: 13 16.392 2.136 0.336 0.824 0.833 0.667 CA 1.503 13 residues pruned to eliminate duplicates Z: 17 12.951 1.849 0.486 0.386 1.000 0.750 CB 1.330 18 residues pruned to eliminate duplicates Z: 6 12.085 1.797 0.813 0.857 1.000 1.000 CB 1.222 6 residues pruned to eliminate duplicates Z: 10 11.125 1.720 0.506 0.900 1.000 0.889 CA 1.023 10 residues pruned to eliminate duplicates Z: 11 3.615 1.504 0.256 0.323 0.900 0.600 CB 0.817 Z: 8 7.964 1.752 0.645 0.509 0.857 0.429 CB 1.207 8 residues pruned to eliminate duplicates Z: 14 21.355 2.003 0.702 0.867 0.923 0.615 CA 1.377 14 residues pruned to eliminate duplicates Z: 11 22.013 1.963 0.679 0.895 1.000 0.900 CA 1.514 11 residues pruned to eliminate duplicates Z: 16 18.989 1.827 0.638 0.916 1.000 0.733 CB 1.158 Z: 8 5.042 1.490 0.467 0.284 0.857 0.714 N 1.297 Z: 14 14.683 1.813 0.532 0.883 0.923 0.923 CA 1.148 14 residues pruned to eliminate duplicates Z: 8 11.283 1.828 0.632 0.505 1.000 1.000 CA 1.423 8 residues pruned to eliminate duplicates Z: 39 23.845 1.979 0.589 0.497 0.921 0.579 CB 1.340 83 residues pruned to eliminate duplicates Z: 30 21.902 1.923 0.580 0.607 0.862 0.655 CA 1.403 30 residues pruned to eliminate duplicates Z: 38 24.293 1.969 0.572 0.490 0.919 0.459 CA 1.418 53 residues pruned to eliminate duplicates Z: 7 2.223 1.438 0.176 0.235 0.833 0.667 CB 0.877 Z: 35 25.555 2.027 0.567 0.567 0.912 0.559 CA 1.419 35 residues pruned to eliminate duplicates Z: 11 16.336 1.981 0.562 0.898 1.000 0.800 CB 1.194 8 1.613 1.410 0.479 0.392 0.571 0.429 CB 0.574 ? Z: 28 14.374 1.830 0.484 0.369 0.889 0.556 CB 1.319 28 residues pruned to eliminate duplicates Z: 16 10.497 1.655 0.587 0.721 0.867 0.733 CB 0.975 11 residues pruned to eliminate duplicates Z: 11 13.622 1.752 0.702 0.869 1.000 0.800 CA 1.055 11 residues pruned to eliminate duplicates Z: 8 10.629 1.679 0.743 0.795 0.857 0.429 CB 1.237 8 residues pruned to eliminate duplicates Z: 31 16.797 1.942 0.559 0.459 0.867 0.467 CB 1.218 8 residues pruned to eliminate duplicates Z: 27 19.256 2.049 0.578 0.525 0.885 0.654 CA 1.287 27 residues pruned to eliminate duplicates Z: 35 24.997 1.985 0.706 0.547 0.882 0.588 CA 1.370 35 residues pruned to eliminate duplicates Z: 6 8.466 2.063 0.116 0.820 1.000 1.000 CB 1.246 6 residues pruned to eliminate duplicates Z: 42 25.230 1.994 0.479 0.559 0.951 0.585 CA 1.326 24 residues pruned to eliminate duplicates Z: 21 29.265 2.018 0.866 0.740 0.950 0.600 CA 1.475 21 residues pruned to eliminate duplicates Z: 12 10.947 1.532 0.657 0.826 1.000 0.636 CB 0.981 15 residues pruned to eliminate duplicates Z: 11 7.825 1.419 1.029 0.930 0.900 0.500 CB 0.668 11 residues pruned to eliminate duplicates Z: 8 5.107 1.464 0.316 0.482 1.000 0.571 CB 1.020 Z: 36 19.502 1.911 0.699 0.457 0.914 0.629 CA 1.161 35 residues pruned to eliminate duplicates Z: 38 23.675 2.001 0.505 0.519 0.919 0.595 CA 1.380 38 residues pruned to eliminate duplicates Z: 6 5.590 1.305 0.815 0.644 1.000 0.800 CB 0.923 Z: 56 38.096 2.085 0.626 0.589 0.945 0.655 CB 1.472 86 residues pruned to eliminate duplicates Z: 15 6.339 1.707 0.517 0.290 0.929 0.786 CB 0.892 15 residues pruned to eliminate duplicates Z: 7 4.752 1.714 0.586 0.336 0.833 0.500 CA 1.025 7 residues pruned to eliminate duplicates Z: 7 6.107 1.523 0.752 0.812 0.667 0.333 CB 1.068 7 residues pruned to eliminate duplicates Z: 10 7.995 1.821 0.397 0.450 0.889 0.444 CA 1.240 Z: 9 7.051 1.720 0.504 0.322 0.875 0.625 CA 1.340 9 residues pruned to eliminate duplicates Z: 8 2.747 1.604 0.537 0.233 0.714 0.429 CB 0.804 Z: 12 16.002 1.769 0.666 0.882 1.000 0.636 CA 1.185 12 residues pruned to eliminate duplicates Z: 15 8.280 1.968 0.410 0.364 1.000 0.500 CB 0.923 15 residues pruned to eliminate duplicates Z: 10 2.453 1.286 0.652 0.220 0.667 0.444 C 0.803 Z: 9 4.730 1.589 0.575 0.492 0.750 0.500 CB 0.898 Z: 6 9.510 2.188 0.131 0.782 0.800 0.400 CA 1.676 6 residues pruned to eliminate duplicates Z: 11 7.098 1.402 0.844 0.916 1.000 0.400 CB 0.613 11 residues pruned to eliminate duplicates Z: 11 6.130 1.614 0.450 0.256 0.900 0.700 CA 1.217 11 residues pruned to eliminate duplicates Z: 57 33.230 2.037 0.605 0.589 0.911 0.607 CB 1.370 57 residues pruned to eliminate duplicates Z: 8 8.296 1.739 0.252 0.802 0.857 0.714 CB 1.290 8 residues pruned to eliminate duplicates Z: 7 11.756 1.777 0.994 0.786 0.833 0.833 CA 1.264 7 residues pruned to eliminate duplicates Z: 9 5.436 1.781 0.267 0.450 0.750 0.750 CB 1.196 Z: 7 11.082 1.919 0.563 0.786 1.000 0.833 CB 1.173 8 residues pruned to eliminate duplicates Z: 10 25.131 2.097 1.294 0.920 1.000 0.889 CA 1.226 10 residues pruned to eliminate duplicates Z: 11 8.990 1.586 0.546 0.488 0.900 0.900 CA 1.304 Z: 8 4.780 1.699 0.197 0.443 0.714 0.429 N 1.319 9 residues pruned to eliminate duplicates Z: 21 17.600 1.885 0.482 0.534 0.950 0.550 CA 1.434 21 residues pruned to eliminate duplicates Z: 12 4.961 1.445 0.450 0.428 0.818 0.545 CB 0.940 Z: 11 9.524 1.762 0.551 0.858 0.900 0.700 CB 0.902 11 residues pruned to eliminate duplicates Z: 14 9.730 1.552 0.923 0.410 0.769 0.538 CA 1.292 11 residues pruned to eliminate duplicates Z: 66 36.557 2.002 0.494 0.582 0.969 0.646 CA 1.446 66 residues pruned to eliminate duplicates Z: 11 12.843 1.630 0.684 0.884 0.900 0.600 CA 1.188 Z: 41 22.316 1.907 0.577 0.495 0.850 0.475 CA 1.387 41 residues pruned to eliminate duplicates Z: 17 10.630 1.834 0.583 0.301 0.875 0.500 CB 1.305 17 residues pruned to eliminate duplicates Z: 48 25.982 1.915 0.756 0.481 0.894 0.617 CA 1.286 34 residues pruned to eliminate duplicates Z: 6 10.872 1.702 0.706 0.804 1.000 1.000 O 1.285 Z: 8 3.149 1.412 0.408 0.376 0.714 0.429 CB 0.956 7 residues pruned to eliminate duplicates Z: 8 10.445 1.754 0.408 0.815 1.000 0.714 CA 1.215 8 residues pruned to eliminate duplicates Z: 13 9.014 1.529 0.511 0.542 1.000 0.583 CA 1.081 13 residues pruned to eliminate duplicates Z: 30 19.783 1.953 0.396 0.621 0.897 0.655 CA 1.341 30 residues pruned to eliminate duplicates Z: 22 16.303 1.872 0.876 0.400 0.762 0.238 CB 1.477 22 residues pruned to eliminate duplicates Z: 6 8.701 2.000 0.596 0.569 0.800 0.400 CA 1.425 6 residues pruned to eliminate duplicates Z: 12 5.727 1.557 0.524 0.344 0.727 0.455 CB 1.186 12 residues pruned to eliminate duplicates Z: 19 10.326 1.676 0.517 0.460 0.833 0.611 CA 1.197 19 residues pruned to eliminate duplicates Z: 18 17.097 1.890 0.469 0.863 0.941 0.765 CA 1.164 18 residues pruned to eliminate duplicates Z: 9 3.035 1.393 0.282 0.378 0.625 0.375 CA 1.095 6 residues pruned to eliminate duplicates Z: 25 11.631 1.734 0.504 0.352 0.792 0.583 CA 1.350 25 residues pruned to eliminate duplicates Z: 34 18.957 1.862 0.418 0.477 0.909 0.606 CB 1.408 34 residues pruned to eliminate duplicates Z: 29 22.647 1.961 0.594 0.528 0.929 0.536 CB 1.436 29 residues pruned to eliminate duplicates Z: 8 2.759 1.502 0.516 0.464 0.714 0.571 CB 0.666 6 residues pruned to eliminate duplicates 9 1.930 1.327 0.261 0.163 0.875 0.375 CB 0.703 ? Z: 7 3.437 1.503 0.521 0.342 0.667 0.500 CA 1.093 Z: 13 20.809 2.124 0.612 0.914 0.917 0.667 CA 1.353 13 residues pruned to eliminate duplicates Z: 11 11.081 1.869 0.685 0.375 0.900 0.700 CA 1.414 11 residues pruned to eliminate duplicates 7 1.982 1.482 0.335 0.391 1.000 0.500 CB 0.459 ? Z: 17 13.116 1.768 0.130 0.910 1.000 0.875 CB 1.164 16 residues pruned to eliminate duplicates Z: 15 8.179 1.922 0.313 0.377 0.857 0.571 CB 1.152 15 residues pruned to eliminate duplicates Z: 7 4.824 1.547 0.797 0.659 0.833 0.833 CA 0.733 Z: 11 6.535 1.566 0.769 0.384 0.800 0.200 CB 1.055 11 residues pruned to eliminate duplicates Z: 13 13.171 1.747 0.686 0.609 0.917 0.667 CB 1.270 13 residues pruned to eliminate duplicates Z: 6 3.929 1.370 0.238 0.526 1.000 0.400 CA 1.011 Z: 6 2.475 1.356 0.426 0.294 0.800 0.600 N 0.901 Z: 11 10.197 1.849 0.038 0.893 1.000 1.000 CA 1.206 11 residues pruned to eliminate duplicates Z: 15 16.492 1.787 0.488 0.746 1.000 0.500 CB 1.330 15 residues pruned to eliminate duplicates Z: 30 17.289 1.943 0.639 0.320 0.897 0.483 CB 1.371 30 residues pruned to eliminate duplicates Z: 7 6.836 1.616 0.691 0.814 1.000 0.833 CB 0.777 7 residues pruned to eliminate duplicates Z: 12 6.105 1.557 0.614 0.389 0.727 0.455 N 1.133 12 residues pruned to eliminate duplicates Z: 11 13.075 1.939 0.720 0.870 0.900 0.700 CA 1.006 11 residues pruned to eliminate duplicates 6 0.998 1.125 0.109 0.316 0.600 0.400 CB 0.730 ? 7 1.238 1.288 0.231 0.250 0.833 0.500 CB 0.510 ? Z: 10 5.212 1.573 -0.030 0.526 1.000 0.778 CB 1.110 10 residues pruned to eliminate duplicates 6 1.437 1.195 0.197 0.273 0.800 0.400 CA 0.727 ? Z: 7 3.959 1.388 0.877 0.456 0.667 0.667 CA 0.974 Z: 8 3.005 1.262 0.348 0.271 1.000 0.286 CB 0.866 Z: 13 6.726 1.597 0.220 0.444 0.917 0.667 CB 1.151 9 residues pruned to eliminate duplicates Z: 22 12.513 1.772 0.429 0.400 0.905 0.714 CB 1.325 20 residues pruned to eliminate duplicates Z: 19 11.505 1.921 0.352 0.433 0.889 0.500 CB 1.258 19 residues pruned to eliminate duplicates Z: 8 2.205 1.308 0.518 0.292 0.571 0.286 CA 0.927 6 1.325 1.275 0.544 0.429 1.000 0.400 CB 0.324 ? Z: 27 9.436 1.635 0.476 0.321 0.846 0.500 CA 1.104 27 residues pruned to eliminate duplicates Z: 12 18.669 1.950 0.744 0.931 0.818 0.545 CA 1.413 12 residues pruned to eliminate duplicates Z: 8 6.108 1.709 0.367 0.583 0.857 0.714 CB 1.065 8 residues pruned to eliminate duplicates Z: 7 6.351 1.936 0.051 0.832 0.833 0.500 CB 1.148 7 residues pruned to eliminate duplicates Z: 24 15.379 1.884 0.405 0.714 0.957 0.783 CA 1.043 24 residues pruned to eliminate duplicates Z: 33 15.247 1.787 0.526 0.434 0.844 0.312 CB 1.255 33 residues pruned to eliminate duplicates Z: 9 10.940 1.889 0.704 0.786 0.750 0.500 CA 1.245 9 residues pruned to eliminate duplicates Z: 6 3.807 1.445 0.111 0.405 1.000 0.600 CB 1.172 Z: 20 19.272 1.952 0.554 0.676 0.947 0.526 CA 1.308 20 residues pruned to eliminate duplicates Z: 28 29.404 2.013 0.773 0.629 1.000 0.593 CA 1.404 28 residues pruned to eliminate duplicates Z: 8 2.936 1.318 0.190 0.511 0.857 0.714 CB 0.817 Z: 30 30.698 2.145 0.643 0.613 0.931 0.621 CB 1.561 30 residues pruned to eliminate duplicates Z: 21 21.723 1.867 0.733 0.663 1.000 0.750 CA 1.291 21 residues pruned to eliminate duplicates Z: 20 12.299 1.818 0.545 0.498 0.895 0.632 CA 1.125 20 residues pruned to eliminate duplicates Z: 13 23.224 1.921 0.952 0.939 1.000 0.833 CA 1.242 13 residues pruned to eliminate duplicates Z: 17 11.341 1.889 0.677 0.500 0.688 0.375 CB 1.302 17 residues pruned to eliminate duplicates Z: 14 8.674 1.801 -0.036 0.923 1.000 0.846 CA 0.974 14 residues pruned to eliminate duplicates Z: 11 6.572 1.904 0.256 0.406 0.800 0.600 CA 1.199 11 residues pruned to eliminate duplicates Z: 15 28.113 2.033 0.821 0.895 1.000 0.500 CA 1.455 15 residues pruned to eliminate duplicates Z: 15 29.356 2.026 0.907 0.862 0.929 0.500 CA 1.606 15 residues pruned to eliminate duplicates Z: 6 7.098 1.663 0.678 0.482 1.000 0.600 CA 1.158 Z: 14 15.790 1.866 0.721 0.811 0.923 0.923 CA 1.126 14 residues pruned to eliminate duplicates Z: 15 25.264 2.012 0.728 0.823 0.929 0.429 CB 1.581 18 residues pruned to eliminate duplicates Z: 37 16.939 1.804 0.470 0.512 0.861 0.472 CB 1.221 37 residues pruned to eliminate duplicates Z: 26 12.288 1.877 0.371 0.408 0.920 0.600 CB 1.143 26 residues pruned to eliminate duplicates Z: 6 16.458 1.692 1.567 0.669 1.000 1.000 CB 1.450 6 residues pruned to eliminate duplicates Z: 57 28.004 1.905 0.688 0.479 0.875 0.625 CA 1.358 68 residues pruned to eliminate duplicates Z: 11 21.728 2.008 0.878 0.937 0.900 0.600 CB 1.408 11 residues pruned to eliminate duplicates Z: 13 10.188 1.607 0.431 0.876 1.000 0.750 CB 0.929 13 residues pruned to eliminate duplicates Z: 14 11.287 1.820 0.670 0.836 0.769 0.385 CB 1.003 14 residues pruned to eliminate duplicates Z: 7 2.318 1.338 0.672 0.240 0.667 0.500 CA 0.858 Z: 34 24.592 1.988 0.466 0.577 0.970 0.576 CA 1.407 34 residues pruned to eliminate duplicates Z: 49 35.757 2.057 0.602 0.578 0.979 0.688 CB 1.484 49 residues pruned to eliminate duplicates Z: 43 25.512 1.957 0.716 0.521 0.833 0.381 CB 1.379 43 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 8 2.458 1.623 0.190 0.195 0.571 0.429 N 1.212 8 residues pruned to eliminate duplicates Z: 8 3.784 1.543 0.198 0.267 0.857 0.571 N 1.177 8 residues pruned to eliminate duplicates Z: 7 3.402 1.443 0.273 0.301 0.833 0.333 O 1.133 6 1.872 1.094 0.684 0.336 1.000 1.000 N 0.543 ? Z: 12 7.009 1.680 0.449 0.578 0.818 0.545 CB 0.985 8 residues pruned to eliminate duplicates Z: 9 7.391 1.802 0.485 0.815 0.875 0.750 CB 0.849 9 residues pruned to eliminate duplicates Z: 12 13.128 1.748 0.959 0.528 1.000 0.636 CB 1.125 11 residues pruned to eliminate duplicates Z: 9 13.145 1.800 0.920 0.833 1.000 0.875 CB 1.009 9 residues pruned to eliminate duplicates Z: 8 9.620 1.935 0.520 0.800 1.000 0.714 CB 0.951 8 residues pruned to eliminate duplicates Z: 8 10.948 1.947 0.613 0.834 1.000 0.857 CB 0.988 8 residues pruned to eliminate duplicates Z: 8 10.348 1.948 0.588 0.841 1.000 0.857 CB 0.943 8 residues pruned to eliminate duplicates Z: 10 6.654 1.690 0.518 0.636 0.889 0.667 CB 0.856 10 residues pruned to eliminate duplicates Z: 9 8.400 1.670 0.372 0.728 0.875 0.750 CB 1.206 9 residues pruned to eliminate duplicates Z: 8 9.730 1.805 0.320 0.679 1.000 0.714 CA 1.309 8 residues pruned to eliminate duplicates Z: 9 9.446 1.690 0.596 0.700 0.875 0.625 CA 1.179 8 residues pruned to eliminate duplicates Z: 7 12.762 1.809 0.697 0.785 1.000 0.833 CB 1.321 7 residues pruned to eliminate duplicates Z: 6 9.280 1.860 0.401 0.761 1.000 0.600 CA 1.263 6 residues pruned to eliminate duplicates Z: 11 8.009 1.685 0.565 0.560 0.800 0.600 CB 1.132 11 residues pruned to eliminate duplicates Z: 7 12.158 1.890 0.489 0.803 1.000 0.833 CA 1.353 7 residues pruned to eliminate duplicates Z: 45 21.468 1.783 0.549 0.610 0.886 0.614 CB 1.191 52 residues pruned to eliminate duplicates Z: 13 5.133 1.742 0.656 0.205 0.583 0.500 CB 1.249 7 residues pruned to eliminate duplicates Z: 14 14.394 1.814 0.523 0.724 1.000 0.846 CA 1.181 19 residues pruned to eliminate duplicates Z: 15 10.830 1.717 0.325 0.723 1.000 0.857 CA 1.040 15 residues pruned to eliminate duplicates Z: 33 18.591 1.868 0.563 0.539 0.875 0.656 CA 1.238 33 residues pruned to eliminate duplicates Z: 13 14.799 1.866 0.516 0.694 1.000 0.833 CA 1.265 13 residues pruned to eliminate duplicates Z: 13 13.234 1.764 0.367 0.837 1.000 0.833 CA 1.185 13 residues pruned to eliminate duplicates Z: 20 15.197 1.892 0.557 0.640 0.895 0.632 CB 1.160 13 residues pruned to eliminate duplicates Z: 13 11.151 1.716 0.442 0.776 0.917 0.583 CB 1.112 13 residues pruned to eliminate duplicates Z: 13 15.591 1.893 0.607 0.711 1.000 0.750 CA 1.222 13 residues pruned to eliminate duplicates Z: 12 15.045 1.921 0.573 0.774 0.909 0.727 CA 1.295 12 residues pruned to eliminate duplicates Z: 14 13.257 1.765 0.617 0.730 0.923 0.538 CA 1.135 14 residues pruned to eliminate duplicates Z: 23 14.646 1.733 0.636 0.525 0.818 0.409 CA 1.313 23 residues pruned to eliminate duplicates Z: 44 24.008 1.848 0.667 0.595 0.884 0.698 CB 1.228 44 residues pruned to eliminate duplicates Z: 18 22.359 2.061 0.538 0.706 1.000 0.588 CA 1.419 18 residues pruned to eliminate duplicates Z: 14 27.696 2.166 0.969 0.742 1.000 0.615 CA 1.450 12 residues pruned to eliminate duplicates Z: 14 30.242 2.182 0.657 0.922 1.000 0.769 CA 1.632 14 residues pruned to eliminate duplicates Z: 49 33.947 2.037 0.718 0.623 0.917 0.521 CA 1.360 48 residues pruned to eliminate duplicates Z: 13 23.260 2.172 0.677 0.918 0.917 0.583 CA 1.418 15 residues pruned to eliminate duplicates Z: 16 35.232 2.083 1.013 0.881 1.000 0.600 CA 1.570 16 residues pruned to eliminate duplicates Z: 14 34.779 2.181 1.089 0.921 1.000 0.615 CA 1.489 14 residues pruned to eliminate duplicates Z: 16 28.501 2.090 0.725 0.864 1.000 0.733 CA 1.495 16 residues pruned to eliminate duplicates Z: 17 25.050 2.112 0.871 0.721 0.875 0.438 CA 1.484 17 residues pruned to eliminate duplicates Z: 46 36.858 2.069 0.712 0.637 0.933 0.444 CB 1.462 46 residues pruned to eliminate duplicates Z: 47 34.886 2.055 0.785 0.617 0.891 0.500 CA 1.409 47 residues pruned to eliminate duplicates Z: 43 37.694 2.067 0.858 0.649 0.952 0.452 CA 1.385 43 residues pruned to eliminate duplicates Z: 51 34.503 2.047 0.630 0.589 0.940 0.540 CA 1.429 51 residues pruned to eliminate duplicates Z: 32 29.605 2.128 0.569 0.608 1.000 0.677 CA 1.437 32 residues pruned to eliminate duplicates Z: 41 35.054 2.081 0.817 0.680 0.900 0.525 CA 1.380 40 residues pruned to eliminate duplicates Z: 7 9.839 2.010 0.498 0.676 1.000 0.667 CA 1.134 7 residues pruned to eliminate duplicates Z: 52 32.153 2.030 0.678 0.583 0.882 0.451 CA 1.383 52 residues pruned to eliminate duplicates Z: 50 35.639 2.066 0.808 0.570 0.918 0.327 CB 1.388 49 residues pruned to eliminate duplicates Z: 7 6.770 1.722 0.595 0.718 0.833 0.667 CA 0.991 7 residues pruned to eliminate duplicates Z: 28 27.842 2.115 0.742 0.658 0.926 0.630 CA 1.356 28 residues pruned to eliminate duplicates Z: 8 10.739 1.986 0.892 0.452 0.857 0.429 CA 1.324 8 residues pruned to eliminate duplicates Z: 45 33.674 2.100 0.808 0.616 0.909 0.455 CA 1.317 45 residues pruned to eliminate duplicates Z: 31 22.979 2.023 0.718 0.487 0.900 0.367 CB 1.359 31 residues pruned to eliminate duplicates Z: 46 37.490 2.053 0.825 0.627 0.956 0.467 CA 1.386 46 residues pruned to eliminate duplicates Z: 47 36.906 2.083 0.743 0.623 0.935 0.565 CA 1.427 47 residues pruned to eliminate duplicates Z: 50 35.275 2.086 0.735 0.607 0.918 0.490 CA 1.370 50 residues pruned to eliminate duplicates Z: 46 37.525 2.080 0.738 0.620 0.978 0.489 CA 1.413 46 residues pruned to eliminate duplicates Z: 50 22.351 1.870 0.490 0.430 0.898 0.510 CA 1.373 50 residues pruned to eliminate duplicates Z: 51 29.768 2.037 0.544 0.539 0.940 0.520 CA 1.370 51 residues pruned to eliminate duplicates Z: 77 38.660 2.055 0.640 0.530 0.895 0.513 CB 1.427 77 residues pruned to eliminate duplicates Z: 51 36.820 2.059 0.720 0.581 0.960 0.540 CA 1.417 51 residues pruned to eliminate duplicates Z: 50 32.975 2.039 0.657 0.562 0.918 0.469 CA 1.429 50 residues pruned to eliminate duplicates Z: 32 18.799 1.928 0.515 0.440 0.871 0.387 CA 1.412 32 residues pruned to eliminate duplicates Z: 47 34.756 2.038 0.803 0.586 0.935 0.478 CA 1.374 47 residues pruned to eliminate duplicates Z: 10 7.742 1.849 0.397 0.452 1.000 0.667 CB 1.049 10 residues pruned to eliminate duplicates Z: 12 6.804 1.883 0.356 0.453 0.818 0.364 CB 1.030 12 residues pruned to eliminate duplicates Z: 8 5.527 1.902 0.146 0.397 0.857 0.429 CA 1.247 8 residues pruned to eliminate duplicates Z: 9 8.643 1.917 0.654 0.426 0.875 0.625 CA 1.189 9 residues pruned to eliminate duplicates Z: 76 39.827 2.054 0.711 0.518 0.907 0.573 CB 1.417 76 residues pruned to eliminate duplicates Z: 10 7.489 2.015 0.366 0.408 0.778 0.667 CB 1.284 10 residues pruned to eliminate duplicates Z: 8 7.469 1.984 0.362 0.421 1.000 0.714 CA 1.135 8 residues pruned to eliminate duplicates Z: 38 24.047 2.055 0.571 0.457 0.919 0.595 CB 1.394 38 residues pruned to eliminate duplicates Z: 22 18.296 1.994 0.445 0.561 0.905 0.619 CA 1.444 22 residues pruned to eliminate duplicates Z: 35 23.334 2.020 0.513 0.457 0.971 0.529 CB 1.409 38 residues pruned to eliminate duplicates Z: 6 3.198 1.759 0.110 0.406 0.800 0.600 CB 1.011 6 residues pruned to eliminate duplicates Z: 38 20.597 1.984 0.533 0.414 0.892 0.595 CB 1.366 37 residues pruned to eliminate duplicates Z: 16 15.663 1.903 0.560 0.721 0.867 0.667 CB 1.288 16 residues pruned to eliminate duplicates Z: 36 21.056 2.001 0.527 0.411 0.857 0.400 CA 1.491 36 residues pruned to eliminate duplicates Z: 28 22.676 2.023 0.581 0.508 0.889 0.667 CB 1.522 28 residues pruned to eliminate duplicates Z: 33 24.109 2.020 0.576 0.479 0.938 0.531 CB 1.458 33 residues pruned to eliminate duplicates Z: 33 18.453 2.042 0.423 0.440 0.812 0.531 CA 1.471 33 residues pruned to eliminate duplicates Z: 30 18.776 1.972 0.464 0.452 0.931 0.517 CB 1.361 30 residues pruned to eliminate duplicates Z: 25 20.035 1.964 0.565 0.461 0.917 0.583 CA 1.511 25 residues pruned to eliminate duplicates Z: 15 17.708 1.853 0.745 0.741 0.929 0.571 CA 1.271 15 residues pruned to eliminate duplicates Z: 35 21.018 2.013 0.474 0.461 0.882 0.588 CB 1.433 35 residues pruned to eliminate duplicates Z: 33 23.018 2.047 0.515 0.471 0.906 0.469 CB 1.492 34 residues pruned to eliminate duplicates Z: 10 10.326 1.943 0.653 0.740 0.778 0.667 CA 1.111 10 residues pruned to eliminate duplicates Z: 32 23.640 2.078 0.518 0.465 0.935 0.548 CB 1.492 33 residues pruned to eliminate duplicates Z: 15 17.097 1.909 0.609 0.665 1.000 0.500 CA 1.277 15 residues pruned to eliminate duplicates Z: 35 22.573 2.060 0.523 0.466 0.882 0.618 CB 1.448 35 residues pruned to eliminate duplicates Z: 23 20.463 2.030 0.600 0.458 0.955 0.636 CA 1.468 23 residues pruned to eliminate duplicates Z: 35 21.320 2.051 0.457 0.446 0.912 0.559 CB 1.418 35 residues pruned to eliminate duplicates Z: 19 11.991 1.800 0.567 0.335 0.889 0.444 CB 1.350 19 residues pruned to eliminate duplicates Z: 18 14.016 2.006 0.675 0.290 0.882 0.647 CA 1.451 18 residues pruned to eliminate duplicates Z: 29 22.579 2.095 0.565 0.489 0.857 0.643 CA 1.536 29 residues pruned to eliminate duplicates Z: 32 20.037 2.053 0.474 0.420 0.871 0.581 CA 1.484 32 residues pruned to eliminate duplicates Z: 29 21.524 2.075 0.532 0.457 0.893 0.571 CA 1.496 29 residues pruned to eliminate duplicates Z: 34 21.630 2.015 0.543 0.425 0.909 0.576 CB 1.440 34 residues pruned to eliminate duplicates Z: 15 15.474 2.073 0.525 0.334 1.000 0.786 CB 1.568 15 residues pruned to eliminate duplicates Z: 34 20.856 2.021 0.412 0.425 0.939 0.545 CB 1.465 34 residues pruned to eliminate duplicates Z: 29 26.170 2.072 0.727 0.459 0.929 0.643 CB 1.551 29 residues pruned to eliminate duplicates Z: 10 7.559 1.475 0.930 0.780 0.778 0.444 CB 0.889 10 residues pruned to eliminate duplicates Z: 9 10.966 1.680 0.684 0.754 1.000 0.625 CA 1.093 9 residues pruned to eliminate duplicates Z: 16 11.673 1.642 0.665 0.701 0.867 0.533 CB 1.059 13 residues pruned to eliminate duplicates Z: 12 13.818 1.630 0.693 0.863 1.000 0.636 CA 1.107 16 residues pruned to eliminate duplicates Z: 12 13.937 1.708 0.842 0.897 0.909 0.455 CB 1.052 11 residues pruned to eliminate duplicates Z: 12 13.992 1.713 0.849 0.900 0.909 0.636 CA 1.047 12 residues pruned to eliminate duplicates Z: 10 8.963 1.739 0.632 0.726 0.778 0.556 CB 1.103 10 residues pruned to eliminate duplicates Z: 12 11.912 1.713 0.767 0.793 0.818 0.364 CB 1.122 12 residues pruned to eliminate duplicates Z: 35 19.709 1.788 0.598 0.586 0.912 0.559 CA 1.194 37 residues pruned to eliminate duplicates Z: 12 9.808 1.670 0.810 0.839 0.727 0.182 CA 1.004 12 residues pruned to eliminate duplicates Z: 38 25.132 1.797 0.632 0.663 0.973 0.649 CA 1.245 38 residues pruned to eliminate duplicates Z: 38 22.139 1.785 0.607 0.623 0.919 0.459 CA 1.229 38 residues pruned to eliminate duplicates Z: 36 19.657 1.827 0.518 0.648 0.857 0.600 CA 1.217 36 residues pruned to eliminate duplicates Z: 36 23.531 1.837 0.531 0.673 0.971 0.600 CA 1.241 36 residues pruned to eliminate duplicates Z: 36 23.287 1.762 0.738 0.554 0.971 0.429 CB 1.255 36 residues pruned to eliminate duplicates Z: 37 27.701 1.812 0.746 0.654 0.972 0.556 CA 1.300 36 residues pruned to eliminate duplicates Z: 21 13.277 1.899 0.302 0.675 0.950 0.650 CA 1.076 21 residues pruned to eliminate duplicates Z: 43 23.817 1.755 0.656 0.599 0.905 0.571 CA 1.271 42 residues pruned to eliminate duplicates Z: 9 6.778 1.447 0.591 0.540 0.875 0.500 CA 1.143 9 residues pruned to eliminate duplicates Z: 36 24.706 1.857 0.663 0.644 0.943 0.600 CA 1.253 36 residues pruned to eliminate duplicates Z: 37 29.186 1.819 0.848 0.661 0.972 0.667 CA 1.282 37 residues pruned to eliminate duplicates Z: 24 15.482 1.754 0.547 0.457 0.957 0.565 CA 1.300 24 residues pruned to eliminate duplicates Z: 22 15.135 1.804 0.485 0.540 0.952 0.619 CA 1.245 24 residues pruned to eliminate duplicates Z: 13 20.243 1.888 0.597 0.829 1.000 0.750 CA 1.458 13 residues pruned to eliminate duplicates Z: 12 14.228 1.900 0.190 0.883 1.000 0.909 CA 1.371 12 residues pruned to eliminate duplicates Z: 27 17.390 1.762 0.447 0.528 1.000 0.538 CA 1.302 27 residues pruned to eliminate duplicates Z: 38 26.261 1.793 0.639 0.675 0.946 0.649 CA 1.322 38 residues pruned to eliminate duplicates Z: 27 23.135 1.813 0.745 0.605 0.923 0.577 CA 1.407 27 residues pruned to eliminate duplicates Z: 37 26.094 1.832 0.643 0.695 0.972 0.722 CA 1.244 37 residues pruned to eliminate duplicates Z: 28 20.062 1.794 0.753 0.561 0.926 0.667 CA 1.250 28 residues pruned to eliminate duplicates Z: 28 20.207 1.784 0.666 0.560 0.889 0.593 CA 1.388 28 residues pruned to eliminate duplicates Z: 29 19.164 1.741 0.725 0.544 0.929 0.536 CA 1.244 29 residues pruned to eliminate duplicates Z: 33 21.541 1.791 0.596 0.619 0.906 0.562 CA 1.314 33 residues pruned to eliminate duplicates Z: 21 18.904 1.805 0.531 0.576 0.950 0.700 CA 1.496 21 residues pruned to eliminate duplicates Z: 61 28.647 1.833 0.556 0.606 0.933 0.667 CA 1.256 62 residues pruned to eliminate duplicates Z: 12 14.748 1.756 0.712 0.797 0.818 0.727 CA 1.393 12 residues pruned to eliminate duplicates Z: 62 26.953 1.821 0.531 0.621 0.918 0.607 CA 1.203 62 residues pruned to eliminate duplicates Z: 25 13.902 1.872 0.380 0.593 0.958 0.583 CA 1.049 25 residues pruned to eliminate duplicates Z: 38 20.747 1.829 0.632 0.485 0.865 0.568 CA 1.341 38 residues pruned to eliminate duplicates Z: 52 26.096 1.822 0.615 0.578 0.922 0.588 CA 1.250 52 residues pruned to eliminate duplicates Z: 52 19.857 1.806 0.510 0.513 0.863 0.647 CA 1.167 52 residues pruned to eliminate duplicates Z: 22 14.856 1.888 0.443 0.633 0.952 0.857 CA 1.103 22 residues pruned to eliminate duplicates Z: 35 16.236 1.838 0.445 0.536 0.882 0.588 CA 1.147 35 residues pruned to eliminate duplicates Z: 61 28.420 1.847 0.643 0.607 0.900 0.583 CA 1.214 61 residues pruned to eliminate duplicates Z: 60 30.129 1.849 0.705 0.613 0.898 0.559 CA 1.244 60 residues pruned to eliminate duplicates Z: 27 15.082 1.821 0.392 0.581 0.962 0.654 CA 1.123 27 residues pruned to eliminate duplicates Z: 25 14.300 1.886 0.366 0.626 0.958 0.667 CA 1.050 25 residues pruned to eliminate duplicates Z: 24 17.595 1.900 0.386 0.661 1.000 0.652 CA 1.200 24 residues pruned to eliminate duplicates Z: 23 16.487 1.935 0.431 0.625 0.955 0.591 CA 1.182 23 residues pruned to eliminate duplicates Z: 63 30.109 1.828 0.640 0.630 0.952 0.581 CA 1.186 64 residues pruned to eliminate duplicates Z: 14 16.209 1.975 0.550 0.877 0.923 0.615 CA 1.156 14 residues pruned to eliminate duplicates Z: 25 13.324 1.893 0.343 0.598 0.917 0.625 CA 1.063 25 residues pruned to eliminate duplicates Z: 45 28.320 2.010 0.581 0.602 0.932 0.614 CB 1.309 45 residues pruned to eliminate duplicates Z: 25 14.678 1.873 0.305 0.587 0.958 0.667 CA 1.178 25 residues pruned to eliminate duplicates Z: 27 14.416 1.843 0.393 0.567 0.962 0.577 CA 1.073 27 residues pruned to eliminate duplicates Z: 24 16.139 1.908 0.470 0.631 0.913 0.696 CA 1.162 24 residues pruned to eliminate duplicates Z: 26 14.091 1.849 0.353 0.552 0.840 0.560 CA 1.275 26 residues pruned to eliminate duplicates Z: 25 15.936 1.874 0.357 0.592 0.958 0.500 CA 1.222 25 residues pruned to eliminate duplicates Z: 24 16.347 1.900 0.444 0.603 0.957 0.609 CA 1.177 24 residues pruned to eliminate duplicates Z: 24 14.454 1.876 0.370 0.601 0.913 0.478 CA 1.167 24 residues pruned to eliminate duplicates Z: 63 31.818 1.822 0.646 0.636 0.968 0.597 CA 1.226 63 residues pruned to eliminate duplicates Z: 9 9.569 1.714 0.860 0.518 1.000 0.500 CA 1.042 9 residues pruned to eliminate duplicates Z: 20 15.809 1.906 0.935 0.345 0.842 0.421 CB 1.383 20 residues pruned to eliminate duplicates Z: 23 20.743 1.999 0.797 0.439 0.955 0.636 CA 1.373 23 residues pruned to eliminate duplicates Z: 28 18.819 1.901 0.668 0.353 0.926 0.444 CB 1.447 28 residues pruned to eliminate duplicates Z: 30 19.432 1.898 0.895 0.409 0.862 0.552 CB 1.280 30 residues pruned to eliminate duplicates Z: 50 31.313 2.053 0.626 0.455 0.959 0.449 CB 1.463 50 residues pruned to eliminate duplicates Z: 46 30.288 2.052 0.687 0.482 0.889 0.444 CB 1.495 46 residues pruned to eliminate duplicates Z: 16 13.235 1.850 0.873 0.378 0.867 0.600 CA 1.297 16 residues pruned to eliminate duplicates Z: 24 18.506 1.879 0.861 0.301 0.957 0.478 CB 1.440 24 residues pruned to eliminate duplicates Z: 24 15.183 1.882 0.868 0.315 0.783 0.565 CB 1.411 24 residues pruned to eliminate duplicates Z: 48 25.974 2.022 0.702 0.455 0.851 0.553 CA 1.354 48 residues pruned to eliminate duplicates Z: 26 22.775 1.986 0.836 0.359 1.000 0.560 CA 1.455 26 residues pruned to eliminate duplicates Z: 27 20.964 1.940 0.862 0.368 0.962 0.538 CA 1.364 27 residues pruned to eliminate duplicates Z: 27 23.594 1.982 0.947 0.416 0.962 0.500 CA 1.361 27 residues pruned to eliminate duplicates Z: 50 33.050 2.049 0.818 0.453 0.918 0.551 CB 1.448 50 residues pruned to eliminate duplicates Z: 28 17.361 1.913 0.760 0.313 0.926 0.481 CB 1.319 28 residues pruned to eliminate duplicates Z: 33 17.806 1.859 0.676 0.343 0.906 0.438 CB 1.321 33 residues pruned to eliminate duplicates Z: 27 18.953 1.962 0.886 0.345 0.846 0.462 CA 1.405 27 residues pruned to eliminate duplicates Z: 50 30.752 2.041 0.777 0.462 0.878 0.592 CA 1.434 50 residues pruned to eliminate duplicates Z: 28 19.286 1.895 0.915 0.348 0.852 0.481 CA 1.417 28 residues pruned to eliminate duplicates Z: 76 35.490 2.006 0.716 0.433 0.907 0.533 CA 1.407 76 residues pruned to eliminate duplicates Z: 28 19.161 1.911 0.804 0.331 0.926 0.556 CA 1.390 28 residues pruned to eliminate duplicates Z: 50 28.573 2.034 0.605 0.420 0.918 0.490 CB 1.480 50 residues pruned to eliminate duplicates Z: 50 32.385 2.054 0.676 0.466 0.959 0.510 CB 1.451 50 residues pruned to eliminate duplicates Z: 26 26.272 2.036 0.675 0.616 0.960 0.680 CA 1.438 26 residues pruned to eliminate duplicates Z: 23 26.012 2.161 0.525 0.637 1.000 0.636 CA 1.480 23 residues pruned to eliminate duplicates Z: 21 25.016 2.121 0.768 0.645 1.000 0.600 CA 1.303 21 residues pruned to eliminate duplicates Z: 23 28.848 2.170 0.702 0.641 1.000 0.727 CA 1.460 23 residues pruned to eliminate duplicates Z: 49 30.607 2.032 0.739 0.495 0.896 0.604 CB 1.403 49 residues pruned to eliminate duplicates Z: 24 25.285 2.031 0.704 0.590 0.957 0.739 CB 1.461 24 residues pruned to eliminate duplicates Z: 24 25.951 2.049 0.911 0.591 0.957 0.652 CA 1.324 24 residues pruned to eliminate duplicates Z: 25 24.759 2.044 0.760 0.594 0.958 0.625 CA 1.341 25 residues pruned to eliminate duplicates Z: 51 30.451 2.025 0.765 0.435 0.880 0.540 CB 1.464 51 residues pruned to eliminate duplicates Z: 21 27.927 2.172 0.813 0.659 0.950 0.600 CA 1.441 21 residues pruned to eliminate duplicates Z: 23 25.073 2.117 0.683 0.593 0.955 0.591 CB 1.437 23 residues pruned to eliminate duplicates Z: 47 27.988 2.010 0.744 0.460 0.826 0.500 CA 1.485 47 residues pruned to eliminate duplicates Z: 24 29.249 2.147 0.736 0.648 0.957 0.696 CA 1.489 24 residues pruned to eliminate duplicates Z: 25 23.902 2.049 0.642 0.607 0.958 0.625 CA 1.366 25 residues pruned to eliminate duplicates Z: 23 26.028 2.143 0.571 0.614 1.000 0.636 CA 1.479 23 residues pruned to eliminate duplicates Z: 26 23.792 2.084 0.641 0.574 0.920 0.560 CB 1.408 26 residues pruned to eliminate duplicates Z: 60 33.294 2.069 0.538 0.501 0.932 0.542 CA 1.459 60 residues pruned to eliminate duplicates Z: 47 29.889 2.032 0.688 0.489 0.957 0.565 CA 1.357 47 residues pruned to eliminate duplicates Z: 72 35.010 2.032 0.693 0.420 0.944 0.549 CA 1.391 72 residues pruned to eliminate duplicates Z: 25 21.857 2.044 0.601 0.583 0.917 0.583 CA 1.373 25 residues pruned to eliminate duplicates Z: 62 35.300 2.043 0.564 0.558 0.934 0.656 CA 1.430 62 residues pruned to eliminate duplicates Z: 46 29.696 2.044 0.618 0.507 0.911 0.644 CA 1.458 46 residues pruned to eliminate duplicates Z: 29 15.898 1.912 0.377 0.466 0.964 0.571 CA 1.226 29 residues pruned to eliminate duplicates Z: 54 37.914 2.092 0.615 0.567 0.981 0.604 CA 1.473 54 residues pruned to eliminate duplicates Z: 54 39.547 2.086 0.752 0.578 0.925 0.604 CA 1.491 54 residues pruned to eliminate duplicates Z: 73 38.261 2.006 0.753 0.464 0.931 0.569 CA 1.429 73 residues pruned to eliminate duplicates Z: 45 30.017 2.043 0.634 0.513 0.932 0.568 CA 1.436 45 residues pruned to eliminate duplicates Z: 54 33.165 2.060 0.582 0.570 0.962 0.698 CA 1.357 54 residues pruned to eliminate duplicates Z: 37 25.164 2.010 0.657 0.491 0.917 0.611 CA 1.387 37 residues pruned to eliminate duplicates Z: 47 31.148 2.019 0.704 0.472 0.957 0.522 CB 1.437 47 residues pruned to eliminate duplicates Z: 74 36.823 1.996 0.677 0.447 0.945 0.493 CA 1.439 56 residues pruned to eliminate duplicates Z: 6 3.979 1.466 0.602 0.310 0.800 0.200 CA 1.170 6 residues pruned to eliminate duplicates Z: 38 26.265 2.040 0.622 0.505 0.946 0.541 CA 1.372 38 residues pruned to eliminate duplicates Z: 66 35.479 2.037 0.691 0.442 0.938 0.477 CA 1.445 66 residues pruned to eliminate duplicates Z: 21 19.620 1.973 0.417 0.730 0.950 0.800 CA 1.342 21 residues pruned to eliminate duplicates Z: 79 35.354 1.972 0.759 0.422 0.936 0.590 CA 1.337 79 residues pruned to eliminate duplicates Z: 11 12.415 1.986 0.579 0.532 0.900 0.500 CB 1.348 11 residues pruned to eliminate duplicates Z: 53 40.782 2.099 0.729 0.597 0.981 0.615 CA 1.448 53 residues pruned to eliminate duplicates Z: 87 40.675 2.033 0.747 0.463 0.895 0.570 CA 1.433 87 residues pruned to eliminate duplicates Z: 9 17.941 2.060 0.892 0.565 1.000 0.625 CA 1.528 9 residues pruned to eliminate duplicates Z: 24 21.619 2.026 0.660 0.556 0.913 0.565 CA 1.390 24 residues pruned to eliminate duplicates Z: 78 42.993 2.049 0.855 0.480 0.922 0.636 CA 1.426 78 residues pruned to eliminate duplicates Z: 20 25.886 2.070 0.709 0.667 1.000 0.474 CA 1.438 20 residues pruned to eliminate duplicates Z: 61 38.010 2.049 0.703 0.508 0.933 0.600 CB 1.495 61 residues pruned to eliminate duplicates Z: 20 26.862 2.098 0.764 0.706 0.947 0.684 CB 1.458 20 residues pruned to eliminate duplicates Z: 20 25.357 2.058 0.864 0.673 0.947 0.474 CB 1.366 20 residues pruned to eliminate duplicates Z: 28 17.436 2.010 0.727 0.436 0.852 0.444 CB 1.212 28 residues pruned to eliminate duplicates Z: 20 22.950 1.993 0.996 0.615 0.895 0.263 CB 1.327 20 residues pruned to eliminate duplicates Z: 25 25.549 2.077 0.767 0.615 0.958 0.500 CB 1.330 25 residues pruned to eliminate duplicates Z: 26 21.534 2.062 0.616 0.534 0.920 0.480 CB 1.358 26 residues pruned to eliminate duplicates Z: 24 20.270 2.048 0.705 0.536 0.913 0.522 CB 1.280 24 residues pruned to eliminate duplicates Z: 27 18.776 1.979 0.544 0.517 0.885 0.500 CB 1.339 27 residues pruned to eliminate duplicates Z: 8 2.831 1.658 0.125 0.205 0.857 0.286 CB 0.950 8 residues pruned to eliminate duplicates Z: 9 3.387 1.741 0.438 0.322 0.750 0.375 CB 0.776 Z: 6 3.106 1.522 1.057 0.451 0.800 0.600 CB 0.583 Z: 6 3.987 1.316 0.785 0.451 0.800 0.600 N 0.997 6 residues pruned to eliminate duplicates Z: 24 11.482 1.696 0.396 0.351 0.957 0.522 CB 1.243 25 residues pruned to eliminate duplicates Z: 9 4.990 1.604 0.342 0.410 0.750 0.500 CA 1.201 9 residues pruned to eliminate duplicates Z: 14 10.406 1.711 0.597 0.454 0.923 0.538 CA 1.199 14 residues pruned to eliminate duplicates Z: 16 10.900 1.657 0.604 0.487 0.867 0.600 CA 1.238 16 residues pruned to eliminate duplicates Z: 13 9.706 1.712 0.557 0.505 0.917 0.667 CA 1.142 13 residues pruned to eliminate duplicates Z: 13 10.637 1.781 0.509 0.501 0.917 0.500 CA 1.246 13 residues pruned to eliminate duplicates Z: 13 10.293 1.725 0.599 0.435 0.917 0.750 CA 1.257 13 residues pruned to eliminate duplicates Z: 15 11.833 1.645 0.764 0.433 0.929 0.571 CA 1.258 15 residues pruned to eliminate duplicates Z: 43 24.092 1.841 0.663 0.496 0.881 0.595 CA 1.383 43 residues pruned to eliminate duplicates Z: 18 10.990 1.635 0.654 0.456 0.882 0.471 CA 1.169 18 residues pruned to eliminate duplicates Z: 16 8.931 1.751 0.442 0.385 0.867 0.467 CB 1.190 16 residues pruned to eliminate duplicates Z: 16 8.292 1.703 0.599 0.407 0.800 0.467 CB 1.084 16 residues pruned to eliminate duplicates Z: 27 13.098 1.726 0.489 0.416 0.885 0.577 CB 1.234 27 residues pruned to eliminate duplicates Z: 15 8.645 1.775 0.483 0.407 0.857 0.571 CB 1.129 15 residues pruned to eliminate duplicates Z: 47 24.642 2.004 0.529 0.449 0.935 0.543 CB 1.335 47 residues pruned to eliminate duplicates Z: 10 7.033 1.878 0.412 0.280 1.000 0.778 CB 1.134 10 residues pruned to eliminate duplicates Z: 13 6.995 1.776 0.473 0.281 1.000 0.583 CB 0.989 13 residues pruned to eliminate duplicates Z: 13 6.662 1.838 0.314 0.267 0.917 0.500 CB 1.132 13 residues pruned to eliminate duplicates Z: 15 10.280 1.769 0.621 0.362 0.929 0.357 CB 1.197 15 residues pruned to eliminate duplicates Z: 25 8.815 1.714 0.541 0.271 0.917 0.333 CB 0.965 25 residues pruned to eliminate duplicates Z: 14 7.214 1.758 0.523 0.341 0.846 0.308 CB 1.050 14 residues pruned to eliminate duplicates Z: 39 20.726 1.981 0.378 0.479 0.947 0.500 CB 1.328 39 residues pruned to eliminate duplicates Z: 33 20.043 1.900 0.656 0.527 0.875 0.562 CB 1.253 33 residues pruned to eliminate duplicates Z: 51 22.117 1.974 0.477 0.433 0.880 0.540 CB 1.306 51 residues pruned to eliminate duplicates Z: 31 17.031 1.845 0.429 0.526 0.933 0.567 CA 1.232 31 residues pruned to eliminate duplicates Z: 37 22.296 2.030 0.370 0.496 0.972 0.556 CB 1.380 37 residues pruned to eliminate duplicates Z: 36 22.216 2.064 0.390 0.472 0.943 0.657 CB 1.428 36 residues pruned to eliminate duplicates Z: 20 23.388 1.963 0.698 0.711 0.947 0.632 CA 1.403 20 residues pruned to eliminate duplicates Z: 37 20.791 2.047 0.369 0.455 0.917 0.528 CB 1.413 37 residues pruned to eliminate duplicates Z: 29 19.204 1.921 0.580 0.524 0.893 0.607 CB 1.307 29 residues pruned to eliminate duplicates Z: 34 19.623 1.982 0.532 0.420 0.909 0.576 CB 1.345 34 residues pruned to eliminate duplicates Z: 54 29.985 2.019 0.484 0.573 0.962 0.623 CB 1.332 54 residues pruned to eliminate duplicates Z: 17 24.542 2.036 0.670 0.775 1.000 0.688 CA 1.416 17 residues pruned to eliminate duplicates Z: 47 28.289 2.035 0.434 0.576 0.978 0.609 CB 1.358 47 residues pruned to eliminate duplicates Z: 37 24.020 2.039 0.513 0.494 0.944 0.583 CB 1.382 37 residues pruned to eliminate duplicates Z: 29 16.679 1.925 0.469 0.485 0.893 0.536 CA 1.268 29 residues pruned to eliminate duplicates Z: 46 24.794 2.020 0.569 0.427 0.933 0.600 CB 1.348 46 residues pruned to eliminate duplicates Z: 21 16.978 1.893 0.586 0.593 0.900 0.700 CB 1.285 21 residues pruned to eliminate duplicates Z: 24 20.925 1.992 0.447 0.622 1.000 0.652 CA 1.349 24 residues pruned to eliminate duplicates Z: 57 22.932 1.955 0.458 0.449 0.893 0.518 CB 1.269 57 residues pruned to eliminate duplicates Z: 39 21.552 1.985 0.401 0.464 0.947 0.526 CA 1.377 39 residues pruned to eliminate duplicates Z: 37 22.115 2.020 0.492 0.492 0.944 0.611 CA 1.306 37 residues pruned to eliminate duplicates Z: 52 21.727 1.941 0.433 0.433 0.922 0.510 CB 1.273 52 residues pruned to eliminate duplicates Z: 38 26.004 2.015 0.577 0.504 0.946 0.486 CA 1.417 38 residues pruned to eliminate duplicates Z: 38 25.838 2.013 0.518 0.513 0.973 0.568 CA 1.411 38 residues pruned to eliminate duplicates Z: 38 25.633 2.016 0.607 0.474 0.973 0.514 CB 1.373 38 residues pruned to eliminate duplicates Z: 44 26.130 2.005 0.456 0.528 0.977 0.605 CB 1.360 44 residues pruned to eliminate duplicates Z: 37 27.119 2.027 0.691 0.481 0.972 0.417 CB 1.383 37 residues pruned to eliminate duplicates Z: 53 34.925 2.058 0.564 0.578 0.981 0.577 CA 1.423 53 residues pruned to eliminate duplicates Z: 53 22.812 1.944 0.543 0.464 0.865 0.558 CB 1.264 53 residues pruned to eliminate duplicates Z: 48 24.687 1.981 0.523 0.471 0.915 0.532 CB 1.344 48 residues pruned to eliminate duplicates Z: 37 23.732 2.048 0.579 0.490 0.917 0.417 CB 1.348 37 residues pruned to eliminate duplicates Z: 53 27.803 1.989 0.567 0.510 0.923 0.577 CB 1.327 53 residues pruned to eliminate duplicates Z: 47 22.480 1.997 0.495 0.449 0.913 0.500 CB 1.280 47 residues pruned to eliminate duplicates Z: 39 22.191 1.985 0.511 0.496 0.921 0.579 CB 1.309 39 residues pruned to eliminate duplicates Z: 37 18.903 1.935 0.589 0.437 0.944 0.528 CB 1.157 37 residues pruned to eliminate duplicates Z: 38 25.010 2.012 0.607 0.485 0.892 0.486 CA 1.448 38 residues pruned to eliminate duplicates Z: 39 24.063 2.043 0.529 0.490 0.921 0.553 CB 1.370 39 residues pruned to eliminate duplicates Z: 37 24.706 2.030 0.582 0.526 0.972 0.639 CB 1.285 37 residues pruned to eliminate duplicates Z: 28 11.211 1.854 0.339 0.336 0.889 0.593 CB 1.169 28 residues pruned to eliminate duplicates Z: 65 24.880 1.940 0.524 0.419 0.906 0.562 CB 1.263 65 residues pruned to eliminate duplicates Z: 26 14.215 1.920 0.393 0.361 0.960 0.480 CA 1.286 26 residues pruned to eliminate duplicates Z: 29 14.978 1.839 0.507 0.543 0.964 0.536 CB 1.016 29 residues pruned to eliminate duplicates Z: 39 17.968 1.874 0.426 0.474 0.947 0.474 CB 1.182 39 residues pruned to eliminate duplicates Z: 54 31.177 1.992 0.545 0.574 0.962 0.679 CB 1.346 54 residues pruned to eliminate duplicates Z: 37 19.431 1.899 0.607 0.504 0.972 0.500 CB 1.086 36 residues pruned to eliminate duplicates Z: 18 15.069 1.817 0.547 0.790 0.941 0.647 CA 1.070 18 residues pruned to eliminate duplicates Z: 40 17.672 1.840 0.374 0.499 0.974 0.615 CB 1.150 40 residues pruned to eliminate duplicates Z: 49 21.726 1.865 0.593 0.442 0.958 0.562 CB 1.169 48 residues pruned to eliminate duplicates Z: 6 3.411 1.701 0.329 0.319 0.800 0.600 CB 1.030 6 residues pruned to eliminate duplicates Z: 15 10.563 2.043 0.197 0.396 1.000 0.571 CB 1.288 15 residues pruned to eliminate duplicates Z: 10 3.030 1.635 0.224 0.230 0.778 0.222 CB 0.888 Z: 6 4.078 1.704 0.621 0.324 0.800 0.800 CA 1.001 6 residues pruned to eliminate duplicates Z: 21 25.290 2.098 0.728 0.713 0.950 0.650 CA 1.354 21 residues pruned to eliminate duplicates Z: 40 29.997 2.069 0.706 0.526 0.923 0.564 CB 1.438 40 residues pruned to eliminate duplicates Z: 21 28.898 2.086 0.855 0.732 1.000 0.650 CA 1.356 21 residues pruned to eliminate duplicates Z: 19 29.102 2.158 0.791 0.779 0.944 0.611 CA 1.469 19 residues pruned to eliminate duplicates Z: 21 30.188 2.165 0.883 0.678 0.950 0.600 CA 1.479 21 residues pruned to eliminate duplicates Z: 21 32.241 2.128 0.966 0.708 1.000 0.650 CA 1.427 21 residues pruned to eliminate duplicates Z: 20 30.965 2.146 0.700 0.752 1.000 0.684 CA 1.555 20 residues pruned to eliminate duplicates Z: 51 25.270 1.954 0.545 0.452 0.920 0.460 CA 1.352 51 residues pruned to eliminate duplicates Z: 21 27.625 2.120 0.807 0.692 0.900 0.500 CB 1.504 21 residues pruned to eliminate duplicates Z: 55 36.397 2.008 0.734 0.601 0.963 0.648 CA 1.342 55 residues pruned to eliminate duplicates Z: 14 29.666 2.096 1.089 0.850 0.923 0.385 CA 1.507 14 residues pruned to eliminate duplicates Z: 20 30.182 2.144 0.911 0.742 0.947 0.526 CB 1.437 20 residues pruned to eliminate duplicates Z: 54 28.433 1.976 0.571 0.586 0.906 0.453 CB 1.280 54 residues pruned to eliminate duplicates Z: 21 30.333 2.117 0.913 0.691 0.950 0.400 CB 1.480 21 residues pruned to eliminate duplicates Z: 15 27.420 2.134 0.749 0.882 1.000 0.643 CA 1.421 15 residues pruned to eliminate duplicates Z: 15 15.428 1.981 0.439 0.787 0.929 0.643 CA 1.210 15 residues pruned to eliminate duplicates Z: 65 32.314 2.008 0.550 0.499 0.938 0.484 CB 1.385 65 residues pruned to eliminate duplicates Z: 54 38.253 2.067 0.685 0.612 0.962 0.528 CB 1.410 54 residues pruned to eliminate duplicates Z: 51 28.426 2.030 0.563 0.535 0.880 0.520 CB 1.390 51 residues pruned to eliminate duplicates Z: 56 28.932 2.000 0.517 0.555 0.891 0.473 CB 1.368 56 residues pruned to eliminate duplicates Z: 21 19.474 1.912 0.740 0.602 0.850 0.200 CB 1.398 21 residues pruned to eliminate duplicates Z: 53 35.149 2.065 0.563 0.575 0.962 0.423 CB 1.460 53 residues pruned to eliminate duplicates Z: 19 27.252 2.001 0.752 0.706 1.000 0.167 CB 1.520 19 residues pruned to eliminate duplicates Z: 53 37.178 2.055 0.648 0.600 0.962 0.442 CB 1.440 54 residues pruned to eliminate duplicates Z: 16 28.790 1.909 0.978 0.906 1.000 0.600 CA 1.401 15 residues pruned to eliminate duplicates Z: 15 31.469 1.999 1.032 0.913 1.000 0.286 CB 1.466 15 residues pruned to eliminate duplicates Z: 14 27.663 2.045 1.159 0.908 0.923 0.462 CB 1.337 14 residues pruned to eliminate duplicates Z: 15 29.604 2.018 1.028 0.901 1.000 0.500 CB 1.380 15 residues pruned to eliminate duplicates Z: 9 12.725 1.849 0.746 0.659 0.875 0.625 CA 1.374 7 residues pruned to eliminate duplicates Z: 8 12.336 1.967 0.386 0.835 1.000 0.857 CA 1.282 8 residues pruned to eliminate duplicates Z: 45 30.894 2.003 0.572 0.603 0.932 0.682 CB 1.438 45 residues pruned to eliminate duplicates Z: 8 9.394 1.872 0.504 0.540 1.000 0.571 CB 1.212 8 residues pruned to eliminate duplicates Z: 10 9.062 1.682 0.718 0.505 0.889 0.444 CA 1.170 10 residues pruned to eliminate duplicates Z: 9 7.001 1.715 0.825 0.574 0.875 0.375 CA 0.842 9 residues pruned to eliminate duplicates Z: 10 5.875 1.713 0.228 0.563 0.889 0.444 CB 0.985 10 residues pruned to eliminate duplicates Z: 9 5.155 1.794 0.415 0.628 0.750 0.750 CB 0.848 9 residues pruned to eliminate duplicates Z: 7 10.898 1.984 0.679 0.786 0.833 0.333 CB 1.246 7 residues pruned to eliminate duplicates Z: 10 8.469 1.600 0.513 0.785 0.889 0.556 CB 1.021 9 residues pruned to eliminate duplicates Z: 6 9.981 1.963 0.401 0.747 1.000 0.400 CA 1.302 6 residues pruned to eliminate duplicates Z: 11 9.919 1.749 0.525 0.690 0.900 0.700 CA 1.097 10 residues pruned to eliminate duplicates Z: 11 10.156 1.710 0.601 0.634 0.900 0.700 CA 1.149 11 residues pruned to eliminate duplicates Z: 15 8.902 1.696 0.498 0.621 0.857 0.786 CA 0.975 15 residues pruned to eliminate duplicates Z: 14 9.623 1.718 0.487 0.702 0.769 0.769 CA 1.130 14 residues pruned to eliminate duplicates Z: 14 9.865 1.719 0.520 0.743 0.769 0.769 CA 1.096 14 residues pruned to eliminate duplicates Z: 14 8.843 1.690 0.335 0.711 0.923 0.846 CA 0.972 14 residues pruned to eliminate duplicates Z: 7 7.257 1.758 0.448 0.810 0.833 0.500 CA 1.066 7 residues pruned to eliminate duplicates Z: 12 9.321 1.670 0.707 0.553 0.818 0.636 CA 1.144 12 residues pruned to eliminate duplicates Z: 39 19.628 1.745 0.542 0.559 0.947 0.605 CB 1.179 39 residues pruned to eliminate duplicates Z: 15 11.275 1.917 0.628 0.440 0.857 0.643 CA 1.199 15 residues pruned to eliminate duplicates Z: 15 14.812 1.918 0.698 0.508 0.929 0.857 CA 1.298 15 residues pruned to eliminate duplicates Z: 32 13.451 1.782 0.466 0.450 0.871 0.645 CA 1.118 32 residues pruned to eliminate duplicates Z: 16 8.316 1.740 0.471 0.368 0.933 0.533 CA 1.035 16 residues pruned to eliminate duplicates Z: 30 22.742 1.910 0.663 0.580 0.966 0.724 CA 1.275 30 residues pruned to eliminate duplicates Z: 31 17.421 1.870 0.701 0.503 0.900 0.600 CA 1.107 31 residues pruned to eliminate duplicates Z: 15 15.513 1.941 0.670 0.504 0.929 0.714 CA 1.372 15 residues pruned to eliminate duplicates Z: 45 22.134 1.845 0.602 0.549 0.909 0.705 CA 1.184 45 residues pruned to eliminate duplicates Z: 25 24.778 2.034 0.811 0.601 0.958 0.583 CB 1.301 25 residues pruned to eliminate duplicates Z: 28 28.402 2.048 0.790 0.629 0.963 0.667 CA 1.372 28 residues pruned to eliminate duplicates Z: 61 36.308 2.024 0.622 0.531 0.967 0.633 CA 1.432 61 residues pruned to eliminate duplicates Z: 32 21.958 1.917 0.627 0.546 0.903 0.581 CA 1.339 32 residues pruned to eliminate duplicates Z: 32 27.562 2.019 0.784 0.606 0.968 0.677 CA 1.284 32 residues pruned to eliminate duplicates Z: 62 24.584 1.916 0.453 0.494 0.836 0.492 CA 1.361 61 residues pruned to eliminate duplicates Z: 10 19.071 1.994 1.149 0.879 1.000 0.778 CA 1.076 10 residues pruned to eliminate duplicates Z: 24 23.153 2.029 0.808 0.560 0.957 0.609 CA 1.298 24 residues pruned to eliminate duplicates Z: 10 20.968 2.123 1.068 0.792 1.000 0.444 CA 1.232 10 residues pruned to eliminate duplicates Z: 15 21.231 2.099 0.739 0.721 1.000 0.571 CB 1.273 15 residues pruned to eliminate duplicates Z: 26 15.901 2.004 0.554 0.549 0.880 0.560 CA 1.106 26 residues pruned to eliminate duplicates Z: 21 20.915 2.071 0.877 0.624 0.900 0.700 CB 1.190 21 residues pruned to eliminate duplicates Z: 32 22.056 1.964 0.615 0.572 0.968 0.677 CA 1.204 32 residues pruned to eliminate duplicates Z: 34 23.699 1.998 0.543 0.602 0.909 0.515 CB 1.335 34 residues pruned to eliminate duplicates Z: 48 28.078 2.004 0.571 0.503 0.936 0.596 CB 1.385 48 residues pruned to eliminate duplicates Z: 6 4.547 1.820 0.394 0.417 1.000 0.800 CA 0.874 6 residues pruned to eliminate duplicates Z: 69 30.519 1.920 0.568 0.514 0.912 0.515 CA 1.330 69 residues pruned to eliminate duplicates Z: 8 5.915 1.540 0.223 0.646 0.857 0.286 N 1.209 8 residues pruned to eliminate duplicates Z: 32 20.820 1.965 0.739 0.511 0.774 0.452 CA 1.397 32 residues pruned to eliminate duplicates Z: 62 32.075 1.985 0.618 0.506 0.918 0.590 CA 1.384 62 residues pruned to eliminate duplicates Z: 61 35.758 2.024 0.624 0.519 0.950 0.633 CB 1.451 61 residues pruned to eliminate duplicates Z: 39 16.791 1.917 0.449 0.411 0.789 0.579 CB 1.364 39 residues pruned to eliminate duplicates Z: 26 14.597 1.803 0.559 0.487 0.800 0.480 CB 1.315 26 residues pruned to eliminate duplicates Z: 46 30.793 2.002 0.669 0.499 0.933 0.667 CA 1.474 46 residues pruned to eliminate duplicates Z: 23 17.923 1.965 0.579 0.550 0.864 0.318 CA 1.357 23 residues pruned to eliminate duplicates Z: 17 11.319 1.961 0.619 0.408 0.812 0.312 CA 1.208 17 residues pruned to eliminate duplicates Z: 48 20.530 1.849 0.608 0.427 0.872 0.489 CB 1.245 48 residues pruned to eliminate duplicates Z: 13 7.328 1.810 0.338 0.490 0.917 0.417 CB 0.963 13 residues pruned to eliminate duplicates Z: 10 7.746 1.925 0.221 0.517 0.889 0.667 CB 1.215 10 residues pruned to eliminate duplicates Z: 11 7.689 1.897 0.318 0.533 0.800 0.600 CB 1.177 11 residues pruned to eliminate duplicates Z: 22 11.443 1.817 0.371 0.432 0.810 0.476 CB 1.329 22 residues pruned to eliminate duplicates Z: 28 13.941 1.901 0.601 0.385 0.852 0.593 CB 1.169 28 residues pruned to eliminate duplicates Z: 13 8.398 1.794 0.131 0.626 0.917 0.750 CB 1.157 13 residues pruned to eliminate duplicates Z: 22 15.980 1.807 0.477 0.448 0.952 0.619 CB 1.448 22 residues pruned to eliminate duplicates Z: 34 18.087 1.870 0.632 0.439 0.879 0.424 CA 1.251 34 residues pruned to eliminate duplicates Z: 22 12.977 1.798 0.549 0.446 0.905 0.571 CA 1.189 22 residues pruned to eliminate duplicates Z: 21 15.728 1.840 0.615 0.549 0.900 0.650 CA 1.253 21 residues pruned to eliminate duplicates Z: 61 30.086 1.962 0.716 0.532 0.883 0.633 CA 1.266 61 residues pruned to eliminate duplicates Z: 38 16.576 1.858 0.512 0.424 0.865 0.595 CA 1.214 38 residues pruned to eliminate duplicates Z: 20 9.401 1.780 0.438 0.415 0.737 0.579 CB 1.250 20 residues pruned to eliminate duplicates Z: 32 16.492 1.833 0.585 0.463 0.839 0.484 CA 1.262 32 residues pruned to eliminate duplicates Z: 22 11.036 1.848 0.478 0.395 0.762 0.571 CA 1.292 22 residues pruned to eliminate duplicates Z: 49 24.674 1.927 0.632 0.500 0.896 0.708 CA 1.265 49 residues pruned to eliminate duplicates Z: 23 10.670 1.780 0.401 0.427 0.909 0.727 CA 1.082 23 residues pruned to eliminate duplicates Z: 70 30.095 1.987 0.505 0.539 0.855 0.565 CA 1.363 70 residues pruned to eliminate duplicates Z: 19 7.885 1.840 0.374 0.296 0.778 0.389 CA 1.187 19 residues pruned to eliminate duplicates Z: 36 14.185 1.901 0.520 0.322 0.771 0.543 CA 1.309 36 residues pruned to eliminate duplicates Z: 95 37.860 1.997 0.497 0.525 0.915 0.585 CA 1.393 95 residues pruned to eliminate duplicates Z: 7 5.581 1.667 0.863 0.356 0.667 0.333 CA 1.285 7 residues pruned to eliminate duplicates Z: 78 35.821 2.039 0.472 0.555 0.909 0.675 CB 1.418 78 residues pruned to eliminate duplicates Z: 75 37.055 2.055 0.530 0.567 0.905 0.554 CB 1.418 75 residues pruned to eliminate duplicates Z: 73 40.561 2.073 0.554 0.597 0.931 0.611 CA 1.453 73 residues pruned to eliminate duplicates Z: 10 6.313 1.877 0.912 0.268 0.667 0.222 CA 1.145 10 residues pruned to eliminate duplicates Z: 76 36.718 2.055 0.492 0.559 0.920 0.640 CB 1.420 76 residues pruned to eliminate duplicates Z: 74 41.956 2.053 0.631 0.611 0.932 0.644 CB 1.418 74 residues pruned to eliminate duplicates Z: 6 2.504 1.926 0.431 0.211 0.600 0.200 CA 0.953 6 residues pruned to eliminate duplicates Z: 66 41.396 2.077 0.545 0.624 0.954 0.738 CB 1.492 66 residues pruned to eliminate duplicates Z: 67 39.526 2.084 0.475 0.620 0.939 0.697 CB 1.504 67 residues pruned to eliminate duplicates Z: 67 38.611 2.074 0.504 0.608 0.939 0.727 CA 1.464 67 residues pruned to eliminate duplicates Z: 68 40.794 2.070 0.556 0.624 0.955 0.642 CB 1.441 68 residues pruned to eliminate duplicates Z: 66 41.884 2.095 0.566 0.634 0.954 0.631 CB 1.463 66 residues pruned to eliminate duplicates Z: 11 10.534 1.700 0.501 0.891 1.000 0.700 CB 0.939 11 residues pruned to eliminate duplicates Z: 75 37.592 2.037 0.540 0.556 0.932 0.595 CB 1.415 75 residues pruned to eliminate duplicates Z: 68 38.372 2.047 0.491 0.615 0.955 0.612 CA 1.442 68 residues pruned to eliminate duplicates Z: 67 40.202 2.072 0.570 0.623 0.924 0.652 CB 1.466 67 residues pruned to eliminate duplicates Z: 73 38.824 2.052 0.538 0.583 0.931 0.639 CA 1.439 73 residues pruned to eliminate duplicates Z: 76 41.954 2.067 0.619 0.576 0.933 0.613 CB 1.442 76 residues pruned to eliminate duplicates Z: 75 39.393 2.054 0.686 0.568 0.878 0.635 CB 1.410 75 residues pruned to eliminate duplicates Z: 61 42.666 2.093 0.590 0.633 0.967 0.683 CB 1.512 61 residues pruned to eliminate duplicates Z: 68 40.053 2.059 0.518 0.619 0.955 0.687 CA 1.465 68 residues pruned to eliminate duplicates Z: 67 39.621 2.078 0.551 0.618 0.924 0.697 CB 1.463 67 residues pruned to eliminate duplicates Z: 62 39.666 2.088 0.501 0.626 0.967 0.672 CA 1.488 62 residues pruned to eliminate duplicates Z: 105 39.744 2.002 0.564 0.505 0.894 0.567 CB 1.385 105 residues pruned to eliminate duplicates Z: 51 32.898 2.073 0.431 0.597 0.960 0.820 CA 1.490 51 residues pruned to eliminate duplicates Z: 64 37.236 2.073 0.507 0.609 0.952 0.651 CB 1.422 64 residues pruned to eliminate duplicates Z: 67 40.422 2.081 0.533 0.635 0.955 0.773 CB 1.440 67 residues pruned to eliminate duplicates Z: 67 40.672 2.073 0.547 0.604 0.955 0.652 CB 1.482 67 residues pruned to eliminate duplicates Z: 67 39.380 2.067 0.535 0.606 0.955 0.697 CB 1.447 67 residues pruned to eliminate duplicates Z: 53 30.676 2.017 0.659 0.555 0.904 0.654 CA 1.333 53 residues pruned to eliminate duplicates Z: 67 39.813 2.092 0.515 0.607 0.955 0.712 CA 1.464 67 residues pruned to eliminate duplicates Z: 67 40.203 2.074 0.485 0.624 0.970 0.682 CB 1.474 67 residues pruned to eliminate duplicates Z: 66 32.497 2.029 0.427 0.586 0.908 0.677 CB 1.413 66 residues pruned to eliminate duplicates Z: 51 33.113 2.089 0.436 0.592 0.940 0.780 CB 1.520 51 residues pruned to eliminate duplicates Z: 63 41.213 2.075 0.577 0.622 0.984 0.677 CB 1.449 63 residues pruned to eliminate duplicates Z: 14 19.606 2.101 0.409 0.805 1.000 0.769 CA 1.408 14 residues pruned to eliminate duplicates Z: 67 40.185 2.072 0.522 0.619 0.955 0.712 CB 1.468 67 residues pruned to eliminate duplicates Z: 75 39.379 2.066 0.604 0.578 0.905 0.622 CB 1.416 75 residues pruned to eliminate duplicates Z: 95 38.168 1.998 0.519 0.533 0.894 0.606 CA 1.406 95 residues pruned to eliminate duplicates Z: 51 36.157 2.100 0.546 0.610 0.940 0.780 CB 1.510 51 residues pruned to eliminate duplicates Z: 51 32.052 2.096 0.399 0.593 0.960 0.740 CB 1.474 51 residues pruned to eliminate duplicates Z: 77 38.094 2.039 0.572 0.547 0.921 0.579 CB 1.414 77 residues pruned to eliminate duplicates Z: 67 38.751 2.079 0.583 0.614 0.909 0.742 CB 1.432 67 residues pruned to eliminate duplicates Z: 67 39.521 2.065 0.531 0.620 0.939 0.667 CA 1.462 67 residues pruned to eliminate duplicates Z: 52 37.800 2.075 0.630 0.569 0.961 0.627 CB 1.523 52 residues pruned to eliminate duplicates Z: 53 33.936 2.051 0.506 0.568 0.962 0.654 CB 1.483 53 residues pruned to eliminate duplicates Z: 68 40.455 2.059 0.554 0.617 0.955 0.612 CB 1.448 68 residues pruned to eliminate duplicates Z: 94 41.838 2.016 0.610 0.560 0.892 0.570 CA 1.413 94 residues pruned to eliminate duplicates Z: 95 38.852 1.978 0.604 0.537 0.894 0.606 CA 1.363 95 residues pruned to eliminate duplicates Z: 27 20.675 1.984 0.400 0.583 0.962 0.731 CB 1.403 27 residues pruned to eliminate duplicates Z: 52 36.707 2.067 0.599 0.573 0.961 0.686 CB 1.509 52 residues pruned to eliminate duplicates Z: 74 40.771 2.045 0.638 0.576 0.945 0.562 CB 1.400 74 residues pruned to eliminate duplicates Z: 6 8.212 2.008 0.636 0.564 1.000 0.400 CA 1.051 6 residues pruned to eliminate duplicates Z: 61 34.285 2.044 0.537 0.592 0.933 0.533 CB 1.382 61 residues pruned to eliminate duplicates Z: 29 21.005 1.943 0.459 0.558 0.893 0.607 CB 1.482 29 residues pruned to eliminate duplicates Z: 26 25.059 2.032 0.547 0.622 0.960 0.760 CB 1.480 26 residues pruned to eliminate duplicates Z: 9 6.040 1.715 0.322 0.470 0.875 0.500 CB 1.109 9 residues pruned to eliminate duplicates Z: 63 39.441 2.076 0.583 0.629 0.952 0.645 CB 1.419 63 residues pruned to eliminate duplicates Z: 28 22.261 1.970 0.496 0.573 0.963 0.667 CA 1.407 28 residues pruned to eliminate duplicates Z: 66 30.846 2.020 0.437 0.560 0.892 0.477 CB 1.394 66 residues pruned to eliminate duplicates Z: 67 40.446 2.058 0.591 0.611 0.955 0.576 CB 1.433 67 residues pruned to eliminate duplicates Z: 68 43.127 2.065 0.594 0.627 0.970 0.642 CA 1.464 68 residues pruned to eliminate duplicates Z: 27 20.640 1.976 0.453 0.599 0.885 0.577 CB 1.449 27 residues pruned to eliminate duplicates Z: 26 21.924 2.045 0.484 0.621 0.920 0.680 CB 1.401 26 residues pruned to eliminate duplicates Z: 68 39.721 2.053 0.586 0.617 0.925 0.627 CB 1.441 68 residues pruned to eliminate duplicates Z: 13 25.873 2.106 0.707 0.926 1.000 0.833 CB 1.457 14 residues pruned to eliminate duplicates Z: 14 23.483 2.085 0.613 0.901 1.000 0.615 CB 1.382 13 residues pruned to eliminate duplicates Z: 14 23.115 2.075 0.669 0.909 0.923 0.923 CB 1.423 14 residues pruned to eliminate duplicates Z: 30 20.663 1.964 0.542 0.544 0.862 0.552 CB 1.407 30 residues pruned to eliminate duplicates Z: 12 25.468 2.169 0.617 0.934 1.000 0.818 CB 1.526 13 residues pruned to eliminate duplicates Z: 7 6.126 1.593 0.399 0.520 1.000 0.833 CA 1.100 7 residues pruned to eliminate duplicates Z: 16 12.646 1.948 0.529 0.288 1.000 0.733 CB 1.390 16 residues pruned to eliminate duplicates Z: 18 14.887 1.883 0.616 0.321 1.000 0.706 CB 1.445 17 residues pruned to eliminate duplicates Z: 6 5.480 1.724 0.094 0.452 1.000 0.600 CA 1.365 6 residues pruned to eliminate duplicates Z: 16 15.175 1.952 0.611 0.390 1.000 0.733 CB 1.400 16 residues pruned to eliminate duplicates Z: 15 15.490 2.031 0.620 0.347 1.000 0.714 CB 1.486 15 residues pruned to eliminate duplicates Z: 48 28.404 2.000 0.599 0.489 0.915 0.638 CB 1.431 48 residues pruned to eliminate duplicates Z: 60 32.070 1.961 0.607 0.494 0.932 0.644 CA 1.429 60 residues pruned to eliminate duplicates Z: 7 3.877 1.654 0.492 0.547 0.833 0.333 CB 0.735 7 residues pruned to eliminate duplicates Z: 9 6.339 1.452 0.715 0.903 1.000 0.375 CB 0.642 9 residues pruned to eliminate duplicates Z: 10 3.707 1.642 0.224 0.590 0.889 0.778 CB 0.634 10 residues pruned to eliminate duplicates Z: 7 4.559 1.662 0.331 0.726 1.000 0.667 CB 0.686 7 residues pruned to eliminate duplicates Z: 12 3.270 1.570 0.118 0.526 0.818 0.455 CB 0.669 17 residues pruned to eliminate duplicates 6 1.968 1.625 0.295 0.652 0.600 0.400 CB 0.605 ? Z: 6 3.567 1.494 0.038 0.362 1.000 0.600 C 1.192 6 residues pruned to eliminate duplicates Z: 38 18.003 1.884 0.464 0.403 0.892 0.541 CA 1.333 38 residues pruned to eliminate duplicates Z: 118 42.285 1.985 0.506 0.541 0.906 0.615 CA 1.387 118 residues pruned to eliminate duplicates Z: 121 44.090 1.967 0.546 0.528 0.908 0.558 CB 1.418 121 residues pruned to eliminate duplicates Z: 48 19.805 1.840 0.399 0.450 0.915 0.553 CA 1.291 48 residues pruned to eliminate duplicates Z: 27 19.962 1.945 0.445 0.596 0.962 0.654 CA 1.321 27 residues pruned to eliminate duplicates Z: 26 14.886 1.883 0.486 0.450 0.880 0.560 CA 1.272 26 residues pruned to eliminate duplicates Z: 69 26.545 1.878 0.457 0.525 0.882 0.647 CA 1.301 79 residues pruned to eliminate duplicates Z: 115 46.472 2.011 0.526 0.549 0.930 0.605 CA 1.454 115 residues pruned to eliminate duplicates Z: 25 16.421 1.947 0.367 0.539 0.958 0.708 CA 1.265 25 residues pruned to eliminate duplicates Z: 39 18.057 1.822 0.445 0.444 0.895 0.500 CA 1.318 39 residues pruned to eliminate duplicates Z: 58 23.528 1.879 0.345 0.537 0.912 0.649 CA 1.303 58 residues pruned to eliminate duplicates Z: 58 26.568 1.886 0.507 0.520 0.912 0.614 CA 1.331 58 residues pruned to eliminate duplicates Z: 31 17.375 1.858 0.422 0.536 0.900 0.667 CA 1.287 31 residues pruned to eliminate duplicates Z: 61 26.015 1.870 0.478 0.503 0.933 0.633 CA 1.298 61 residues pruned to eliminate duplicates Z: 53 24.654 1.887 0.391 0.552 0.923 0.615 CA 1.341 53 residues pruned to eliminate duplicates Z: 60 21.709 1.782 0.476 0.451 0.898 0.475 CA 1.258 60 residues pruned to eliminate duplicates Z: 55 21.159 1.804 0.508 0.464 0.833 0.481 CA 1.318 55 residues pruned to eliminate duplicates Z: 63 29.023 1.860 0.538 0.552 0.903 0.532 CA 1.356 63 residues pruned to eliminate duplicates Z: 58 27.949 1.892 0.545 0.506 0.895 0.561 CA 1.407 58 residues pruned to eliminate duplicates Z: 53 31.498 1.935 0.577 0.556 0.962 0.615 CB 1.411 53 residues pruned to eliminate duplicates Z: 40 20.162 1.884 0.519 0.508 0.821 0.487 CA 1.364 40 residues pruned to eliminate duplicates Z: 21 13.555 1.903 0.526 0.447 0.800 0.450 CB 1.378 21 residues pruned to eliminate duplicates Z: 42 24.406 1.868 0.575 0.482 0.927 0.537 CA 1.424 42 residues pruned to eliminate duplicates Z: 57 26.069 1.872 0.533 0.537 0.875 0.518 CA 1.337 57 residues pruned to eliminate duplicates Z: 82 35.940 1.951 0.498 0.569 0.926 0.457 CA 1.380 82 residues pruned to eliminate duplicates Z: 40 25.449 1.901 0.679 0.506 0.872 0.436 CB 1.456 40 residues pruned to eliminate duplicates Z: 16 9.734 1.803 0.479 0.328 0.867 0.467 CA 1.313 16 residues pruned to eliminate duplicates Z: 17 10.448 1.844 0.497 0.363 0.750 0.438 CB 1.463 17 residues pruned to eliminate duplicates Z: 54 25.164 1.946 0.516 0.520 0.868 0.509 CA 1.324 54 residues pruned to eliminate duplicates Z: 54 26.817 1.889 0.453 0.538 0.925 0.415 CA 1.398 54 residues pruned to eliminate duplicates Z: 66 30.793 1.962 0.466 0.527 0.923 0.538 CA 1.401 66 residues pruned to eliminate duplicates Z: 85 42.668 2.042 0.546 0.558 0.964 0.595 CB 1.445 85 residues pruned to eliminate duplicates Z: 40 19.217 1.863 0.483 0.540 0.846 0.590 CA 1.266 40 residues pruned to eliminate duplicates Z: 37 14.877 1.802 0.454 0.433 0.833 0.500 CA 1.217 37 residues pruned to eliminate duplicates Z: 59 25.115 1.874 0.442 0.512 0.862 0.466 CB 1.399 59 residues pruned to eliminate duplicates Z: 80 35.256 1.959 0.454 0.548 0.937 0.544 CA 1.418 80 residues pruned to eliminate duplicates Z: 56 26.774 1.906 0.469 0.545 0.927 0.473 CA 1.331 56 residues pruned to eliminate duplicates Z: 50 29.415 1.927 0.526 0.582 0.959 0.510 CA 1.376 50 residues pruned to eliminate duplicates Z: 57 24.811 1.874 0.419 0.516 0.946 0.500 CA 1.296 57 residues pruned to eliminate duplicates Z: 54 25.509 1.925 0.460 0.542 0.849 0.491 CA 1.409 54 residues pruned to eliminate duplicates Z: 52 26.883 1.948 0.437 0.579 0.882 0.451 CA 1.412 52 residues pruned to eliminate duplicates Z: 58 29.510 1.896 0.556 0.521 0.947 0.509 CA 1.370 58 residues pruned to eliminate duplicates Z: 57 26.334 1.894 0.450 0.530 0.893 0.518 CA 1.393 57 residues pruned to eliminate duplicates Z: 28 17.818 1.938 0.347 0.561 0.889 0.667 CB 1.393 28 residues pruned to eliminate duplicates Z: 83 37.079 1.980 0.448 0.589 0.939 0.573 CA 1.396 83 residues pruned to eliminate duplicates Z: 94 37.825 1.974 0.453 0.537 0.935 0.505 CA 1.409 94 residues pruned to eliminate duplicates Z: 27 19.203 1.932 0.432 0.582 0.962 0.654 CB 1.309 27 residues pruned to eliminate duplicates Z: 44 20.024 1.894 0.414 0.449 0.884 0.605 CA 1.359 44 residues pruned to eliminate duplicates Z: 93 35.651 2.008 0.474 0.496 0.891 0.565 CB 1.414 93 residues pruned to eliminate duplicates Z: 121 42.679 1.979 0.506 0.526 0.900 0.550 CB 1.416 121 residues pruned to eliminate duplicates Z: 39 17.115 1.863 0.352 0.470 0.842 0.526 CA 1.350 39 residues pruned to eliminate duplicates Z: 66 27.640 1.900 0.507 0.481 0.892 0.400 CA 1.367 66 residues pruned to eliminate duplicates Z: 43 18.782 1.870 0.398 0.519 0.833 0.548 CB 1.306 43 residues pruned to eliminate duplicates Z: 9 9.175 1.508 0.684 0.474 1.000 0.750 CB 1.311 9 residues pruned to eliminate duplicates Z: 69 27.750 1.983 0.393 0.486 0.926 0.559 CB 1.334 69 residues pruned to eliminate duplicates Z: 9 6.338 1.745 0.662 0.343 0.875 0.375 CA 1.047 9 residues pruned to eliminate duplicates Z: 35 15.995 2.022 0.237 0.473 0.853 0.618 CA 1.322 35 residues pruned to eliminate duplicates Z: 119 44.765 2.005 0.530 0.528 0.915 0.559 CB 1.428 132 residues pruned to eliminate duplicates Z: 18 24.726 2.121 0.532 0.786 1.000 0.765 CA 1.435 18 residues pruned to eliminate duplicates Z: 58 28.146 2.033 0.389 0.520 0.930 0.614 CB 1.391 58 residues pruned to eliminate duplicates Z: 59 29.016 2.048 0.449 0.530 0.914 0.586 CB 1.363 59 residues pruned to eliminate duplicates Z: 42 25.457 2.005 0.626 0.478 0.902 0.610 CA 1.382 42 residues pruned to eliminate duplicates Z: 58 28.620 1.973 0.405 0.553 0.930 0.667 CA 1.397 58 residues pruned to eliminate duplicates Z: 28 21.792 2.105 0.433 0.522 1.000 0.481 CA 1.360 28 residues pruned to eliminate duplicates Z: 88 39.218 2.035 0.542 0.549 0.908 0.609 CB 1.406 88 residues pruned to eliminate duplicates Z: 53 38.364 2.125 0.664 0.581 0.942 0.615 CB 1.477 53 residues pruned to eliminate duplicates Z: 41 17.873 1.918 0.446 0.420 0.850 0.500 CA 1.302 41 residues pruned to eliminate duplicates Z: 26 20.633 2.038 0.492 0.567 0.920 0.640 CA 1.383 26 residues pruned to eliminate duplicates Z: 25 19.050 2.055 0.523 0.578 0.833 0.667 CA 1.384 25 residues pruned to eliminate duplicates Z: 36 24.425 2.032 0.623 0.502 0.914 0.486 CA 1.366 36 residues pruned to eliminate duplicates Z: 55 36.530 2.128 0.531 0.563 0.944 0.611 CB 1.520 55 residues pruned to eliminate duplicates Z: 38 20.093 2.074 0.301 0.444 0.892 0.486 CB 1.454 38 residues pruned to eliminate duplicates Z: 55 31.203 2.093 0.474 0.531 0.907 0.537 CB 1.471 55 residues pruned to eliminate duplicates Z: 65 31.360 2.050 0.518 0.530 0.906 0.609 CB 1.349 65 residues pruned to eliminate duplicates Z: 55 30.071 1.981 0.518 0.527 0.907 0.630 CB 1.460 55 residues pruned to eliminate duplicates Z: 23 22.063 2.134 0.454 0.629 1.000 0.773 CA 1.342 23 residues pruned to eliminate duplicates Z: 27 19.301 2.023 0.409 0.530 0.923 0.462 CB 1.397 27 residues pruned to eliminate duplicates Z: 60 38.649 2.087 0.638 0.546 0.949 0.610 CA 1.483 60 residues pruned to eliminate duplicates Z: 59 28.418 2.040 0.425 0.489 0.914 0.534 CA 1.421 59 residues pruned to eliminate duplicates Z: 62 33.708 2.054 0.510 0.530 0.934 0.590 CA 1.446 62 residues pruned to eliminate duplicates Z: 36 19.695 2.014 0.439 0.433 0.886 0.457 CB 1.391 36 residues pruned to eliminate duplicates Z: 58 34.025 2.055 0.618 0.544 0.912 0.614 CB 1.423 58 residues pruned to eliminate duplicates Z: 62 38.516 2.077 0.646 0.550 0.934 0.623 CB 1.470 62 residues pruned to eliminate duplicates Z: 114 46.487 2.007 0.525 0.544 0.938 0.566 CA 1.459 114 residues pruned to eliminate duplicates Z: 63 39.072 2.066 0.698 0.543 0.935 0.629 CB 1.450 63 residues pruned to eliminate duplicates Z: 66 34.939 2.053 0.559 0.541 0.923 0.615 CB 1.409 66 residues pruned to eliminate duplicates Z: 53 41.172 2.129 0.701 0.578 0.962 0.615 CB 1.521 53 residues pruned to eliminate duplicates Z: 30 25.377 2.043 0.720 0.552 0.897 0.586 CB 1.421 30 residues pruned to eliminate duplicates Z: 65 34.139 2.048 0.717 0.515 0.906 0.594 CB 1.320 65 residues pruned to eliminate duplicates Z: 65 34.353 2.054 0.635 0.514 0.891 0.531 CB 1.416 65 residues pruned to eliminate duplicates Z: 110 46.302 2.019 0.535 0.552 0.927 0.596 CB 1.467 110 residues pruned to eliminate duplicates Z: 55 33.754 2.048 0.568 0.567 0.944 0.667 CA 1.420 55 residues pruned to eliminate duplicates Z: 114 48.793 2.009 0.627 0.550 0.938 0.566 CB 1.425 114 residues pruned to eliminate duplicates Z: 20 23.446 2.091 0.639 0.647 0.947 0.579 CB 1.444 20 residues pruned to eliminate duplicates Z: 22 21.315 2.042 0.758 0.587 0.810 0.571 CB 1.473 22 residues pruned to eliminate duplicates Z: 24 19.608 1.995 0.618 0.562 0.870 0.652 CB 1.372 24 residues pruned to eliminate duplicates Z: 22 21.336 2.039 0.650 0.618 0.905 0.619 CB 1.368 22 residues pruned to eliminate duplicates Z: 53 36.128 2.064 0.731 0.546 0.942 0.615 CB 1.422 53 residues pruned to eliminate duplicates Z: 21 25.139 2.120 0.722 0.662 0.900 0.500 CB 1.472 21 residues pruned to eliminate duplicates Z: 26 26.086 2.069 0.746 0.596 0.960 0.560 CB 1.372 26 residues pruned to eliminate duplicates Z: 52 43.830 2.139 0.716 0.613 0.980 0.667 CA 1.532 52 residues pruned to eliminate duplicates Z: 21 26.364 2.119 0.823 0.673 0.900 0.550 CA 1.445 21 residues pruned to eliminate duplicates Z: 57 36.203 2.072 0.630 0.545 0.929 0.518 CB 1.475 57 residues pruned to eliminate duplicates Z: 25 20.335 2.070 0.606 0.570 0.917 0.458 CB 1.273 25 residues pruned to eliminate duplicates Z: 17 11.941 2.036 0.641 0.509 0.750 0.500 CB 1.180 17 residues pruned to eliminate duplicates Z: 20 30.060 2.127 0.895 0.714 1.000 0.632 CB 1.410 20 residues pruned to eliminate duplicates Z: 20 26.989 2.140 0.841 0.692 0.947 0.632 CB 1.391 20 residues pruned to eliminate duplicates Z: 14 15.937 1.982 0.752 0.670 0.769 0.231 CB 1.414 14 residues pruned to eliminate duplicates Z: 24 22.159 2.083 0.734 0.579 0.870 0.522 CB 1.362 24 residues pruned to eliminate duplicates Z: 25 20.742 2.061 0.751 0.535 0.875 0.417 CB 1.296 25 residues pruned to eliminate duplicates Z: 26 21.475 2.086 0.579 0.592 0.960 0.520 CB 1.243 26 residues pruned to eliminate duplicates Z: 63 33.332 2.037 0.687 0.507 0.903 0.500 CB 1.354 63 residues pruned to eliminate duplicates Z: 16 16.596 2.022 0.757 0.574 0.867 0.200 CB 1.297 16 residues pruned to eliminate duplicates Z: 11 3.256 1.666 0.350 0.290 0.700 0.300 CB 0.828 6 residues pruned to eliminate duplicates Z: 17 22.889 2.010 0.605 0.734 1.000 0.875 CA 1.438 17 residues pruned to eliminate duplicates Z: 23 24.886 2.033 0.669 0.707 0.909 0.682 CB 1.425 28 residues pruned to eliminate duplicates Z: 17 24.770 1.934 0.706 0.879 1.000 0.562 CA 1.361 17 residues pruned to eliminate duplicates Z: 18 21.960 1.992 0.699 0.712 0.941 0.471 CA 1.380 18 residues pruned to eliminate duplicates Z: 27 20.695 1.896 0.624 0.614 0.846 0.615 CA 1.399 23 residues pruned to eliminate duplicates Z: 17 23.885 1.906 0.795 0.821 1.000 0.562 CA 1.321 17 residues pruned to eliminate duplicates Z: 20 21.026 2.024 0.644 0.632 0.895 0.421 CA 1.431 20 residues pruned to eliminate duplicates Z: 19 21.460 1.948 0.727 0.662 0.944 0.389 CA 1.371 19 residues pruned to eliminate duplicates Z: 25 23.282 1.949 0.755 0.647 0.875 0.417 CA 1.384 25 residues pruned to eliminate duplicates Z: 16 22.256 2.066 0.806 0.778 0.867 0.600 CA 1.391 16 residues pruned to eliminate duplicates Z: 57 32.315 1.995 0.642 0.567 0.911 0.625 CA 1.356 63 residues pruned to eliminate duplicates Z: 15 23.281 2.016 0.697 0.862 0.857 0.500 CA 1.558 15 residues pruned to eliminate duplicates Z: 50 29.196 2.018 0.636 0.550 0.918 0.571 CA 1.310 50 residues pruned to eliminate duplicates Z: 41 36.760 2.092 0.836 0.639 0.875 0.325 CA 1.519 41 residues pruned to eliminate duplicates Z: 43 32.899 2.038 0.796 0.611 0.881 0.357 CA 1.417 43 residues pruned to eliminate duplicates Z: 44 30.993 1.981 0.799 0.514 0.907 0.372 CA 1.442 44 residues pruned to eliminate duplicates Z: 37 25.733 1.981 0.776 0.522 0.861 0.528 CA 1.385 37 residues pruned to eliminate duplicates Z: 79 39.966 1.971 0.756 0.542 0.936 0.538 CA 1.340 79 residues pruned to eliminate duplicates Z: 6 8.463 1.927 0.257 0.618 1.000 0.200 CA 1.397 6 residues pruned to eliminate duplicates Z: 42 31.443 2.015 0.821 0.596 0.829 0.463 CA 1.473 42 residues pruned to eliminate duplicates Z: 32 31.328 2.008 0.912 0.595 0.871 0.516 CA 1.537 32 residues pruned to eliminate duplicates Z: 42 30.689 2.032 0.765 0.560 0.854 0.390 CA 1.478 42 residues pruned to eliminate duplicates Z: 18 18.244 2.042 0.732 0.390 0.941 0.588 CA 1.494 18 residues pruned to eliminate duplicates Z: 29 22.731 1.997 0.842 0.526 0.786 0.321 CA 1.449 29 residues pruned to eliminate duplicates Z: 46 35.582 2.019 0.899 0.584 0.889 0.378 CB 1.435 46 residues pruned to eliminate duplicates Z: 40 33.627 2.066 0.805 0.659 0.795 0.487 CA 1.568 40 residues pruned to eliminate duplicates Z: 45 32.109 2.008 0.848 0.565 0.864 0.364 CA 1.418 45 residues pruned to eliminate duplicates Z: 76 36.889 1.958 0.729 0.506 0.907 0.560 CA 1.380 76 residues pruned to eliminate duplicates Z: 32 21.774 1.926 0.729 0.527 0.839 0.355 CB 1.364 32 residues pruned to eliminate duplicates Z: 55 34.058 1.964 0.864 0.543 0.833 0.389 CB 1.457 55 residues pruned to eliminate duplicates Z: 13 14.927 1.888 0.849 0.835 0.667 0.250 CA 1.387 13 residues pruned to eliminate duplicates Z: 45 29.958 1.949 0.844 0.572 0.841 0.318 CA 1.394 45 residues pruned to eliminate duplicates Z: 39 23.459 1.934 0.624 0.509 0.921 0.447 CA 1.304 39 residues pruned to eliminate duplicates Z: 31 20.503 1.952 0.707 0.465 0.800 0.433 CA 1.455 31 residues pruned to eliminate duplicates Z: 36 21.659 1.975 0.548 0.504 0.886 0.600 CA 1.347 36 residues pruned to eliminate duplicates Z: 21 15.337 1.917 0.552 0.627 0.800 0.500 CA 1.279 21 residues pruned to eliminate duplicates Z: 40 32.061 2.045 0.814 0.596 0.821 0.590 CA 1.539 40 residues pruned to eliminate duplicates Z: 75 41.073 2.011 0.758 0.558 0.892 0.608 CA 1.431 75 residues pruned to eliminate duplicates Z: 52 34.651 2.022 0.705 0.606 0.941 0.627 CA 1.351 52 residues pruned to eliminate duplicates Z: 19 14.554 1.842 0.746 0.583 0.889 0.500 CA 1.108 19 residues pruned to eliminate duplicates Z: 116 47.262 2.037 0.673 0.528 0.904 0.504 CB 1.390 116 residues pruned to eliminate duplicates Z: 11 6.824 1.739 0.295 0.524 0.900 0.700 CA 1.039 11 residues pruned to eliminate duplicates Z: 49 28.607 1.931 0.791 0.515 0.896 0.646 CA 1.314 49 residues pruned to eliminate duplicates Z: 12 6.128 1.748 0.431 0.399 0.818 0.364 CA 1.004 12 residues pruned to eliminate duplicates Z: 37 23.226 1.950 0.678 0.451 0.889 0.333 CB 1.399 37 residues pruned to eliminate duplicates Z: 9 6.808 1.769 0.397 0.482 1.000 0.500 CA 0.991 9 residues pruned to eliminate duplicates Z: 8 8.115 1.866 0.332 0.527 1.000 0.857 CA 1.201 Z: 15 12.512 1.791 0.360 0.777 0.929 0.643 CA 1.158 15 residues pruned to eliminate duplicates Z: 35 23.799 1.930 0.747 0.475 0.941 0.706 CA 1.319 43 residues pruned to eliminate duplicates Z: 22 15.690 1.929 0.525 0.532 0.905 0.667 CA 1.246 22 residues pruned to eliminate duplicates Z: 30 19.567 1.910 0.738 0.456 0.897 0.655 CA 1.277 30 residues pruned to eliminate duplicates Z: 38 21.126 1.896 0.768 0.459 0.919 0.649 CA 1.175 38 residues pruned to eliminate duplicates Z: 36 19.394 1.923 0.690 0.458 0.886 0.629 CA 1.189 36 residues pruned to eliminate duplicates Z: 26 20.679 2.027 0.710 0.494 0.960 0.720 CA 1.250 26 residues pruned to eliminate duplicates Z: 28 19.589 1.948 0.624 0.503 0.926 0.815 CA 1.283 28 residues pruned to eliminate duplicates Z: 34 23.612 1.981 0.783 0.503 0.939 0.788 CA 1.235 34 residues pruned to eliminate duplicates Z: 34 19.351 1.963 0.593 0.473 0.939 0.758 CA 1.179 34 residues pruned to eliminate duplicates Z: 31 20.412 1.939 0.760 0.460 0.900 0.633 CA 1.263 31 residues pruned to eliminate duplicates Z: 35 19.215 1.950 0.668 0.433 0.882 0.559 CA 1.231 35 residues pruned to eliminate duplicates Z: 34 20.756 1.899 0.787 0.447 0.909 0.697 CA 1.238 34 residues pruned to eliminate duplicates Z: 29 17.199 1.945 0.683 0.462 0.893 0.607 CA 1.157 29 residues pruned to eliminate duplicates Z: 35 16.849 1.927 0.527 0.443 0.912 0.706 CA 1.141 35 residues pruned to eliminate duplicates Z: 27 24.437 2.004 0.944 0.523 0.962 0.731 CA 1.251 29 residues pruned to eliminate duplicates Z: 6 4.799 1.575 0.921 0.234 0.800 0.400 N 1.209 6 residues pruned to eliminate duplicates Z: 25 15.813 1.875 0.550 0.476 0.917 0.708 CA 1.241 24 residues pruned to eliminate duplicates Z: 8 6.452 1.510 0.675 0.590 1.000 0.857 CA 0.885 9 residues pruned to eliminate duplicates Z: 6 4.782 1.790 0.277 0.355 1.000 0.600 CB 1.093 Z: 6 5.898 1.657 0.978 0.424 0.800 0.600 CA 1.089 Z: 15 11.956 1.736 0.286 0.675 1.000 0.714 CA 1.218 15 residues pruned to eliminate duplicates Z: 19 12.524 1.790 0.458 0.541 0.889 0.667 CA 1.223 19 residues pruned to eliminate duplicates Z: 41 21.331 1.920 0.438 0.587 0.875 0.600 CB 1.284 41 residues pruned to eliminate duplicates Z: 20 15.312 1.840 0.590 0.596 0.895 0.684 CB 1.224 20 residues pruned to eliminate duplicates Z: 19 14.811 1.888 0.558 0.599 0.889 0.722 CB 1.215 19 residues pruned to eliminate duplicates Z: 12 11.775 1.827 0.372 0.772 0.909 0.818 CB 1.224 12 residues pruned to eliminate duplicates Z: 18 15.101 1.855 0.668 0.645 0.882 0.647 CB 1.172 18 residues pruned to eliminate duplicates Z: 19 16.960 1.855 0.631 0.620 0.889 0.833 CB 1.328 20 residues pruned to eliminate duplicates Z: 12 11.571 1.652 0.363 0.854 1.000 0.818 CB 1.145 12 residues pruned to eliminate duplicates Z: 43 23.719 1.904 0.584 0.568 0.905 0.619 CB 1.256 43 residues pruned to eliminate duplicates Z: 14 8.003 1.653 0.372 0.739 0.846 0.769 CB 0.934 14 residues pruned to eliminate duplicates Z: 21 13.659 1.757 0.644 0.600 0.850 0.550 CB 1.131 21 residues pruned to eliminate duplicates Z: 48 23.684 1.856 0.637 0.523 0.872 0.489 CB 1.274 48 residues pruned to eliminate duplicates Z: 37 14.558 1.774 0.585 0.420 0.778 0.472 CB 1.205 47 residues pruned to eliminate duplicates Z: 7 6.053 1.660 0.363 0.592 0.833 0.500 CA 1.199 7 residues pruned to eliminate duplicates Z: 34 19.902 1.966 0.502 0.553 0.879 0.636 CB 1.268 34 residues pruned to eliminate duplicates Z: 64 28.839 1.988 0.549 0.516 0.905 0.651 CB 1.284 131 residues pruned to eliminate duplicates Z: 10 11.152 1.930 0.508 0.518 1.000 0.667 CA 1.253 Z: 6 4.556 1.906 0.233 0.352 0.800 0.800 CA 1.271 6 residues pruned to eliminate duplicates Z: 15 13.330 1.911 0.692 0.488 0.929 0.857 CA 1.201 10 residues pruned to eliminate duplicates Z: 8 5.894 1.506 0.715 0.492 0.857 0.714 N 1.015 6 residues pruned to eliminate duplicates Z: 7 6.764 1.473 1.159 0.561 0.833 0.833 N 0.982 7 residues pruned to eliminate duplicates Z: 33 22.285 1.998 0.603 0.625 0.938 0.688 CB 1.167 17 residues pruned to eliminate duplicates Z: 13 16.117 1.837 0.894 0.853 1.000 0.667 CB 0.988 13 residues pruned to eliminate duplicates Z: 29 16.899 1.888 0.583 0.528 0.893 0.679 CB 1.164 25 residues pruned to eliminate duplicates Z: 13 10.757 1.763 0.690 0.832 1.000 0.250 CB 0.783 13 residues pruned to eliminate duplicates Z: 35 14.872 1.826 0.628 0.393 0.853 0.324 CB 1.126 35 residues pruned to eliminate duplicates Z: 21 10.433 1.905 0.518 0.565 0.850 0.500 CB 0.891 21 residues pruned to eliminate duplicates Z: 40 21.796 1.922 0.734 0.520 0.897 0.667 CB 1.143 40 residues pruned to eliminate duplicates Z: 25 16.756 1.962 0.662 0.502 0.917 0.583 CA 1.141 25 residues pruned to eliminate duplicates Z: 23 20.221 2.017 0.707 0.579 0.955 0.500 CB 1.215 23 residues pruned to eliminate duplicates Z: 24 16.510 2.023 0.459 0.587 0.870 0.435 CB 1.234 24 residues pruned to eliminate duplicates Z: 53 23.572 1.991 0.592 0.503 0.827 0.538 CB 1.243 90 residues pruned to eliminate duplicates Z: 34 22.676 1.967 0.611 0.598 0.939 0.636 CA 1.209 Z: 6 3.860 1.833 0.333 0.360 1.000 1.000 CA 0.822 7 residues pruned to eliminate duplicates Z: 18 20.740 1.864 0.720 0.671 0.941 0.706 CA 1.423 Z: 15 20.717 1.927 0.877 0.698 1.000 0.786 CA 1.278 16 residues pruned to eliminate duplicates Z: 13 23.632 1.960 0.975 0.797 1.000 0.583 CA 1.359 13 residues pruned to eliminate duplicates Z: 38 22.360 2.018 0.609 0.390 0.919 0.622 CB 1.384 88 residues pruned to eliminate duplicates Z: 40 22.544 1.999 0.612 0.458 0.897 0.564 CB 1.304 40 residues pruned to eliminate duplicates Z: 62 26.231 1.916 0.582 0.414 0.918 0.426 CB 1.321 62 residues pruned to eliminate duplicates Z: 53 27.381 1.998 0.747 0.428 0.923 0.654 CB 1.270 53 residues pruned to eliminate duplicates Z: 17 16.641 1.964 0.707 0.589 0.875 0.500 CA 1.302 Z: 13 21.802 1.892 0.998 0.701 1.000 0.500 CA 1.387 12 residues pruned to eliminate duplicates Z: 16 20.574 1.873 0.875 0.775 1.000 0.800 CA 1.187 15 residues pruned to eliminate duplicates Z: 13 21.756 1.950 0.936 0.778 1.000 0.750 CA 1.302 13 residues pruned to eliminate duplicates Z: 42 23.135 1.928 0.687 0.454 0.902 0.610 CB 1.290 61 residues pruned to eliminate duplicates Z: 39 23.210 1.991 0.648 0.442 0.921 0.684 CB 1.322 39 residues pruned to eliminate duplicates Z: 60 26.813 1.959 0.636 0.427 0.898 0.610 CA 1.308 60 residues pruned to eliminate duplicates Z: 51 23.736 1.989 0.577 0.498 0.840 0.580 CB 1.276 51 residues pruned to eliminate duplicates Z: 14 15.907 2.007 0.677 0.436 1.000 0.846 CB 1.400 14 residues pruned to eliminate duplicates Z: 18 10.935 1.773 0.686 0.330 0.941 0.706 CB 1.135 18 residues pruned to eliminate duplicates Z: 46 28.235 2.004 0.639 0.515 0.933 0.689 CA 1.353 46 residues pruned to eliminate duplicates Z: 18 14.802 1.827 0.730 0.347 1.000 0.647 CB 1.342 18 residues pruned to eliminate duplicates Z: 16 12.224 1.851 0.589 0.323 1.000 0.667 CB 1.303 16 residues pruned to eliminate duplicates Z: 14 13.862 2.040 0.605 0.356 1.000 0.769 CB 1.372 14 residues pruned to eliminate duplicates Z: 15 12.747 1.991 0.471 0.300 1.000 0.786 CB 1.453 15 residues pruned to eliminate duplicates Z: 23 10.289 1.723 0.377 0.268 0.955 0.727 CB 1.262 23 residues pruned to eliminate duplicates Z: 16 13.281 1.963 0.598 0.307 0.933 0.667 CB 1.451 16 residues pruned to eliminate duplicates Z: 18 11.235 1.855 0.673 0.305 0.941 0.765 CB 1.159 18 residues pruned to eliminate duplicates Z: 17 12.816 1.885 0.493 0.313 1.000 0.688 CA 1.401 17 residues pruned to eliminate duplicates Z: 9 10.790 1.887 0.244 0.654 1.000 0.750 CB 1.409 Z: 7 8.811 1.804 0.240 0.667 1.000 0.833 CB 1.378 7 residues pruned to eliminate duplicates Z: 8 11.669 1.937 0.360 0.652 1.000 0.857 CA 1.453 8 residues pruned to eliminate duplicates Z: 17 11.429 1.896 0.333 0.396 0.875 0.625 CB 1.442 16 residues pruned to eliminate duplicates Z: 6 2.816 1.599 0.368 0.306 0.600 0.400 CA 1.190 6 residues pruned to eliminate duplicates Z: 16 10.200 1.791 0.512 0.492 0.867 0.733 CB 1.131 15 residues pruned to eliminate duplicates Z: 6 4.847 1.666 0.392 0.432 0.800 0.400 CB 1.254 6 residues pruned to eliminate duplicates Z: 24 13.842 1.795 0.312 0.501 0.913 0.522 CB 1.341 24 residues pruned to eliminate duplicates Z: 7 3.008 1.612 0.643 0.448 0.500 0.167 CA 0.978 Z: 9 7.024 1.554 0.468 0.471 1.000 0.500 CA 1.121 7 residues pruned to eliminate duplicates Z: 8 10.876 1.746 0.737 0.562 0.857 0.429 CA 1.489 9 residues pruned to eliminate duplicates Z: 12 9.189 1.855 0.103 0.705 0.909 0.818 CB 1.237 12 residues pruned to eliminate duplicates Z: 66 43.422 2.072 0.585 0.635 0.969 0.708 CB 1.491 66 residues pruned to eliminate duplicates Z: 14 11.684 1.826 0.504 0.621 0.923 0.692 CA 1.139 14 residues pruned to eliminate duplicates Z: 66 40.312 2.075 0.510 0.622 0.969 0.646 CA 1.468 66 residues pruned to eliminate duplicates Z: 66 37.135 2.057 0.485 0.597 0.923 0.662 CB 1.489 66 residues pruned to eliminate duplicates Z: 67 40.159 2.041 0.548 0.613 0.955 0.712 CA 1.472 67 residues pruned to eliminate duplicates Z: 37 35.911 2.089 0.690 0.659 0.972 0.722 CA 1.504 37 residues pruned to eliminate duplicates Z: 66 42.720 2.071 0.554 0.648 0.969 0.785 CB 1.480 66 residues pruned to eliminate duplicates Z: 28 16.949 1.843 0.834 0.540 0.815 0.519 CB 1.138 36 residues pruned to eliminate duplicates Z: 78 39.231 2.002 0.574 0.574 0.922 0.649 CB 1.432 78 residues pruned to eliminate duplicates Z: 44 31.272 2.016 0.579 0.620 0.930 0.674 CA 1.438 44 residues pruned to eliminate duplicates Z: 42 31.143 2.033 0.689 0.631 0.902 0.634 CA 1.388 42 residues pruned to eliminate duplicates Z: 60 42.618 2.091 0.620 0.647 0.966 0.678 CA 1.477 60 residues pruned to eliminate duplicates Z: 60 42.574 2.098 0.614 0.619 0.966 0.678 CA 1.514 60 residues pruned to eliminate duplicates Z: 76 40.244 2.026 0.543 0.581 0.960 0.627 CA 1.432 76 residues pruned to eliminate duplicates Z: 60 39.824 2.064 0.543 0.630 0.949 0.712 CA 1.517 60 residues pruned to eliminate duplicates Z: 62 41.506 2.045 0.607 0.620 0.984 0.672 CB 1.468 62 residues pruned to eliminate duplicates Z: 81 36.287 1.937 0.541 0.572 0.925 0.650 CB 1.370 96 residues pruned to eliminate duplicates Z: 8 4.011 1.532 0.144 0.410 1.000 0.857 CA 0.951 8 residues pruned to eliminate duplicates Z: 68 44.330 2.047 0.622 0.596 0.985 0.657 CB 1.512 68 residues pruned to eliminate duplicates Z: 67 40.904 2.036 0.627 0.611 0.939 0.667 CB 1.457 67 residues pruned to eliminate duplicates Z: 66 38.571 2.043 0.488 0.622 0.954 0.677 CB 1.471 66 residues pruned to eliminate duplicates Z: 68 41.037 2.047 0.636 0.604 0.940 0.672 CB 1.442 68 residues pruned to eliminate duplicates Z: 62 38.905 2.067 0.551 0.632 0.934 0.672 CB 1.468 62 residues pruned to eliminate duplicates Z: 65 39.280 2.064 0.466 0.616 0.984 0.656 CB 1.477 65 residues pruned to eliminate duplicates Z: 51 33.929 2.074 0.460 0.581 0.940 0.740 CA 1.560 51 residues pruned to eliminate duplicates Z: 36 34.921 2.083 0.654 0.657 1.000 0.743 CA 1.481 36 residues pruned to eliminate duplicates Z: 60 41.475 2.074 0.587 0.632 0.983 0.678 CB 1.475 60 residues pruned to eliminate duplicates Z: 53 31.681 2.046 0.468 0.553 0.942 0.673 CB 1.474 53 residues pruned to eliminate duplicates Z: 67 40.754 2.033 0.611 0.622 0.939 0.682 CB 1.453 67 residues pruned to eliminate duplicates Z: 74 38.728 2.046 0.514 0.581 0.945 0.658 CB 1.433 74 residues pruned to eliminate duplicates Z: 68 40.549 2.057 0.600 0.624 0.940 0.731 CB 1.425 68 residues pruned to eliminate duplicates Z: 65 37.234 2.031 0.532 0.601 0.969 0.703 CB 1.402 65 residues pruned to eliminate duplicates Z: 42 31.785 2.106 0.494 0.590 0.976 0.610 CB 1.483 42 residues pruned to eliminate duplicates Z: 66 41.422 2.063 0.565 0.602 0.985 0.631 CB 1.467 66 residues pruned to eliminate duplicates Z: 62 42.832 2.067 0.595 0.625 0.984 0.689 CB 1.504 62 residues pruned to eliminate duplicates Z: 67 41.237 2.024 0.606 0.618 0.955 0.667 CA 1.463 67 residues pruned to eliminate duplicates Z: 51 32.852 2.061 0.467 0.568 0.960 0.600 CB 1.499 51 residues pruned to eliminate duplicates Z: 66 44.112 2.058 0.661 0.627 0.969 0.708 CA 1.466 66 residues pruned to eliminate duplicates Z: 25 21.583 2.079 0.323 0.596 1.000 0.750 CB 1.461 25 residues pruned to eliminate duplicates Z: 26 22.205 2.037 0.458 0.551 0.960 0.760 CB 1.483 26 residues pruned to eliminate duplicates Z: 62 45.014 2.051 0.745 0.611 0.984 0.738 CA 1.474 62 residues pruned to eliminate duplicates Z: 66 41.128 2.012 0.645 0.594 0.985 0.600 CB 1.431 66 residues pruned to eliminate duplicates Z: 48 30.539 2.009 0.533 0.525 0.979 0.702 CB 1.442 48 residues pruned to eliminate duplicates Z: 69 40.720 2.013 0.559 0.609 0.971 0.676 CB 1.462 69 residues pruned to eliminate duplicates Z: 28 21.603 1.993 0.464 0.552 0.963 0.630 CB 1.406 28 residues pruned to eliminate duplicates Z: 59 39.030 2.057 0.616 0.593 0.966 0.672 CB 1.461 59 residues pruned to eliminate duplicates Z: 25 24.328 2.068 0.474 0.581 1.000 0.833 CB 1.507 25 residues pruned to eliminate duplicates Z: 72 39.456 2.018 0.591 0.559 0.958 0.662 CB 1.437 72 residues pruned to eliminate duplicates Z: 69 38.233 2.027 0.475 0.604 0.956 0.691 CA 1.469 69 residues pruned to eliminate duplicates Z: 65 44.831 2.082 0.624 0.643 0.969 0.688 CA 1.497 65 residues pruned to eliminate duplicates Z: 74 37.090 2.003 0.575 0.537 0.945 0.630 CB 1.403 74 residues pruned to eliminate duplicates Z: 66 45.906 2.061 0.755 0.635 0.969 0.677 CB 1.431 66 residues pruned to eliminate duplicates Z: 25 26.040 2.069 0.603 0.601 0.958 0.708 CB 1.518 25 residues pruned to eliminate duplicates Z: 26 21.271 2.016 0.362 0.611 0.960 0.760 CA 1.452 26 residues pruned to eliminate duplicates Z: 63 39.193 2.055 0.579 0.612 0.935 0.694 CB 1.475 63 residues pruned to eliminate duplicates Z: 27 22.792 2.002 0.423 0.588 1.000 0.846 CB 1.441 27 residues pruned to eliminate duplicates Z: 66 41.905 2.058 0.624 0.632 0.938 0.615 CB 1.464 66 residues pruned to eliminate duplicates Z: 67 37.684 1.985 0.608 0.561 0.939 0.742 CA 1.458 67 residues pruned to eliminate duplicates Z: 12 11.019 1.787 0.254 0.733 0.909 0.727 CA 1.322 11 residues pruned to eliminate duplicates Z: 10 8.568 1.754 0.347 0.591 0.889 0.667 CA 1.247 10 residues pruned to eliminate duplicates Z: 11 13.261 1.856 0.590 0.655 0.900 0.600 CA 1.367 11 residues pruned to eliminate duplicates Z: 15 14.124 1.758 0.745 0.562 0.929 0.786 CB 1.248 16 residues pruned to eliminate duplicates Z: 9 9.807 1.704 0.698 0.732 0.875 0.500 CA 1.111 9 residues pruned to eliminate duplicates Z: 19 13.830 1.777 0.577 0.482 0.889 0.611 CB 1.332 19 residues pruned to eliminate duplicates Z: 24 13.422 1.802 0.518 0.410 0.870 0.696 CB 1.293 23 residues pruned to eliminate duplicates Z: 9 10.373 1.663 0.737 0.758 1.000 0.875 CA 1.010 9 residues pruned to eliminate duplicates Z: 20 15.224 1.782 0.528 0.597 0.947 0.737 CB 1.234 20 residues pruned to eliminate duplicates Z: 19 15.185 1.800 0.550 0.555 1.000 0.722 CB 1.216 19 residues pruned to eliminate duplicates Z: 18 14.182 1.823 0.448 0.542 1.000 0.706 CB 1.250 18 residues pruned to eliminate duplicates Z: 23 15.110 1.768 0.531 0.551 0.909 0.727 CB 1.246 23 residues pruned to eliminate duplicates Z: 6 7.467 1.637 0.520 0.631 1.000 0.400 CA 1.187 Z: 6 4.663 1.531 0.336 0.583 0.800 0.400 CB 1.178 5 residues pruned to eliminate duplicates Z: 6 6.131 1.547 0.595 0.549 1.000 0.400 CB 1.059 7 residues pruned to eliminate duplicates Z: 8 4.731 1.437 0.641 0.370 0.857 0.143 CA 1.016 7 residues pruned to eliminate duplicates Z: 11 5.112 1.389 0.318 0.504 0.900 0.400 CB 0.977 8 residues pruned to eliminate duplicates 927 residues left after pruning, divided into chains as follows: A: 6 B: 8 C: 8 D: 13 E: 9 F: 6 G: 9 H: 9 I: 78 J: 65 K: 7 L: 13 M: 154 N: 161 O: 75 P: 17 Q: 256 R: 23 S: 10 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 49.58 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.379, Connect. = 0.692 for dens.mod. cycle 1 = 0.300, Contrast = 0.445, Connect. = 0.728 for dens.mod. cycle 2 = 0.300, Contrast = 0.520, Connect. = 0.754 for dens.mod. cycle 3 = 0.300, Contrast = 0.528, Connect. = 0.758 for dens.mod. cycle 4 = 0.300, Contrast = 0.537, Connect. = 0.761 for dens.mod. cycle 5 = 0.300, Contrast = 0.540, Connect. = 0.763 for dens.mod. cycle 6 = 0.300, Contrast = 0.544, Connect. = 0.764 for dens.mod. cycle 7 = 0.300, Contrast = 0.545, Connect. = 0.766 for dens.mod. cycle 8 = 0.300, Contrast = 0.547, Connect. = 0.767 for dens.mod. cycle 9 = 0.300, Contrast = 0.548, Connect. = 0.767 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 5531 peaks > 0.5 sigma used to seed fragment search Space for about 1304 unique residues taking solvent into account 1275 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 15 25.162 2.143 0.814 0.899 0.929 0.571 CA 1.331 B: 15 26.787 2.134 0.940 0.862 0.929 0.714 CA 1.367 15 residues pruned to eliminate duplicates C: 13 23.968 2.179 0.499 0.854 1.000 0.667 CA 1.565 D: 15 27.340 2.126 0.850 0.902 0.857 0.571 CA 1.546 15 residues pruned to eliminate duplicates E: 17 23.326 1.936 0.612 0.875 1.000 0.750 CA 1.359 F: 13 22.448 2.138 0.444 0.865 0.917 0.667 CA 1.678 G: 16 26.423 1.946 0.817 0.887 1.000 0.467 CB 1.391 H: 13 25.750 2.206 0.451 0.913 1.000 0.500 CA 1.644 15 residues pruned to eliminate duplicates I: 16 21.311 2.079 0.432 0.885 0.933 0.667 CA 1.430 J: 15 25.541 2.025 0.663 0.888 1.000 0.500 CB 1.460 15 residues pruned to eliminate duplicates K: 13 23.081 2.221 0.396 0.898 0.917 0.667 CA 1.677 13 residues pruned to eliminate duplicates L: 14 24.311 2.110 0.552 0.889 1.000 0.769 CA 1.482 14 residues pruned to eliminate duplicates M: 16 28.645 2.120 0.741 0.846 0.933 0.467 CA 1.595 15 residues pruned to eliminate duplicates N: 12 19.858 2.145 0.506 0.901 0.909 0.818 CA 1.455 12 residues pruned to eliminate duplicates O: 15 29.748 2.198 0.989 0.851 0.857 0.429 CA 1.571 15 residues pruned to eliminate duplicates P: 14 18.507 1.993 0.249 0.843 1.000 0.615 CA 1.535 14 residues pruned to eliminate duplicates Q: 16 32.091 2.196 0.863 0.912 0.933 0.533 CA 1.537 R: 11 19.468 1.976 0.852 0.854 1.000 0.700 CB 1.242 S: 12 19.040 2.178 0.271 0.889 0.909 0.818 CB 1.643 12 residues pruned to eliminate duplicates T: 13 19.834 2.197 0.188 0.870 1.000 0.917 CA 1.600 13 residues pruned to eliminate duplicates U: 13 20.258 2.059 0.424 0.859 0.917 0.833 CA 1.601 12 residues pruned to eliminate duplicates V: 15 22.941 2.054 0.470 0.880 1.000 0.714 CA 1.471 15 residues pruned to eliminate duplicates W: 13 20.183 2.099 0.315 0.909 0.917 0.833 CB 1.635 13 residues pruned to eliminate duplicates X: 13 20.772 2.226 0.238 0.917 0.917 0.750 CA 1.676 13 residues pruned to eliminate duplicates Y: 14 24.307 2.123 0.575 0.932 0.923 0.692 CA 1.525 17 residues pruned to eliminate duplicates Z: 15 17.620 2.058 0.122 0.861 1.000 0.857 CA 1.498 Z: 15 25.255 2.069 0.495 0.849 1.000 0.714 CA 1.618 15 residues pruned to eliminate duplicates Z: 17 23.568 1.925 0.677 0.820 1.000 0.500 CA 1.382 17 residues pruned to eliminate duplicates Z: 17 21.158 2.052 0.675 0.844 0.875 0.688 CB 1.309 17 residues pruned to eliminate duplicates Z: 13 27.338 2.182 0.675 0.874 0.917 0.583 CB 1.715 13 residues pruned to eliminate duplicates Z: 13 20.950 1.962 0.599 0.782 1.000 0.667 CA 1.504 Z: 14 26.577 2.156 0.759 0.886 0.923 0.615 CA 1.519 14 residues pruned to eliminate duplicates Z: 15 24.333 2.109 0.492 0.857 1.000 0.786 CA 1.523 14 residues pruned to eliminate duplicates Z: 14 17.841 2.001 0.127 0.884 1.000 0.769 CA 1.584 14 residues pruned to eliminate duplicates Z: 26 11.800 1.754 0.312 0.403 0.920 0.560 CB 1.235 Z: 14 23.945 2.020 0.571 0.880 0.923 0.538 CA 1.643 13 residues pruned to eliminate duplicates Z: 13 12.883 1.898 0.436 0.885 0.917 0.667 CA 1.075 Z: 12 17.779 2.233 0.212 0.870 0.909 0.636 CA 1.589 13 residues pruned to eliminate duplicates Z: 6 11.990 1.936 0.729 0.841 1.000 0.800 CA 1.194 Z: 14 23.670 2.061 0.539 0.849 1.000 0.462 CA 1.534 15 residues pruned to eliminate duplicates Z: 13 22.757 2.169 0.329 0.898 1.000 0.667 CA 1.630 13 residues pruned to eliminate duplicates Z: 15 20.552 2.006 0.527 0.878 1.000 0.643 CA 1.302 Z: 12 20.607 2.014 0.684 0.867 1.000 0.727 CB 1.339 Z: 14 21.727 2.044 0.774 0.878 0.846 0.154 CB 1.425 14 residues pruned to eliminate duplicates Z: 14 26.244 2.099 0.540 0.937 1.000 0.846 CA 1.568 16 residues pruned to eliminate duplicates Z: 6 7.348 1.925 0.433 0.752 1.000 0.600 CB 0.951 6 residues pruned to eliminate duplicates Z: 11 19.136 2.165 0.312 0.846 1.000 0.800 CA 1.583 11 residues pruned to eliminate duplicates Z: 30 20.584 1.956 0.936 0.448 0.862 0.483 CA 1.236 Z: 14 18.190 2.131 0.073 0.891 1.000 0.923 CA 1.586 14 residues pruned to eliminate duplicates Z: 19 14.480 1.861 0.558 0.517 0.889 0.667 CB 1.302 Z: 10 23.912 2.064 1.151 0.852 1.000 0.556 CB 1.327 Z: 13 23.173 2.084 1.078 0.893 0.917 0.667 CB 1.210 13 residues pruned to eliminate duplicates Z: 14 20.236 1.941 0.579 0.836 1.000 0.615 CB 1.370 11 residues pruned to eliminate duplicates Z: 9 17.671 1.999 0.794 0.838 1.000 0.750 CA 1.303 9 residues pruned to eliminate duplicates Z: 13 17.471 1.964 0.608 0.788 1.000 0.667 CA 1.240 Z: 13 25.895 2.150 0.808 0.930 0.917 0.833 CB 1.467 13 residues pruned to eliminate duplicates Z: 14 25.085 2.046 0.637 0.874 0.923 0.538 CB 1.638 14 residues pruned to eliminate duplicates Z: 27 20.599 2.005 0.610 0.517 0.923 0.500 CA 1.333 27 residues pruned to eliminate duplicates Z: 14 15.159 1.848 0.475 0.916 1.000 0.769 CA 1.090 13 residues pruned to eliminate duplicates Z: 14 22.373 2.120 0.384 0.907 1.000 0.692 CA 1.504 14 residues pruned to eliminate duplicates Z: 14 21.879 2.089 0.685 0.909 0.923 0.769 CA 1.325 13 residues pruned to eliminate duplicates Z: 18 25.449 2.032 0.558 0.894 1.000 0.647 CA 1.399 Z: 16 24.541 1.990 0.613 0.898 1.000 0.600 CA 1.412 16 residues pruned to eliminate duplicates Z: 16 16.165 1.959 0.351 0.817 0.933 0.867 CA 1.283 16 residues pruned to eliminate duplicates Z: 11 14.997 1.924 0.537 0.921 1.000 1.000 CA 1.129 Z: 15 14.710 1.920 0.385 0.916 1.000 0.857 CA 1.044 13 residues pruned to eliminate duplicates Z: 12 17.919 1.864 0.815 0.853 1.000 0.545 CA 1.180 Z: 15 17.147 1.913 0.429 0.915 1.000 0.929 CA 1.185 Z: 13 24.151 2.091 0.642 0.922 0.917 0.833 CA 1.557 14 residues pruned to eliminate duplicates Z: 12 20.193 1.999 0.665 0.892 1.000 0.727 CB 1.314 12 residues pruned to eliminate duplicates Z: 15 23.929 2.127 0.853 0.859 0.786 0.429 CB 1.520 15 residues pruned to eliminate duplicates Z: 6 9.528 1.868 0.405 0.854 1.000 1.000 CA 1.199 6 residues pruned to eliminate duplicates Z: 16 24.401 1.980 0.542 0.890 1.000 0.733 CA 1.485 14 residues pruned to eliminate duplicates Z: 11 16.346 1.849 0.428 0.894 1.000 0.600 CA 1.404 10 residues pruned to eliminate duplicates Z: 11 21.822 2.236 0.581 0.901 0.900 0.800 CA 1.549 11 residues pruned to eliminate duplicates Z: 7 16.449 2.240 0.223 0.852 1.000 0.667 CA 1.813 7 residues pruned to eliminate duplicates Z: 16 27.613 2.179 0.810 0.873 1.000 0.733 CA 1.317 16 residues pruned to eliminate duplicates Z: 18 24.436 2.006 0.812 0.842 0.941 0.647 CA 1.291 18 residues pruned to eliminate duplicates Z: 13 25.375 2.183 0.727 0.890 0.917 0.833 CB 1.524 13 residues pruned to eliminate duplicates Z: 11 10.463 1.936 0.199 0.908 0.900 0.900 CB 1.125 Z: 16 21.725 1.997 0.665 0.846 0.933 0.533 CA 1.343 16 residues pruned to eliminate duplicates Z: 14 37.098 2.178 0.918 0.923 1.000 0.538 CA 1.731 16 residues pruned to eliminate duplicates Z: 11 13.048 1.801 0.437 0.909 1.000 1.000 CB 1.132 10 residues pruned to eliminate duplicates Z: 15 26.686 2.021 0.841 0.858 1.000 0.571 CA 1.411 13 residues pruned to eliminate duplicates Z: 15 19.586 1.972 0.456 0.893 1.000 0.714 CA 1.309 15 residues pruned to eliminate duplicates Z: 14 27.456 2.008 0.946 0.900 0.923 0.308 CA 1.508 14 residues pruned to eliminate duplicates Z: 6 6.559 1.762 0.278 0.562 1.000 0.800 CB 1.227 Z: 14 11.002 1.961 0.125 0.823 0.923 0.385 CA 1.132 Z: 19 15.536 1.985 0.502 0.406 0.944 0.722 CA 1.436 Z: 13 18.744 2.154 0.077 0.924 1.000 0.917 CA 1.638 13 residues pruned to eliminate duplicates Z: 12 17.000 1.872 0.621 0.850 1.000 0.636 CA 1.252 Z: 14 20.615 1.949 0.576 0.854 1.000 0.692 CB 1.375 Z: 7 14.134 2.072 0.535 0.556 1.000 1.000 CA 1.718 7 residues pruned to eliminate duplicates Z: 25 14.477 2.032 0.265 0.432 0.958 0.500 CB 1.287 4 residues pruned to eliminate duplicates Z: 12 14.263 1.971 0.419 0.855 0.909 0.636 CB 1.248 12 residues pruned to eliminate duplicates Z: 14 18.360 2.081 0.142 0.936 1.000 0.769 CA 1.492 14 residues pruned to eliminate duplicates Z: 15 18.162 2.121 0.155 0.894 1.000 0.786 CA 1.422 15 residues pruned to eliminate duplicates Z: 11 16.345 2.065 0.714 0.831 0.900 0.500 CB 1.219 11 residues pruned to eliminate duplicates Z: 17 20.368 2.047 0.418 0.913 1.000 0.938 CA 1.242 14 residues pruned to eliminate duplicates Z: 6 11.565 1.993 0.871 0.576 1.000 0.800 CB 1.289 Z: 44 22.558 1.981 0.427 0.533 0.930 0.628 CA 1.265 42 residues pruned to eliminate duplicates Z: 15 20.869 1.952 0.607 0.868 0.929 0.714 CA 1.400 15 residues pruned to eliminate duplicates Z: 13 19.513 2.006 0.722 0.849 0.917 0.750 CB 1.319 13 residues pruned to eliminate duplicates Z: 9 7.095 1.662 0.475 0.785 1.000 0.750 CB 0.796 Z: 14 27.101 2.209 0.663 0.900 1.000 0.769 CA 1.462 15 residues pruned to eliminate duplicates Z: 14 22.657 1.964 0.539 0.911 1.000 0.846 CA 1.473 14 residues pruned to eliminate duplicates Z: 14 20.200 2.032 0.465 0.875 1.000 0.615 CB 1.369 14 residues pruned to eliminate duplicates Z: 62 36.710 2.029 0.684 0.582 0.902 0.656 CA 1.410 31 residues pruned to eliminate duplicates Z: 12 17.298 1.917 0.537 0.887 1.000 0.727 CA 1.276 11 residues pruned to eliminate duplicates Z: 13 19.609 2.107 0.517 0.898 1.000 0.667 CB 1.267 13 residues pruned to eliminate duplicates Z: 12 12.216 1.742 0.551 0.808 1.000 0.818 CA 1.043 Z: 13 20.145 2.061 0.673 0.907 0.917 0.750 CB 1.307 13 residues pruned to eliminate duplicates Z: 17 16.603 1.931 0.506 0.789 0.938 0.625 CA 1.181 16 residues pruned to eliminate duplicates Z: 6 11.628 1.948 0.646 0.776 1.000 1.000 CA 1.270 Z: 13 17.520 2.019 0.573 0.832 1.000 0.833 CB 1.195 13 residues pruned to eliminate duplicates Z: 7 6.060 1.555 0.631 0.539 0.667 0.500 N 1.408 Z: 13 19.953 1.979 0.515 0.853 1.000 0.750 CA 1.420 12 residues pruned to eliminate duplicates Z: 38 29.305 2.075 0.675 0.517 0.946 0.541 CA 1.441 38 residues pruned to eliminate duplicates Z: 9 22.273 2.112 0.834 0.884 1.000 0.750 CA 1.469 9 residues pruned to eliminate duplicates Z: 13 24.835 2.187 0.496 0.895 0.917 0.750 CA 1.713 13 residues pruned to eliminate duplicates Z: 17 25.992 2.102 0.603 0.910 1.000 0.938 CA 1.368 17 residues pruned to eliminate duplicates Z: 15 20.037 1.930 0.601 0.845 1.000 0.857 CA 1.289 15 residues pruned to eliminate duplicates Z: 14 23.802 2.187 0.477 0.885 1.000 0.615 CA 1.475 14 residues pruned to eliminate duplicates Z: 13 20.003 2.068 0.668 0.862 0.917 0.333 CA 1.341 13 residues pruned to eliminate duplicates Z: 14 18.087 2.072 0.410 0.916 0.846 0.769 CA 1.433 14 residues pruned to eliminate duplicates Z: 41 24.679 1.911 0.667 0.535 0.925 0.575 CA 1.280 13 residues pruned to eliminate duplicates Z: 52 27.381 1.978 0.601 0.471 0.882 0.471 CA 1.413 36 residues pruned to eliminate duplicates Z: 16 20.725 2.099 0.464 0.888 1.000 0.867 CA 1.254 16 residues pruned to eliminate duplicates Z: 16 26.559 2.199 0.597 0.871 0.933 0.467 CA 1.526 16 residues pruned to eliminate duplicates Z: 11 21.874 2.283 0.262 0.920 1.000 0.700 CB 1.691 11 residues pruned to eliminate duplicates Z: 15 17.981 1.939 0.539 0.908 1.000 0.643 CA 1.144 13 residues pruned to eliminate duplicates Z: 14 26.841 2.146 0.660 0.898 1.000 0.615 CA 1.495 15 residues pruned to eliminate duplicates Z: 12 13.474 1.925 0.499 0.528 1.000 0.727 CA 1.369 Z: 16 28.548 2.146 0.638 0.891 1.000 0.533 CA 1.508 16 residues pruned to eliminate duplicates Z: 9 10.347 1.716 0.863 0.813 1.000 0.875 CB 0.871 12 residues pruned to eliminate duplicates Z: 15 33.880 2.155 1.191 0.868 0.929 0.357 CA 1.510 15 residues pruned to eliminate duplicates Z: 16 19.300 1.780 0.757 0.877 1.000 0.733 CA 1.157 16 residues pruned to eliminate duplicates Z: 19 17.029 2.028 0.399 0.700 0.944 0.667 CA 1.249 25 residues pruned to eliminate duplicates Z: 17 27.816 2.089 0.627 0.877 0.938 0.562 CA 1.585 17 residues pruned to eliminate duplicates Z: 15 25.850 2.054 0.960 0.898 0.929 0.643 CA 1.322 15 residues pruned to eliminate duplicates Z: 6 4.169 1.817 0.770 0.563 0.800 0.800 CB 0.681 Z: 52 36.319 2.074 0.657 0.590 0.922 0.608 CB 1.473 52 residues pruned to eliminate duplicates Z: 15 23.258 1.991 0.791 0.839 0.929 0.500 CA 1.402 14 residues pruned to eliminate duplicates Z: 18 17.018 1.833 0.527 0.874 1.000 0.765 CA 1.073 16 residues pruned to eliminate duplicates Z: 34 20.523 1.970 0.431 0.428 0.939 0.515 CA 1.454 15 residues pruned to eliminate duplicates Z: 20 10.162 1.998 0.295 0.389 0.789 0.421 CA 1.284 20 residues pruned to eliminate duplicates Z: 15 33.948 2.141 1.023 0.884 1.000 0.643 CA 1.514 14 residues pruned to eliminate duplicates Z: 11 19.674 2.014 0.793 0.891 1.000 0.800 CA 1.238 12 residues pruned to eliminate duplicates Z: 16 16.864 2.054 0.139 0.841 1.000 0.800 CA 1.388 16 residues pruned to eliminate duplicates Z: 12 18.173 2.041 0.553 0.899 1.000 0.636 CB 1.236 12 residues pruned to eliminate duplicates Z: 55 32.551 2.036 0.625 0.552 0.926 0.574 CB 1.374 33 residues pruned to eliminate duplicates Z: 7 6.403 1.606 0.537 0.503 1.000 0.667 N 1.055 Z: 15 19.704 2.103 0.240 0.898 1.000 0.786 CA 1.445 15 residues pruned to eliminate duplicates Z: 10 13.235 1.952 0.642 0.901 0.889 0.778 CB 1.106 10 residues pruned to eliminate duplicates Z: 33 22.785 2.031 0.533 0.420 0.906 0.562 CA 1.552 34 residues pruned to eliminate duplicates Z: 64 31.073 2.034 0.475 0.495 0.921 0.556 CB 1.424 55 residues pruned to eliminate duplicates Z: 17 22.615 2.017 0.479 0.850 1.000 0.688 CA 1.405 17 residues pruned to eliminate duplicates Z: 10 13.106 1.888 0.646 0.893 0.778 0.444 CB 1.298 10 residues pruned to eliminate duplicates Z: 12 29.701 2.191 0.929 0.926 1.000 0.455 CB 1.485 12 residues pruned to eliminate duplicates Z: 26 22.822 2.007 0.751 0.542 0.960 0.800 CA 1.299 26 residues pruned to eliminate duplicates Z: 46 36.988 2.088 0.754 0.637 0.889 0.333 CA 1.490 43 residues pruned to eliminate duplicates Z: 6 9.724 1.866 0.562 0.742 1.000 0.400 CA 1.201 6 residues pruned to eliminate duplicates Z: 13 14.806 1.756 0.578 0.821 1.000 0.583 CB 1.167 11 residues pruned to eliminate duplicates Z: 10 9.805 1.885 0.571 0.403 1.000 0.667 CB 1.222 Z: 8 9.859 1.758 0.331 0.890 1.000 0.857 CB 1.146 8 residues pruned to eliminate duplicates Z: 52 29.084 1.937 0.671 0.527 0.863 0.471 CA 1.420 54 residues pruned to eliminate duplicates Z: 13 29.540 2.143 1.045 0.875 0.917 0.667 CB 1.544 16 residues pruned to eliminate duplicates Z: 17 21.155 1.778 0.883 0.827 1.000 0.688 CB 1.190 17 residues pruned to eliminate duplicates Z: 9 6.973 1.759 0.686 0.842 1.000 0.625 CB 0.619 9 residues pruned to eliminate duplicates Z: 6 7.995 1.983 0.113 0.855 1.000 0.600 CA 1.195 6 residues pruned to eliminate duplicates Z: 19 21.285 1.949 0.789 0.780 0.944 0.556 CA 1.190 19 residues pruned to eliminate duplicates Z: 11 6.407 1.754 0.269 0.422 0.800 0.300 CA 1.233 Z: 16 18.651 2.045 0.256 0.908 1.000 0.933 CA 1.331 16 residues pruned to eliminate duplicates Z: 6 9.998 1.887 0.244 0.877 1.000 1.000 CA 1.383 6 residues pruned to eliminate duplicates Z: 55 36.115 2.104 0.571 0.583 0.926 0.667 CB 1.483 55 residues pruned to eliminate duplicates Z: 16 19.815 2.040 0.296 0.843 1.000 0.867 CA 1.441 16 residues pruned to eliminate duplicates Z: 10 14.647 1.930 0.996 0.449 1.000 0.667 CB 1.336 Z: 11 12.955 1.729 0.547 0.907 1.000 0.900 CA 1.089 11 residues pruned to eliminate duplicates Z: 14 14.564 1.848 0.709 0.746 0.923 0.538 CA 1.112 15 residues pruned to eliminate duplicates Z: 15 13.378 1.917 0.775 0.336 1.000 0.714 CB 1.257 Z: 15 24.916 2.169 0.732 0.870 0.929 0.714 CA 1.393 15 residues pruned to eliminate duplicates Z: 12 23.528 1.933 0.843 0.910 1.000 0.636 CA 1.413 12 residues pruned to eliminate duplicates Z: 63 34.600 2.000 0.562 0.587 0.935 0.710 CB 1.384 41 residues pruned to eliminate duplicates Z: 12 25.661 1.917 0.880 0.927 1.000 0.545 CA 1.504 Z: 14 26.627 2.069 0.603 0.863 1.000 0.692 CB 1.634 14 residues pruned to eliminate duplicates Z: 58 36.191 2.019 0.725 0.548 0.912 0.561 CA 1.439 36 residues pruned to eliminate duplicates Z: 15 27.374 2.129 0.743 0.890 0.857 0.357 CA 1.654 15 residues pruned to eliminate duplicates Z: 19 15.878 1.842 0.247 0.813 1.000 0.611 CA 1.240 19 residues pruned to eliminate duplicates Z: 17 22.561 2.056 0.520 0.863 0.938 0.875 CA 1.412 17 residues pruned to eliminate duplicates Z: 12 14.300 2.126 0.337 0.901 0.909 0.818 CB 1.191 12 residues pruned to eliminate duplicates Z: 66 31.578 1.979 0.562 0.519 0.938 0.538 CB 1.325 66 residues pruned to eliminate duplicates Z: 13 3.879 1.495 0.367 0.169 0.917 0.583 CA 0.894 Z: 14 22.178 2.034 0.690 0.913 0.923 0.615 CA 1.372 14 residues pruned to eliminate duplicates Z: 9 16.159 2.009 0.782 0.869 1.000 0.625 CB 1.166 9 residues pruned to eliminate duplicates Z: 13 18.002 2.203 0.257 0.879 1.000 0.917 CA 1.361 13 residues pruned to eliminate duplicates Z: 12 15.060 1.878 0.238 0.896 1.000 0.818 CA 1.398 12 residues pruned to eliminate duplicates Z: 15 28.740 2.066 0.885 0.894 0.857 0.357 CA 1.650 15 residues pruned to eliminate duplicates Z: 7 10.601 1.792 0.644 0.815 1.000 0.833 CA 1.117 7 residues pruned to eliminate duplicates Z: 17 23.960 2.026 0.529 0.900 0.938 0.875 CA 1.473 17 residues pruned to eliminate duplicates Z: 16 23.037 2.094 0.440 0.904 1.000 0.800 CA 1.405 16 residues pruned to eliminate duplicates Z: 12 20.668 2.158 0.435 0.837 0.909 0.545 CA 1.656 12 residues pruned to eliminate duplicates Z: 9 5.913 1.896 0.282 0.332 0.875 0.375 CA 1.181 9 residues pruned to eliminate duplicates Z: 14 14.134 1.899 0.562 0.774 0.846 0.769 CA 1.226 14 residues pruned to eliminate duplicates Z: 8 13.331 1.810 0.581 0.841 1.000 0.571 CA 1.314 Z: 10 15.060 1.993 0.784 0.857 0.889 0.778 CB 1.171 10 residues pruned to eliminate duplicates Z: 12 18.723 2.236 0.086 0.894 1.000 0.909 CA 1.668 12 residues pruned to eliminate duplicates Z: 57 33.813 2.045 0.635 0.548 0.929 0.500 CA 1.389 83 residues pruned to eliminate duplicates Z: 47 28.197 2.038 0.555 0.511 0.935 0.630 CB 1.388 47 residues pruned to eliminate duplicates Z: 22 13.676 1.786 0.318 0.455 0.952 0.476 CB 1.394 23 residues pruned to eliminate duplicates Z: 11 17.547 2.198 0.628 0.819 0.800 0.800 CA 1.470 11 residues pruned to eliminate duplicates Z: 11 7.118 1.848 0.501 0.350 0.800 0.500 CB 1.194 10 residues pruned to eliminate duplicates Z: 9 11.155 1.978 0.394 0.843 0.875 0.375 CA 1.217 9 residues pruned to eliminate duplicates Z: 31 22.025 2.022 0.435 0.576 0.900 0.767 CB 1.431 32 residues pruned to eliminate duplicates Z: 18 17.961 1.854 0.472 0.866 1.000 0.588 CA 1.169 18 residues pruned to eliminate duplicates Z: 15 24.435 2.033 0.765 0.848 1.000 0.643 CA 1.350 15 residues pruned to eliminate duplicates Z: 14 21.765 2.024 0.630 0.823 1.000 0.692 CA 1.383 14 residues pruned to eliminate duplicates Z: 14 23.036 1.890 0.792 0.813 1.000 0.769 CA 1.437 14 residues pruned to eliminate duplicates Z: 15 19.196 1.975 0.736 0.877 0.929 0.786 CA 1.170 15 residues pruned to eliminate duplicates Z: 6 4.842 1.758 0.200 0.739 1.000 0.600 CA 0.829 6 residues pruned to eliminate duplicates Z: 11 17.607 1.924 0.632 0.904 1.000 0.800 CA 1.263 11 residues pruned to eliminate duplicates Z: 47 22.799 1.931 0.653 0.453 0.826 0.457 CA 1.338 47 residues pruned to eliminate duplicates Z: 32 25.533 1.988 0.702 0.614 0.935 0.516 CA 1.301 23 residues pruned to eliminate duplicates Z: 13 18.300 2.170 0.295 0.909 0.917 0.917 CA 1.456 13 residues pruned to eliminate duplicates Z: 12 18.790 1.887 0.759 0.899 0.909 0.636 CA 1.343 12 residues pruned to eliminate duplicates Z: 11 17.226 1.941 0.416 0.917 1.000 0.700 CA 1.398 11 residues pruned to eliminate duplicates Z: 20 12.127 1.741 0.678 0.305 0.947 0.579 CB 1.249 10 residues pruned to eliminate duplicates Z: 13 15.280 2.069 0.682 0.847 0.833 0.667 CB 1.129 13 residues pruned to eliminate duplicates Z: 11 17.089 1.936 0.648 0.894 1.000 0.700 CA 1.215 11 residues pruned to eliminate duplicates Z: 17 18.091 2.053 0.676 0.653 0.875 0.438 CB 1.302 17 residues pruned to eliminate duplicates Z: 19 9.451 1.709 0.249 0.513 0.889 0.444 CB 1.159 19 residues pruned to eliminate duplicates Z: 8 10.818 1.874 0.742 0.792 0.857 0.714 CA 1.131 8 residues pruned to eliminate duplicates Z: 11 17.886 1.915 0.483 0.889 1.000 0.900 CA 1.434 11 residues pruned to eliminate duplicates Z: 38 17.744 1.913 0.459 0.373 0.865 0.514 CB 1.384 37 residues pruned to eliminate duplicates Z: 28 19.570 1.943 0.606 0.543 0.889 0.667 CB 1.302 28 residues pruned to eliminate duplicates Z: 16 17.723 1.732 0.727 0.854 0.867 0.800 CA 1.304 Z: 13 22.560 2.203 0.296 0.896 1.000 0.917 CA 1.634 13 residues pruned to eliminate duplicates Z: 12 15.531 1.876 0.493 0.895 1.000 0.818 CA 1.199 12 residues pruned to eliminate duplicates Z: 33 25.859 2.042 0.648 0.516 0.938 0.438 CB 1.426 33 residues pruned to eliminate duplicates Z: 14 17.390 1.900 0.613 0.896 1.000 0.615 CA 1.128 14 residues pruned to eliminate duplicates Z: 18 20.385 1.980 0.682 0.807 0.941 0.353 CA 1.206 18 residues pruned to eliminate duplicates Z: 6 11.045 1.919 0.401 0.834 1.000 1.000 CA 1.377 Z: 15 29.151 2.106 0.859 0.924 0.929 0.357 CA 1.505 15 residues pruned to eliminate duplicates Z: 12 22.429 1.856 0.835 0.920 1.000 0.636 CA 1.398 12 residues pruned to eliminate duplicates Z: 13 9.985 1.599 0.452 0.866 1.000 0.750 CA 0.909 13 residues pruned to eliminate duplicates Z: 12 16.214 1.991 0.589 0.844 0.818 0.818 CA 1.405 12 residues pruned to eliminate duplicates Z: 7 6.787 1.851 0.045 0.857 0.833 0.667 CA 1.267 7 residues pruned to eliminate duplicates Z: 39 24.382 2.020 0.486 0.467 0.974 0.474 CA 1.400 39 residues pruned to eliminate duplicates Z: 40 28.460 2.010 0.864 0.582 0.795 0.410 CB 1.415 40 residues pruned to eliminate duplicates Z: 6 6.428 1.913 0.210 0.512 0.800 0.600 CA 1.534 8 residues pruned to eliminate duplicates Z: 15 21.364 2.233 0.319 0.900 1.000 1.000 CA 1.384 15 residues pruned to eliminate duplicates Z: 6 8.664 1.664 0.607 0.713 1.000 0.800 N 1.194 Z: 17 10.681 1.995 0.321 0.386 0.938 0.500 CA 1.219 17 residues pruned to eliminate duplicates Z: 16 18.677 1.843 0.671 0.908 0.933 0.600 CB 1.191 16 residues pruned to eliminate duplicates Z: 8 4.314 1.912 0.223 0.457 0.857 0.714 CB 0.850 Z: 15 18.552 1.794 0.795 0.755 0.929 0.429 CA 1.321 15 residues pruned to eliminate duplicates Z: 7 5.135 1.907 -0.120 0.695 0.833 0.833 CB 1.255 7 residues pruned to eliminate duplicates Z: 60 40.934 2.111 0.558 0.614 0.949 0.644 CA 1.534 57 residues pruned to eliminate duplicates Z: 10 6.732 1.643 0.682 0.885 0.778 0.556 CB 0.754 Z: 11 16.155 1.960 0.504 0.904 1.000 0.900 CA 1.234 11 residues pruned to eliminate duplicates Z: 7 6.031 1.622 0.643 0.683 0.833 0.333 N 0.937 7 residues pruned to eliminate duplicates Z: 17 17.192 2.045 0.315 0.783 0.875 0.625 CA 1.424 17 residues pruned to eliminate duplicates Z: 19 10.313 1.824 0.536 0.327 0.778 0.722 CA 1.348 19 residues pruned to eliminate duplicates Z: 13 15.738 1.800 0.629 0.839 1.000 0.833 CB 1.157 13 residues pruned to eliminate duplicates Z: 13 19.924 2.005 0.663 0.910 0.917 0.750 CB 1.334 13 residues pruned to eliminate duplicates Z: 7 8.635 1.834 0.542 0.795 1.000 0.667 CA 0.963 Z: 12 17.397 1.816 0.686 0.914 0.909 0.818 CA 1.332 12 residues pruned to eliminate duplicates Z: 20 10.356 1.749 0.603 0.456 0.789 0.526 CA 1.122 8 residues pruned to eliminate duplicates Z: 27 18.649 1.824 0.527 0.579 0.885 0.654 CA 1.375 13 residues pruned to eliminate duplicates Z: 13 16.360 1.974 0.376 0.827 0.917 0.833 CA 1.430 13 residues pruned to eliminate duplicates Z: 17 17.669 1.924 0.485 0.886 1.000 0.812 CA 1.116 17 residues pruned to eliminate duplicates Z: 15 21.091 1.858 0.695 0.796 1.000 0.643 CA 1.381 16 residues pruned to eliminate duplicates Z: 13 18.653 2.157 0.157 0.862 1.000 0.750 CA 1.585 13 residues pruned to eliminate duplicates Z: 10 21.868 2.204 0.550 0.914 1.000 0.889 CA 1.508 10 residues pruned to eliminate duplicates Z: 13 21.139 2.055 0.532 0.895 1.000 0.917 CB 1.389 13 residues pruned to eliminate duplicates Z: 8 4.701 1.665 0.022 0.728 0.714 0.571 CA 1.191 8 residues pruned to eliminate duplicates Z: 13 17.868 1.993 0.482 0.802 0.917 0.750 CA 1.464 13 residues pruned to eliminate duplicates Z: 16 13.144 1.856 0.571 0.382 1.000 0.467 CB 1.320 16 residues pruned to eliminate duplicates Z: 13 18.877 2.140 0.095 0.912 1.000 0.917 CA 1.648 13 residues pruned to eliminate duplicates Z: 50 32.963 2.109 0.609 0.539 0.898 0.653 CA 1.487 50 residues pruned to eliminate duplicates Z: 19 18.767 2.015 0.504 0.720 0.944 0.611 CA 1.268 19 residues pruned to eliminate duplicates Z: 16 17.232 1.987 0.335 0.895 1.000 0.867 CA 1.202 16 residues pruned to eliminate duplicates Z: 12 15.735 2.045 0.425 0.872 0.909 0.545 CB 1.305 12 residues pruned to eliminate duplicates Z: 47 34.831 2.069 0.787 0.625 0.891 0.543 CB 1.386 47 residues pruned to eliminate duplicates Z: 14 20.648 2.066 0.378 0.898 1.000 0.692 CA 1.439 14 residues pruned to eliminate duplicates Z: 6 3.606 1.732 0.045 0.449 1.000 0.600 CB 0.938 Z: 44 20.982 1.829 0.647 0.471 0.884 0.302 CA 1.238 22 residues pruned to eliminate duplicates Z: 9 6.134 1.652 0.420 0.598 0.875 0.625 CA 0.963 9 residues pruned to eliminate duplicates Z: 10 23.345 1.953 0.911 0.903 1.000 0.556 CA 1.486 12 residues pruned to eliminate duplicates Z: 23 22.903 2.080 0.429 0.661 0.955 0.818 CA 1.481 15 residues pruned to eliminate duplicates Z: 57 30.283 2.004 0.615 0.562 0.911 0.732 CB 1.293 57 residues pruned to eliminate duplicates Z: 21 20.864 1.779 0.807 0.735 0.950 0.700 CA 1.237 21 residues pruned to eliminate duplicates Z: 11 14.412 1.964 0.400 0.905 1.000 0.900 CA 1.180 11 residues pruned to eliminate duplicates Z: 40 22.614 1.963 0.575 0.458 0.897 0.590 CA 1.362 40 residues pruned to eliminate duplicates Z: 16 21.221 2.024 0.346 0.908 1.000 0.933 CA 1.429 16 residues pruned to eliminate duplicates Z: 15 31.012 2.129 0.998 0.884 0.929 0.500 CA 1.515 15 residues pruned to eliminate duplicates Z: 54 23.071 1.906 0.382 0.558 0.868 0.698 CA 1.310 40 residues pruned to eliminate duplicates Z: 10 9.809 1.580 0.386 0.829 0.889 0.444 CA 1.263 10 residues pruned to eliminate duplicates Z: 15 14.973 2.073 0.355 0.486 0.929 0.643 CB 1.556 15 residues pruned to eliminate duplicates Z: 15 29.264 2.204 0.918 0.871 0.929 0.357 CA 1.453 15 residues pruned to eliminate duplicates Z: 19 15.003 1.966 0.649 0.546 0.722 0.333 CA 1.444 19 residues pruned to eliminate duplicates Z: 8 7.985 1.664 0.911 0.598 0.857 0.571 CB 1.009 Z: 6 5.321 1.607 0.442 0.650 0.800 0.600 CB 1.116 6 residues pruned to eliminate duplicates Z: 67 38.748 2.072 0.439 0.642 0.955 0.667 CA 1.467 61 residues pruned to eliminate duplicates Z: 7 7.375 1.818 0.578 0.771 0.833 0.667 CB 0.991 7 residues pruned to eliminate duplicates Z: 13 17.576 1.994 0.272 0.878 1.000 0.750 CA 1.451 13 residues pruned to eliminate duplicates Z: 14 13.760 1.904 0.463 0.819 0.846 0.385 CA 1.227 14 residues pruned to eliminate duplicates Z: 14 32.839 2.196 0.687 0.928 1.000 0.615 CA 1.722 15 residues pruned to eliminate duplicates Z: 10 8.806 1.887 0.130 0.685 0.778 0.444 CB 1.493 10 residues pruned to eliminate duplicates Z: 21 10.444 1.779 0.513 0.307 0.900 0.450 CA 1.194 21 residues pruned to eliminate duplicates Z: 7 5.662 1.526 0.625 0.581 0.833 0.500 CA 1.035 Z: 13 15.165 1.972 0.459 0.870 0.917 0.583 CB 1.211 13 residues pruned to eliminate duplicates Z: 17 10.241 2.017 0.310 0.388 0.875 0.562 CA 1.247 17 residues pruned to eliminate duplicates Z: 45 25.616 1.916 0.652 0.529 0.909 0.568 CA 1.304 39 residues pruned to eliminate duplicates Z: 15 17.352 1.795 0.555 0.796 1.000 0.786 CA 1.282 15 residues pruned to eliminate duplicates Z: 10 23.315 2.156 0.695 0.935 1.000 0.556 CB 1.483 10 residues pruned to eliminate duplicates Z: 28 30.786 2.113 0.676 0.657 0.926 0.556 CA 1.561 28 residues pruned to eliminate duplicates Z: 10 9.630 1.783 0.496 0.863 0.889 0.667 CA 0.993 10 residues pruned to eliminate duplicates Z: 15 21.331 1.886 0.926 0.851 0.929 0.357 CA 1.252 15 residues pruned to eliminate duplicates Z: 12 5.422 1.826 0.266 0.309 0.636 0.364 CB 1.375 12 residues pruned to eliminate duplicates Z: 17 18.905 2.009 0.707 0.441 1.000 0.688 CA 1.465 17 residues pruned to eliminate duplicates Z: 12 18.608 2.093 0.347 0.917 1.000 1.000 CB 1.404 12 residues pruned to eliminate duplicates Z: 13 15.728 1.869 0.797 0.835 0.917 0.750 CA 1.105 13 residues pruned to eliminate duplicates Z: 12 17.090 1.845 0.420 0.923 1.000 0.818 CA 1.383 12 residues pruned to eliminate duplicates Z: 14 17.953 1.767 0.717 0.924 1.000 0.846 CA 1.153 14 residues pruned to eliminate duplicates Z: 16 14.900 1.875 0.379 0.802 0.933 0.667 CA 1.224 16 residues pruned to eliminate duplicates Z: 11 8.643 1.516 0.405 0.876 1.000 0.900 CB 0.933 Z: 10 9.942 1.852 0.479 0.435 1.000 0.667 CB 1.294 10 residues pruned to eliminate duplicates Z: 13 10.491 1.775 0.843 0.321 0.750 0.250 CA 1.504 13 residues pruned to eliminate duplicates Z: 15 23.148 2.176 0.486 0.881 1.000 0.857 CA 1.385 15 residues pruned to eliminate duplicates Z: 16 22.639 2.155 0.441 0.907 1.000 0.800 CA 1.338 16 residues pruned to eliminate duplicates Z: 9 8.284 1.753 0.610 0.638 0.750 0.500 CA 1.216 9 residues pruned to eliminate duplicates Z: 10 6.048 1.780 0.363 0.505 0.889 0.667 CB 0.930 Z: 10 23.251 2.120 0.917 0.918 1.000 0.667 CB 1.345 10 residues pruned to eliminate duplicates Z: 14 10.816 1.891 0.262 0.414 0.923 0.538 CA 1.490 14 residues pruned to eliminate duplicates Z: 6 7.365 1.722 0.300 0.847 1.000 1.000 CB 1.092 Z: 62 36.878 2.015 0.619 0.551 0.984 0.590 CA 1.399 62 residues pruned to eliminate duplicates Z: 6 5.534 1.686 0.270 0.792 0.800 0.800 CB 1.118 6 residues pruned to eliminate duplicates Z: 10 7.524 1.707 0.346 0.528 1.000 0.667 CA 1.062 10 residues pruned to eliminate duplicates Z: 62 32.911 2.001 0.653 0.486 0.918 0.525 CB 1.408 62 residues pruned to eliminate duplicates Z: 17 24.770 2.005 0.684 0.869 0.938 0.375 CA 1.428 17 residues pruned to eliminate duplicates Z: 11 6.655 1.775 0.503 0.484 0.800 0.600 CB 1.003 11 residues pruned to eliminate duplicates Z: 26 22.902 2.029 0.565 0.586 0.920 0.800 CB 1.443 26 residues pruned to eliminate duplicates Z: 7 6.862 1.713 0.379 0.648 0.833 0.667 O 1.239 7 residues pruned to eliminate duplicates Z: 9 3.253 1.586 0.061 0.443 0.750 0.375 CB 0.966 Z: 11 13.171 1.906 0.123 0.909 1.000 0.900 CA 1.382 11 residues pruned to eliminate duplicates Z: 6 7.339 2.088 0.046 0.700 1.000 0.600 CA 1.252 6 residues pruned to eliminate duplicates Z: 62 41.799 2.083 0.517 0.622 0.984 0.689 CB 1.535 65 residues pruned to eliminate duplicates Z: 18 10.140 1.796 0.371 0.439 0.941 0.529 CA 1.131 18 residues pruned to eliminate duplicates Z: 16 32.450 2.166 0.966 0.889 1.000 0.867 CA 1.416 16 residues pruned to eliminate duplicates Z: 35 14.004 1.874 0.430 0.449 0.824 0.324 CB 1.147 35 residues pruned to eliminate duplicates Z: 12 21.121 1.900 0.647 0.874 1.000 0.545 CA 1.480 12 residues pruned to eliminate duplicates Z: 14 30.155 2.096 0.738 0.921 1.000 0.615 CA 1.615 14 residues pruned to eliminate duplicates Z: 18 11.366 1.767 0.724 0.299 0.941 0.529 CB 1.202 18 residues pruned to eliminate duplicates Z: 19 12.858 2.008 0.426 0.407 0.944 0.556 CB 1.236 19 residues pruned to eliminate duplicates Z: 9 7.384 1.600 0.460 0.475 1.000 0.750 CA 1.146 Z: 14 8.153 1.474 0.528 0.466 0.846 0.615 N 1.228 Z: 30 28.606 2.086 0.680 0.602 0.931 0.655 CA 1.477 30 residues pruned to eliminate duplicates Z: 18 9.710 1.689 0.432 0.382 0.941 0.529 CA 1.173 18 residues pruned to eliminate duplicates Z: 8 7.444 1.918 0.102 0.838 1.000 0.714 CA 0.995 8 residues pruned to eliminate duplicates Z: 7 10.342 1.852 0.553 0.836 1.000 0.667 CA 1.099 7 residues pruned to eliminate duplicates Z: 11 9.218 1.664 0.469 0.495 1.000 0.700 CA 1.198 11 residues pruned to eliminate duplicates Z: 7 9.781 1.859 0.916 0.846 0.833 0.500 CB 0.999 6 residues pruned to eliminate duplicates Z: 15 12.729 1.918 0.579 0.446 0.857 0.571 CA 1.385 15 residues pruned to eliminate duplicates Z: 12 24.613 2.007 1.017 0.909 1.000 0.364 CA 1.301 12 residues pruned to eliminate duplicates Z: 15 16.892 1.907 0.606 0.839 0.929 0.714 CA 1.185 15 residues pruned to eliminate duplicates Z: 30 18.230 1.814 0.562 0.563 0.897 0.655 CA 1.254 27 residues pruned to eliminate duplicates Z: 16 28.682 2.167 0.829 0.876 0.933 0.400 CA 1.456 16 residues pruned to eliminate duplicates 6 1.502 1.388 -0.305 0.588 0.800 0.800 CB 0.800 ? Z: 36 22.085 1.978 0.492 0.455 0.943 0.600 CB 1.405 36 residues pruned to eliminate duplicates Z: 36 25.095 2.070 0.557 0.509 0.914 0.600 CA 1.426 36 residues pruned to eliminate duplicates Z: 13 11.974 1.937 0.452 0.415 1.000 0.750 CB 1.343 13 residues pruned to eliminate duplicates Z: 30 16.142 1.844 0.533 0.546 0.897 0.586 CB 1.130 30 residues pruned to eliminate duplicates Z: 64 37.149 2.069 0.498 0.611 0.937 0.619 CA 1.451 64 residues pruned to eliminate duplicates Z: 75 32.800 1.961 0.651 0.445 0.878 0.514 CA 1.418 76 residues pruned to eliminate duplicates Z: 8 11.203 2.014 0.657 0.898 1.000 1.000 CA 0.908 8 residues pruned to eliminate duplicates Z: 32 23.463 1.973 0.902 0.499 0.871 0.677 CA 1.292 32 residues pruned to eliminate duplicates Z: 16 19.012 1.998 0.723 0.874 0.733 0.467 CA 1.414 16 residues pruned to eliminate duplicates Z: 29 18.546 2.020 0.536 0.538 0.821 0.500 CB 1.325 29 residues pruned to eliminate duplicates Z: 15 7.922 1.718 0.716 0.308 0.786 0.500 CA 1.132 15 residues pruned to eliminate duplicates Z: 9 5.774 1.749 0.652 0.649 0.875 0.625 CA 0.703 9 residues pruned to eliminate duplicates Z: 12 5.961 1.580 0.321 0.419 0.909 0.545 CB 1.030 Z: 37 25.748 1.995 0.709 0.490 0.944 0.556 CA 1.346 59 residues pruned to eliminate duplicates Z: 18 22.780 2.066 0.378 0.843 1.000 0.647 CA 1.445 18 residues pruned to eliminate duplicates Z: 21 9.242 1.949 0.100 0.357 0.950 0.450 CA 1.185 21 residues pruned to eliminate duplicates Z: 9 3.333 1.438 0.414 0.296 0.750 0.375 CA 0.971 Z: 8 13.496 1.921 0.891 0.890 1.000 0.857 CB 1.010 8 residues pruned to eliminate duplicates Z: 12 22.287 2.051 0.724 0.873 0.909 0.364 CB 1.523 12 residues pruned to eliminate duplicates Z: 14 14.350 1.858 0.375 0.773 1.000 0.692 CA 1.224 14 residues pruned to eliminate duplicates Z: 17 27.558 2.038 0.720 0.915 1.000 0.938 CA 1.389 17 residues pruned to eliminate duplicates Z: 67 38.618 2.065 0.454 0.616 0.970 0.742 CB 1.463 63 residues pruned to eliminate duplicates Z: 15 13.247 1.941 0.607 0.325 1.000 0.714 CB 1.376 15 residues pruned to eliminate duplicates Z: 16 26.844 2.199 0.590 0.904 1.000 0.800 CA 1.412 16 residues pruned to eliminate duplicates Z: 8 5.491 1.659 0.572 0.634 0.857 0.714 N 0.818 Z: 28 17.652 1.900 0.536 0.564 0.815 0.593 CA 1.343 28 residues pruned to eliminate duplicates Z: 26 22.918 1.972 0.696 0.537 0.920 0.520 CB 1.436 26 residues pruned to eliminate duplicates Z: 14 11.210 1.738 0.749 0.434 0.769 0.615 CB 1.423 14 residues pruned to eliminate duplicates Z: 18 7.473 1.614 0.229 0.328 0.824 0.529 CA 1.340 18 residues pruned to eliminate duplicates Z: 9 13.206 1.730 0.553 0.876 1.000 0.750 N 1.263 7 residues pruned to eliminate duplicates Z: 35 26.692 2.035 0.587 0.570 0.912 0.676 CB 1.453 35 residues pruned to eliminate duplicates Z: 13 7.140 1.790 0.392 0.291 0.917 0.417 CB 1.140 13 residues pruned to eliminate duplicates Z: 8 4.863 1.724 0.759 0.430 0.714 0.429 CB 0.913 8 residues pruned to eliminate duplicates Z: 40 24.869 1.961 0.660 0.524 0.872 0.564 CA 1.370 40 residues pruned to eliminate duplicates Z: 13 20.605 1.940 0.709 0.864 0.833 0.417 CA 1.578 Z: 31 28.767 2.122 0.627 0.556 0.967 0.533 CA 1.491 31 residues pruned to eliminate duplicates Z: 14 13.571 1.892 0.979 0.394 0.846 0.385 CB 1.328 14 residues pruned to eliminate duplicates Z: 25 11.487 1.867 0.454 0.432 0.750 0.625 CB 1.236 16 residues pruned to eliminate duplicates Z: 11 19.449 1.996 0.685 0.919 0.900 0.800 CB 1.432 11 residues pruned to eliminate duplicates Z: 53 29.775 1.920 0.562 0.597 0.942 0.558 CA 1.331 54 residues pruned to eliminate duplicates Z: 10 10.082 1.854 0.370 0.395 1.000 0.667 CA 1.479 10 residues pruned to eliminate duplicates Z: 15 14.871 1.778 0.536 0.745 0.929 0.571 CA 1.259 15 residues pruned to eliminate duplicates Z: 12 14.953 2.113 0.433 0.898 0.818 0.818 CA 1.302 12 residues pruned to eliminate duplicates Z: 6 9.886 1.808 0.881 0.793 1.000 0.800 CB 1.005 6 residues pruned to eliminate duplicates Z: 13 19.805 1.981 0.559 0.837 1.000 0.667 CB 1.385 13 residues pruned to eliminate duplicates Z: 25 24.452 2.019 0.732 0.538 0.958 0.542 CA 1.435 47 residues pruned to eliminate duplicates Z: 16 20.144 2.081 0.255 0.877 1.000 0.733 CA 1.446 16 residues pruned to eliminate duplicates Z: 13 11.591 1.576 0.711 0.910 1.000 0.833 CA 0.880 10 residues pruned to eliminate duplicates Z: 14 24.889 2.049 0.679 0.911 1.000 0.615 CA 1.422 14 residues pruned to eliminate duplicates Z: 13 10.071 1.667 0.508 0.715 0.917 0.667 CB 1.038 Z: 12 19.507 1.885 0.436 0.924 1.000 0.909 CA 1.526 12 residues pruned to eliminate duplicates Z: 6 8.238 1.842 0.322 0.623 1.000 0.800 CB 1.347 6 residues pruned to eliminate duplicates Z: 69 34.409 1.997 0.625 0.533 0.926 0.632 CB 1.344 69 residues pruned to eliminate duplicates Z: 16 20.162 1.966 0.603 0.917 0.933 0.600 CA 1.249 16 residues pruned to eliminate duplicates Z: 12 13.638 1.788 0.622 0.880 1.000 0.636 CA 1.027 12 residues pruned to eliminate duplicates Z: 85 32.348 1.942 0.447 0.509 0.905 0.560 CA 1.376 83 residues pruned to eliminate duplicates Z: 83 37.163 2.022 0.531 0.566 0.878 0.573 CA 1.417 83 residues pruned to eliminate duplicates Z: 12 7.092 1.981 0.118 0.393 0.818 0.545 CA 1.320 12 residues pruned to eliminate duplicates Z: 32 10.977 1.771 0.589 0.339 0.710 0.452 CA 1.176 32 residues pruned to eliminate duplicates Z: 13 16.887 1.871 0.581 0.877 1.000 0.583 CA 1.198 13 residues pruned to eliminate duplicates Z: 9 7.143 1.719 0.080 0.836 0.875 0.500 CA 1.164 9 residues pruned to eliminate duplicates Z: 121 47.627 1.984 0.631 0.554 0.900 0.558 CA 1.417 122 residues pruned to eliminate duplicates Z: 11 13.257 2.086 0.286 0.882 0.800 0.600 CA 1.413 11 residues pruned to eliminate duplicates Z: 6 5.805 1.651 0.172 0.827 1.000 0.800 CA 1.011 6 residues pruned to eliminate duplicates Z: 6 8.290 1.907 0.222 0.714 1.000 0.600 CA 1.310 6 residues pruned to eliminate duplicates Z: 26 18.964 1.888 0.595 0.611 0.840 0.560 CB 1.349 26 residues pruned to eliminate duplicates Z: 12 10.818 1.630 0.755 0.892 0.818 0.545 CB 1.001 12 residues pruned to eliminate duplicates Z: 7 2.331 1.722 0.187 0.400 0.667 0.500 CB 0.776 Z: 10 4.057 1.506 0.656 0.627 0.889 0.667 CB 0.541 Z: 23 14.180 1.787 0.574 0.478 0.909 0.727 CB 1.209 13 residues pruned to eliminate duplicates Z: 16 24.277 1.960 0.714 0.849 0.933 0.467 CA 1.482 16 residues pruned to eliminate duplicates Z: 15 22.632 2.095 0.574 0.906 0.929 0.500 CA 1.405 15 residues pruned to eliminate duplicates Z: 13 13.098 1.743 0.765 0.870 0.833 0.583 CA 1.076 13 residues pruned to eliminate duplicates Z: 47 19.642 1.827 0.353 0.540 0.913 0.587 CA 1.233 52 residues pruned to eliminate duplicates Z: 29 13.982 1.793 0.330 0.540 0.929 0.536 CB 1.147 29 residues pruned to eliminate duplicates Z: 12 12.501 1.729 0.553 0.836 0.909 0.818 CB 1.155 12 residues pruned to eliminate duplicates Z: 7 7.237 1.773 0.497 0.812 0.833 0.500 CA 1.018 7 residues pruned to eliminate duplicates Z: 6 5.276 1.748 0.246 0.698 0.800 0.800 CB 1.131 Z: 19 9.979 1.743 0.358 0.440 0.833 0.611 CA 1.268 19 residues pruned to eliminate duplicates Z: 7 6.914 1.743 0.470 0.816 1.000 0.833 CA 0.837 7 residues pruned to eliminate duplicates Z: 9 9.670 1.958 0.233 0.830 0.750 0.375 CA 1.420 9 residues pruned to eliminate duplicates Z: 10 6.421 1.660 0.788 0.443 0.889 0.556 CB 0.860 Z: 9 10.290 1.881 0.464 0.554 1.000 0.875 CA 1.254 Z: 14 5.732 1.771 0.188 0.315 0.769 0.385 CA 1.205 Z: 7 5.727 1.634 0.702 0.538 0.833 0.667 CB 0.972 7 residues pruned to eliminate duplicates Z: 8 5.128 1.747 0.308 0.490 0.714 0.429 CB 1.199 8 residues pruned to eliminate duplicates Z: 7 10.985 1.758 1.177 0.536 1.000 0.667 CA 1.131 7 residues pruned to eliminate duplicates Z: 9 12.762 1.943 0.275 0.723 1.000 0.875 CA 1.489 9 residues pruned to eliminate duplicates Z: 13 15.064 1.939 0.740 0.881 0.833 0.750 CA 1.120 13 residues pruned to eliminate duplicates Z: 9 4.246 1.794 0.335 0.247 0.750 0.625 CB 1.120 9 residues pruned to eliminate duplicates Z: 12 23.491 1.863 0.780 0.921 1.000 0.545 CA 1.503 12 residues pruned to eliminate duplicates Z: 11 18.185 1.999 0.718 0.857 1.000 0.800 CA 1.234 11 residues pruned to eliminate duplicates Z: 15 15.136 1.681 0.630 0.874 0.929 0.500 CA 1.157 15 residues pruned to eliminate duplicates Z: 14 20.245 2.024 0.548 0.934 1.000 0.923 CA 1.250 14 residues pruned to eliminate duplicates Z: 8 12.603 1.800 0.668 0.880 1.000 1.000 CB 1.150 8 residues pruned to eliminate duplicates Z: 67 38.805 2.046 0.530 0.602 0.955 0.636 CA 1.451 65 residues pruned to eliminate duplicates Z: 76 37.260 2.051 0.438 0.583 0.947 0.680 CA 1.424 76 residues pruned to eliminate duplicates Z: 9 13.121 1.893 0.570 0.890 1.000 0.875 CB 1.123 9 residues pruned to eliminate duplicates Z: 51 29.889 2.085 0.306 0.586 0.960 0.660 CB 1.489 51 residues pruned to eliminate duplicates Z: 36 23.952 1.976 0.647 0.412 0.943 0.543 CB 1.446 36 residues pruned to eliminate duplicates Z: 7 8.623 1.637 0.865 0.804 1.000 0.500 N 0.884 7 residues pruned to eliminate duplicates Z: 17 20.284 1.834 0.569 0.840 0.938 0.312 CA 1.403 17 residues pruned to eliminate duplicates 7 1.928 1.302 0.225 0.279 0.833 0.167 CB 0.760 ? Z: 7 2.270 1.565 0.020 0.245 0.667 0.333 N 1.169 Z: 12 15.731 1.871 0.314 0.902 1.000 0.909 CA 1.376 12 residues pruned to eliminate duplicates Z: 13 18.075 1.917 0.571 0.868 1.000 0.583 CA 1.267 13 residues pruned to eliminate duplicates Z: 34 20.466 1.926 0.572 0.468 0.879 0.394 CB 1.383 43 residues pruned to eliminate duplicates Z: 16 10.509 1.869 0.855 0.366 0.800 0.467 CA 1.130 16 residues pruned to eliminate duplicates Z: 7 4.731 1.724 0.541 0.582 1.000 0.500 CB 0.672 7 residues pruned to eliminate duplicates Z: 13 18.537 2.008 0.584 0.876 0.917 0.417 CB 1.334 13 residues pruned to eliminate duplicates Z: 8 8.487 1.748 0.470 0.790 1.000 0.571 CA 0.968 7 residues pruned to eliminate duplicates Z: 46 28.549 1.993 0.738 0.475 0.911 0.467 CB 1.383 46 residues pruned to eliminate duplicates Z: 61 35.718 2.067 0.424 0.636 0.950 0.650 CB 1.452 61 residues pruned to eliminate duplicates Z: 6 3.906 1.618 0.252 0.513 0.800 0.600 CB 1.065 Z: 17 18.215 1.924 0.370 0.896 1.000 0.625 CA 1.238 17 residues pruned to eliminate duplicates Z: 15 21.213 2.131 0.549 0.853 0.929 0.643 CA 1.367 15 residues pruned to eliminate duplicates 6 1.624 1.558 -0.274 0.227 0.800 0.600 CB 1.104 ? Z: 7 5.594 1.518 0.347 0.629 0.833 0.667 CA 1.187 Z: 9 9.700 1.714 0.417 0.738 1.000 0.625 CA 1.140 9 residues pruned to eliminate duplicates Z: 10 9.784 1.582 0.324 0.867 1.000 0.778 N 1.139 10 residues pruned to eliminate duplicates Z: 78 35.274 2.029 0.481 0.527 0.935 0.597 CB 1.394 78 residues pruned to eliminate duplicates Z: 18 21.808 2.026 0.557 0.712 0.882 0.765 CA 1.568 18 residues pruned to eliminate duplicates Z: 16 11.165 1.887 0.675 0.376 0.867 0.600 CA 1.200 16 residues pruned to eliminate duplicates Z: 39 13.290 1.791 0.447 0.457 0.789 0.526 CB 1.100 42 residues pruned to eliminate duplicates Z: 58 31.361 2.014 0.595 0.518 0.912 0.596 CB 1.392 58 residues pruned to eliminate duplicates Z: 23 16.214 1.886 0.521 0.544 0.955 0.545 CA 1.209 23 residues pruned to eliminate duplicates Z: 11 3.905 1.678 0.361 0.385 0.800 0.600 CB 0.764 11 residues pruned to eliminate duplicates Z: 10 10.832 1.700 0.539 0.852 0.889 0.778 CA 1.148 10 residues pruned to eliminate duplicates Z: 19 11.293 1.757 0.486 0.456 0.833 0.444 CB 1.280 20 residues pruned to eliminate duplicates Z: 12 18.505 1.825 0.853 0.889 1.000 1.000 CB 1.187 12 residues pruned to eliminate duplicates Z: 14 15.824 1.998 0.459 0.832 0.923 0.769 CA 1.225 14 residues pruned to eliminate duplicates Z: 16 16.731 1.858 0.697 0.829 0.867 0.533 CB 1.190 16 residues pruned to eliminate duplicates Z: 10 3.089 1.430 0.493 0.375 0.667 0.444 CB 0.826 10 residues pruned to eliminate duplicates Z: 35 27.058 2.059 0.603 0.546 0.941 0.588 CA 1.428 35 residues pruned to eliminate duplicates Z: 39 18.253 1.886 0.472 0.488 0.868 0.579 CB 1.243 39 residues pruned to eliminate duplicates Z: 7 5.702 1.482 0.664 0.681 0.833 0.833 CA 0.959 7 residues pruned to eliminate duplicates Z: 37 28.649 2.065 0.531 0.593 0.889 0.583 CB 1.556 37 residues pruned to eliminate duplicates Z: 13 17.239 1.804 0.885 0.917 0.917 0.750 CB 1.126 13 residues pruned to eliminate duplicates Z: 8 7.437 1.823 0.352 0.426 0.857 0.571 CA 1.437 8 residues pruned to eliminate duplicates Z: 14 5.089 1.477 0.634 0.699 0.692 0.462 CB 0.704 13 residues pruned to eliminate duplicates Z: 12 20.500 2.083 0.626 0.864 0.909 0.545 CB 1.472 12 residues pruned to eliminate duplicates Z: 12 7.151 1.559 0.818 0.429 0.727 0.636 CA 1.126 Z: 14 18.861 1.881 0.790 0.745 0.923 0.462 CA 1.352 14 residues pruned to eliminate duplicates Z: 17 17.108 1.797 0.611 0.588 1.000 0.812 CB 1.357 17 residues pruned to eliminate duplicates Z: 8 7.571 1.588 0.643 0.585 0.857 0.857 CA 1.179 8 residues pruned to eliminate duplicates Z: 13 20.904 1.993 0.639 0.808 1.000 0.583 CA 1.414 13 residues pruned to eliminate duplicates Z: 23 20.288 1.976 0.650 0.581 0.955 0.773 CA 1.285 23 residues pruned to eliminate duplicates Z: 14 28.641 2.154 0.647 0.929 1.000 0.769 CA 1.567 14 residues pruned to eliminate duplicates Z: 15 11.254 1.948 0.473 0.410 1.000 0.571 CB 1.153 16 residues pruned to eliminate duplicates Z: 24 15.573 1.827 0.416 0.472 0.913 0.565 CB 1.415 25 residues pruned to eliminate duplicates Z: 7 8.810 1.837 0.349 0.826 0.833 0.667 CB 1.313 7 residues pruned to eliminate duplicates Z: 14 13.822 1.882 0.359 0.916 1.000 0.846 CA 1.059 14 residues pruned to eliminate duplicates Z: 9 12.743 1.797 0.713 0.880 1.000 0.875 CB 1.060 9 residues pruned to eliminate duplicates Z: 15 13.337 1.894 0.217 0.913 1.000 0.929 CA 1.094 15 residues pruned to eliminate duplicates Z: 70 30.517 1.961 0.426 0.509 0.928 0.594 CB 1.403 70 residues pruned to eliminate duplicates Z: 19 20.945 1.818 0.697 0.852 0.889 0.444 CA 1.332 19 residues pruned to eliminate duplicates Z: 12 11.822 1.773 0.622 0.782 0.909 0.727 CA 1.063 12 residues pruned to eliminate duplicates Z: 6 2.385 1.719 0.555 0.402 0.800 0.400 CB 0.553 4 residues pruned to eliminate duplicates Z: 10 4.036 1.723 0.403 0.316 0.667 0.222 CB 1.023 10 residues pruned to eliminate duplicates Z: 38 13.564 1.603 0.650 0.440 0.865 0.568 CB 1.037 52 residues pruned to eliminate duplicates Z: 13 33.029 2.161 0.826 0.950 1.000 0.583 CA 1.667 13 residues pruned to eliminate duplicates Z: 12 6.369 1.519 0.569 0.429 0.727 0.545 CB 1.193 12 residues pruned to eliminate duplicates Z: 19 6.626 1.747 0.407 0.260 0.833 0.333 CB 1.003 19 residues pruned to eliminate duplicates Z: 13 15.792 1.657 0.901 0.797 1.000 0.667 CA 1.116 12 residues pruned to eliminate duplicates Z: 12 14.147 1.761 0.752 0.429 1.000 0.636 N 1.489 12 residues pruned to eliminate duplicates Z: 31 20.135 1.951 0.551 0.418 0.900 0.500 CB 1.471 31 residues pruned to eliminate duplicates Z: 6 7.172 1.525 0.596 0.532 1.000 0.600 N 1.278 Z: 6 3.605 1.345 0.621 0.491 0.800 0.600 CB 0.933 Z: 6 6.266 1.893 -0.075 0.772 1.000 0.800 CB 1.258 6 residues pruned to eliminate duplicates Z: 6 6.261 1.394 0.856 0.622 0.800 0.600 O 1.206 Z: 10 5.753 1.755 0.399 0.476 0.667 0.556 CA 1.200 Z: 7 5.680 1.723 -0.022 0.792 1.000 0.833 CB 1.065 7 residues pruned to eliminate duplicates Z: 11 5.088 1.648 0.150 0.619 0.900 0.400 CB 0.843 21 residues pruned to eliminate duplicates Z: 24 15.995 1.795 0.405 0.492 0.957 0.609 CA 1.394 24 residues pruned to eliminate duplicates Z: 12 18.466 1.892 0.438 0.907 1.000 0.818 CA 1.455 12 residues pruned to eliminate duplicates Z: 14 31.686 2.089 0.719 0.939 1.000 0.538 CB 1.701 14 residues pruned to eliminate duplicates Z: 11 11.245 2.071 0.358 0.883 1.000 0.800 CB 0.914 11 residues pruned to eliminate duplicates Z: 14 21.517 2.009 0.763 0.894 0.923 0.692 CA 1.309 14 residues pruned to eliminate duplicates Z: 8 11.556 1.884 0.414 0.857 1.000 0.571 CA 1.208 8 residues pruned to eliminate duplicates Z: 7 5.969 1.520 0.360 0.750 0.833 0.500 CA 1.132 7 residues pruned to eliminate duplicates Z: 7 7.328 1.819 0.148 0.747 1.000 1.000 CB 1.149 7 residues pruned to eliminate duplicates Z: 6 4.527 1.663 0.482 0.666 0.800 0.800 CB 0.881 7 residues pruned to eliminate duplicates Z: 13 15.686 1.884 0.504 0.846 1.000 0.667 CA 1.186 13 residues pruned to eliminate duplicates Z: 24 19.891 1.920 0.371 0.722 0.957 0.696 CA 1.348 24 residues pruned to eliminate duplicates Z: 28 19.926 1.800 0.602 0.614 0.963 0.519 CA 1.240 28 residues pruned to eliminate duplicates Z: 6 5.874 1.643 0.281 0.494 1.000 0.400 CB 1.255 Z: 26 12.847 1.859 0.364 0.546 0.920 0.640 CA 1.053 26 residues pruned to eliminate duplicates Z: 10 5.098 1.603 0.251 0.318 0.778 0.444 CB 1.331 10 residues pruned to eliminate duplicates Z: 8 4.106 1.514 0.518 0.227 0.714 0.571 O 1.300 8 residues pruned to eliminate duplicates Z: 21 12.761 1.876 0.498 0.459 0.800 0.400 CA 1.323 21 residues pruned to eliminate duplicates Z: 6 5.159 1.751 -0.018 0.850 1.000 0.600 CA 0.993 6 residues pruned to eliminate duplicates Z: 6 2.352 1.608 0.252 0.300 0.600 0.600 CB 1.090 Z: 11 5.654 1.764 0.327 0.556 0.700 0.600 CA 1.034 7 residues pruned to eliminate duplicates Z: 12 7.070 1.839 0.573 0.237 0.818 0.636 CA 1.222 12 residues pruned to eliminate duplicates Z: 12 13.642 1.800 0.536 0.802 1.000 0.727 CA 1.143 12 residues pruned to eliminate duplicates Z: 54 29.881 1.916 0.657 0.485 0.906 0.528 CA 1.450 54 residues pruned to eliminate duplicates Z: 39 23.583 1.957 0.488 0.491 0.947 0.553 CA 1.399 39 residues pruned to eliminate duplicates Z: 12 22.119 1.878 0.979 0.911 1.000 0.818 CA 1.272 12 residues pruned to eliminate duplicates Z: 11 17.574 1.939 0.731 0.895 1.000 0.800 CA 1.187 11 residues pruned to eliminate duplicates Z: 13 18.036 1.899 0.619 0.783 1.000 0.667 CA 1.320 13 residues pruned to eliminate duplicates Z: 15 26.823 2.039 0.532 0.914 1.000 0.500 CB 1.623 15 residues pruned to eliminate duplicates Z: 19 18.096 1.937 0.830 0.413 0.889 0.444 CB 1.482 19 residues pruned to eliminate duplicates Z: 9 7.013 1.625 0.338 0.819 0.875 0.625 CB 0.988 9 residues pruned to eliminate duplicates Z: 24 13.541 1.919 0.582 0.571 0.739 0.304 CB 1.176 24 residues pruned to eliminate duplicates Z: 11 13.949 1.845 0.576 0.829 1.000 0.800 CA 1.141 11 residues pruned to eliminate duplicates Z: 14 7.331 1.577 0.593 0.748 0.692 0.462 CA 0.937 14 residues pruned to eliminate duplicates Z: 11 6.557 1.605 0.554 0.499 0.700 0.700 N 1.188 17 residues pruned to eliminate duplicates Z: 9 6.810 1.684 0.590 0.451 0.750 0.625 CB 1.261 9 residues pruned to eliminate duplicates Z: 7 3.999 1.475 0.221 0.411 0.833 0.667 CB 1.194 Z: 15 26.915 1.960 1.054 0.910 0.857 0.286 CB 1.478 15 residues pruned to eliminate duplicates Z: 112 43.910 1.986 0.530 0.534 0.928 0.523 CB 1.429 112 residues pruned to eliminate duplicates Z: 23 9.760 1.753 0.400 0.271 0.864 0.591 CB 1.272 23 residues pruned to eliminate duplicates Z: 6 6.091 1.517 0.684 0.682 1.000 0.600 CB 0.902 Z: 23 18.880 1.886 0.863 0.499 0.909 0.636 CB 1.261 25 residues pruned to eliminate duplicates Z: 8 6.369 1.658 0.449 0.816 0.857 0.429 CA 0.888 7 residues pruned to eliminate duplicates Z: 37 23.703 2.085 0.530 0.496 0.917 0.500 CA 1.357 37 residues pruned to eliminate duplicates Z: 89 40.488 1.934 0.608 0.571 0.920 0.568 CB 1.408 88 residues pruned to eliminate duplicates Z: 11 4.699 1.679 0.258 0.405 0.700 0.300 CA 1.110 11 residues pruned to eliminate duplicates Z: 10 5.507 1.573 0.051 0.384 1.000 0.667 CB 1.256 10 residues pruned to eliminate duplicates Z: 11 15.180 1.780 0.731 0.804 1.000 0.700 CA 1.195 13 residues pruned to eliminate duplicates Z: 6 6.158 1.684 0.218 0.760 0.800 0.600 CA 1.333 6 residues pruned to eliminate duplicates Z: 6 10.523 1.970 0.742 0.836 1.000 0.800 CB 1.026 6 residues pruned to eliminate duplicates Z: 34 26.649 2.037 0.668 0.518 0.970 0.515 CA 1.382 34 residues pruned to eliminate duplicates Z: 26 19.846 1.960 0.751 0.499 0.880 0.720 CB 1.315 26 residues pruned to eliminate duplicates Z: 10 7.948 1.899 0.215 0.807 0.778 0.556 CB 1.129 10 residues pruned to eliminate duplicates Z: 10 11.959 1.827 0.718 0.868 0.889 0.889 CB 1.045 10 residues pruned to eliminate duplicates 6 0.986 1.294 -0.307 0.736 1.000 0.800 CB 0.398 ? Z: 9 4.768 1.404 0.331 0.467 0.875 0.500 O 1.066 Z: 10 5.880 1.469 0.206 0.766 0.889 0.556 N 0.984 10 residues pruned to eliminate duplicates Z: 9 6.753 1.671 0.348 0.714 0.750 0.500 CA 1.163 9 residues pruned to eliminate duplicates Z: 6 7.275 1.683 0.385 0.681 1.000 0.800 CB 1.181 6 residues pruned to eliminate duplicates Z: 26 15.014 1.734 0.531 0.434 0.880 0.560 CB 1.377 26 residues pruned to eliminate duplicates Z: 10 23.034 2.095 0.865 0.926 1.000 0.667 CB 1.378 10 residues pruned to eliminate duplicates Z: 9 3.059 1.468 0.364 0.311 0.875 0.625 CB 0.761 Z: 50 33.287 2.113 0.403 0.601 0.980 0.694 CA 1.487 50 residues pruned to eliminate duplicates Z: 31 16.648 1.864 0.540 0.555 0.800 0.500 CB 1.254 31 residues pruned to eliminate duplicates Z: 10 6.572 1.646 0.488 0.436 0.778 0.222 CA 1.229 Z: 36 25.103 2.018 0.567 0.578 0.886 0.657 CB 1.406 36 residues pruned to eliminate duplicates Z: 8 8.786 1.783 0.389 0.682 0.857 0.857 CA 1.324 7 residues pruned to eliminate duplicates Z: 12 5.122 1.572 0.365 0.395 0.727 0.182 CB 1.105 21 residues pruned to eliminate duplicates Z: 39 31.039 2.105 0.407 0.655 0.947 0.711 CB 1.554 39 residues pruned to eliminate duplicates Z: 18 17.012 1.865 0.429 0.866 0.941 0.412 CA 1.204 18 residues pruned to eliminate duplicates Z: 14 19.173 1.885 0.864 0.760 0.923 0.692 CA 1.302 Z: 18 11.999 1.631 0.474 0.628 0.824 0.588 N 1.303 18 residues pruned to eliminate duplicates Z: 11 17.550 1.857 0.886 0.814 0.900 0.400 CA 1.340 11 residues pruned to eliminate duplicates Z: 13 19.959 2.118 0.303 0.877 0.917 0.667 CA 1.654 13 residues pruned to eliminate duplicates Z: 18 13.517 1.809 0.394 0.686 0.882 0.412 CB 1.242 18 residues pruned to eliminate duplicates Z: 25 14.051 1.845 0.553 0.529 0.833 0.417 CA 1.168 25 residues pruned to eliminate duplicates Z: 13 23.281 1.826 0.801 0.900 1.000 0.333 CB 1.460 13 residues pruned to eliminate duplicates Z: 15 14.528 1.962 0.322 0.851 1.000 0.786 CA 1.108 15 residues pruned to eliminate duplicates Z: 8 12.180 1.855 0.786 0.897 1.000 1.000 CB 0.994 8 residues pruned to eliminate duplicates Z: 67 37.856 2.063 0.424 0.645 0.924 0.652 CA 1.498 67 residues pruned to eliminate duplicates Z: 14 12.090 1.743 0.706 0.487 0.846 0.538 CA 1.350 14 residues pruned to eliminate duplicates Z: 14 20.179 1.904 0.719 0.803 1.000 0.538 CA 1.312 14 residues pruned to eliminate duplicates Z: 14 17.767 1.896 0.712 0.906 0.923 0.923 CA 1.169 14 residues pruned to eliminate duplicates Z: 11 4.755 1.600 0.155 0.331 0.700 0.500 CB 1.400 11 residues pruned to eliminate duplicates Z: 7 4.042 1.454 0.460 0.673 0.667 0.667 CA 0.994 7 residues pruned to eliminate duplicates Z: 10 10.397 1.795 0.624 0.783 0.778 0.444 CB 1.192 10 residues pruned to eliminate duplicates Z: 10 3.819 1.447 0.643 0.359 0.556 0.333 CA 1.123 Z: 10 6.409 1.840 0.118 0.652 0.889 0.889 CB 1.015 8 residues pruned to eliminate duplicates Z: 12 13.633 1.763 0.558 0.858 1.000 0.818 CA 1.102 12 residues pruned to eliminate duplicates Z: 9 4.164 1.449 0.050 0.470 0.875 0.500 CA 1.140 Z: 7 6.986 1.646 0.693 0.670 0.667 0.333 N 1.312 Z: 14 21.760 2.043 0.487 0.918 1.000 0.615 CB 1.401 14 residues pruned to eliminate duplicates Z: 21 20.197 1.907 0.860 0.418 1.000 0.500 CB 1.387 22 residues pruned to eliminate duplicates Z: 6 3.590 1.393 0.371 0.624 1.000 0.400 CB 0.748 Z: 16 8.104 1.871 0.342 0.365 0.933 0.800 CB 1.033 9 residues pruned to eliminate duplicates Z: 24 20.724 2.038 0.372 0.670 0.957 0.739 CA 1.381 24 residues pruned to eliminate duplicates Z: 11 5.168 1.830 0.214 0.288 1.000 0.400 CA 0.934 11 residues pruned to eliminate duplicates Z: 13 19.778 2.029 0.501 0.850 1.000 0.917 CA 1.388 13 residues pruned to eliminate duplicates Z: 8 2.847 1.454 0.003 0.383 0.857 0.571 CB 0.974 Z: 10 12.663 1.779 0.714 0.884 1.000 1.000 CB 1.001 10 residues pruned to eliminate duplicates Z: 39 23.693 1.999 0.661 0.481 0.868 0.658 CB 1.359 39 residues pruned to eliminate duplicates Z: 14 8.325 1.692 0.547 0.265 0.846 0.538 CA 1.363 14 residues pruned to eliminate duplicates Z: 9 10.070 1.855 0.330 0.736 0.875 0.625 CA 1.335 9 residues pruned to eliminate duplicates Z: 8 4.071 1.442 0.617 0.375 0.857 0.571 CA 0.880 8 residues pruned to eliminate duplicates Z: 8 5.943 1.482 0.561 0.534 0.857 0.571 CB 1.095 Z: 7 6.732 1.859 0.427 0.639 0.833 0.667 CA 1.091 7 residues pruned to eliminate duplicates Z: 45 23.705 1.905 0.664 0.462 0.864 0.455 CA 1.356 45 residues pruned to eliminate duplicates Z: 6 3.805 1.395 0.359 0.570 0.800 0.600 CB 1.049 Z: 7 6.569 1.730 1.086 0.395 0.833 0.667 CB 0.997 7 residues pruned to eliminate duplicates Z: 15 4.199 1.783 0.272 0.333 0.786 0.214 CB 0.756 Z: 50 27.978 1.891 0.730 0.504 0.918 0.510 CA 1.325 50 residues pruned to eliminate duplicates Z: 21 19.253 1.835 0.683 0.707 0.950 0.650 CA 1.215 21 residues pruned to eliminate duplicates Z: 10 7.252 1.577 0.480 0.849 0.889 0.667 CA 0.864 10 residues pruned to eliminate duplicates Z: 6 2.420 1.183 0.112 0.743 1.000 0.600 CB 0.662 Z: 8 7.439 1.790 0.041 0.832 0.857 0.571 CA 1.322 8 residues pruned to eliminate duplicates Z: 16 20.579 2.138 0.586 0.824 1.000 0.867 CA 1.183 16 residues pruned to eliminate duplicates Z: 15 35.020 2.140 0.978 0.922 0.929 0.214 CA 1.675 15 residues pruned to eliminate duplicates Z: 6 2.946 1.697 0.045 0.678 1.000 0.600 CB 0.631 Z: 6 5.320 1.362 0.487 0.797 1.000 0.800 CB 0.906 6 residues pruned to eliminate duplicates Z: 13 21.956 1.963 0.930 0.868 0.917 0.750 CA 1.334 13 residues pruned to eliminate duplicates Z: 54 35.113 2.083 0.531 0.591 0.962 0.585 CA 1.441 54 residues pruned to eliminate duplicates Z: 11 3.817 1.409 0.439 0.325 0.900 0.600 CB 0.802 Z: 8 4.486 1.651 0.553 0.305 0.857 0.571 CB 0.958 8 residues pruned to eliminate duplicates Z: 20 8.703 1.713 0.253 0.350 0.895 0.421 CA 1.223 20 residues pruned to eliminate duplicates Z: 10 10.156 1.777 0.362 0.787 1.000 0.778 CA 1.087 10 residues pruned to eliminate duplicates Z: 14 13.581 1.792 0.718 0.801 0.769 0.462 CA 1.222 14 residues pruned to eliminate duplicates Z: 7 5.697 1.816 0.951 0.545 0.667 0.667 CB 0.942 7 residues pruned to eliminate duplicates Z: 11 5.490 1.602 0.385 0.540 0.900 0.800 CB 0.836 7 residues pruned to eliminate duplicates Z: 11 5.919 1.414 0.062 0.917 1.000 0.900 CB 0.879 11 residues pruned to eliminate duplicates Z: 8 2.709 1.553 0.813 0.398 0.714 0.571 N 0.567 8 residues pruned to eliminate duplicates Z: 14 12.966 1.857 0.526 0.535 1.000 0.692 CA 1.226 14 residues pruned to eliminate duplicates Z: 6 2.590 1.317 0.914 0.458 0.800 0.400 CB 0.599 Z: 36 29.440 2.135 0.650 0.524 0.943 0.600 CB 1.463 36 residues pruned to eliminate duplicates Z: 17 22.596 2.003 0.755 0.760 0.938 0.812 CB 1.361 17 residues pruned to eliminate duplicates Z: 35 21.792 1.958 0.635 0.552 0.912 0.588 CA 1.217 35 residues pruned to eliminate duplicates Z: 8 7.691 1.694 0.980 0.470 0.714 0.571 CB 1.251 Z: 18 20.000 1.872 0.808 0.630 0.941 0.706 CA 1.347 30 residues pruned to eliminate duplicates Z: 11 8.787 1.495 0.251 0.814 1.000 0.700 CB 1.131 11 residues pruned to eliminate duplicates Z: 13 10.441 1.658 0.429 0.841 1.000 0.750 CA 0.949 13 residues pruned to eliminate duplicates Z: 10 9.959 1.783 0.436 0.875 0.889 0.778 CA 1.061 10 residues pruned to eliminate duplicates Z: 9 6.674 1.732 0.424 0.753 0.875 0.625 CB 0.872 9 residues pruned to eliminate duplicates Z: 32 21.792 1.849 0.597 0.498 0.968 0.613 CB 1.373 42 residues pruned to eliminate duplicates Z: 6 6.844 1.958 0.150 0.793 1.000 0.800 CB 1.051 6 residues pruned to eliminate duplicates Z: 10 11.317 1.741 0.673 0.843 0.889 0.667 CB 1.085 10 residues pruned to eliminate duplicates Z: 17 6.541 1.729 0.306 0.293 0.812 0.250 CB 1.124 17 residues pruned to eliminate duplicates Z: 12 14.086 1.849 0.184 0.899 1.000 0.818 CA 1.386 12 residues pruned to eliminate duplicates Z: 8 7.164 1.775 0.020 0.821 1.000 0.571 CA 1.133 8 residues pruned to eliminate duplicates Z: 13 29.685 2.058 1.011 0.907 1.000 0.750 CA 1.472 13 residues pruned to eliminate duplicates Z: 96 36.315 1.978 0.459 0.527 0.916 0.653 CB 1.373 95 residues pruned to eliminate duplicates Z: 12 9.354 1.578 0.700 0.482 0.909 0.364 CB 1.177 10 residues pruned to eliminate duplicates Z: 9 7.396 1.766 0.246 0.592 0.875 0.375 CB 1.244 9 residues pruned to eliminate duplicates Z: 58 30.292 1.955 0.500 0.548 0.912 0.474 CB 1.431 58 residues pruned to eliminate duplicates Z: 14 13.039 1.727 0.860 0.436 0.923 0.538 CA 1.303 14 residues pruned to eliminate duplicates Z: 15 21.094 1.755 0.861 0.885 1.000 0.429 CB 1.246 15 residues pruned to eliminate duplicates Z: 9 14.729 1.935 0.713 0.586 1.000 0.625 CB 1.446 9 residues pruned to eliminate duplicates Z: 8 7.100 1.720 0.671 0.512 0.857 0.571 CB 1.077 13 residues pruned to eliminate duplicates Z: 7 4.780 1.669 0.049 0.445 1.000 0.667 CB 1.180 Z: 14 26.466 2.041 0.839 0.916 0.923 0.538 CB 1.496 14 residues pruned to eliminate duplicates Z: 6 2.005 1.605 -0.144 0.178 0.800 0.400 CB 1.203 6 residues pruned to eliminate duplicates Z: 7 11.702 1.951 0.736 0.726 0.833 0.500 CB 1.381 7 residues pruned to eliminate duplicates Z: 11 2.731 1.415 0.369 0.314 0.800 0.700 CB 0.685 Z: 12 13.437 1.945 0.349 0.863 0.909 0.727 CB 1.245 12 residues pruned to eliminate duplicates Z: 9 12.037 1.975 0.599 0.887 0.875 0.625 CB 1.110 9 residues pruned to eliminate duplicates 6 1.489 1.325 0.394 0.291 0.600 0.200 C 0.759 ? Z: 9 3.899 1.593 0.333 0.364 0.750 0.500 CB 1.001 9 residues pruned to eliminate duplicates Z: 9 5.956 1.753 0.177 0.509 0.875 0.500 CA 1.156 9 residues pruned to eliminate duplicates Z: 10 4.791 1.676 0.158 0.483 0.778 0.667 CB 1.076 10 residues pruned to eliminate duplicates Z: 9 3.484 1.890 0.157 0.467 0.625 0.500 CB 0.932 9 residues pruned to eliminate duplicates Z: 6 2.991 1.342 0.193 0.768 0.600 0.400 CA 1.098 Z: 14 11.096 1.786 0.255 0.867 0.923 0.692 CA 1.087 14 residues pruned to eliminate duplicates Z: 21 14.843 1.682 0.795 0.537 0.900 0.800 CA 1.178 25 residues pruned to eliminate duplicates 6 1.020 1.292 -0.071 0.295 0.800 0.600 CB 0.598 ? Z: 31 19.880 1.857 0.609 0.587 0.833 0.700 CA 1.340 31 residues pruned to eliminate duplicates Z: 8 12.535 1.922 0.661 0.845 0.857 0.429 CA 1.287 8 residues pruned to eliminate duplicates Z: 11 7.765 1.683 0.584 0.560 0.900 0.400 CA 0.965 11 residues pruned to eliminate duplicates Z: 10 10.184 1.814 0.484 0.632 0.889 0.889 CA 1.253 10 residues pruned to eliminate duplicates Z: 8 10.918 1.721 0.421 0.900 1.000 0.571 CA 1.205 8 residues pruned to eliminate duplicates Z: 10 5.139 1.459 0.482 0.531 0.778 0.444 CB 0.987 14 residues pruned to eliminate duplicates Z: 7 9.424 1.962 0.220 0.622 1.000 0.500 CB 1.432 7 residues pruned to eliminate duplicates Z: 11 5.892 1.580 0.460 0.410 0.800 0.400 CB 1.110 Z: 8 4.430 1.509 0.275 0.391 0.857 0.429 O 1.140 Z: 6 2.341 1.212 0.804 0.295 0.800 0.400 C 0.753 Z: 9 4.853 1.413 0.850 0.202 0.750 0.500 CB 1.247 Z: 6 11.040 2.094 0.705 0.709 1.000 0.800 CA 1.144 6 residues pruned to eliminate duplicates Z: 12 18.069 2.084 0.846 0.894 0.909 0.455 CB 1.118 12 residues pruned to eliminate duplicates Z: 7 5.396 1.685 0.543 0.710 0.833 0.833 CB 0.841 Z: 6 3.184 1.610 -0.321 0.607 1.000 0.600 CB 1.177 Z: 11 18.453 1.913 0.752 0.926 1.000 1.000 CB 1.221 11 residues pruned to eliminate duplicates Z: 10 6.610 1.497 0.636 0.392 0.889 0.444 CA 1.135 10 residues pruned to eliminate duplicates Z: 6 3.476 1.378 0.615 0.433 0.800 0.400 N 0.935 Z: 9 2.718 1.351 0.049 0.436 0.625 0.375 C 1.159 Z: 13 14.827 1.687 0.650 0.777 1.000 0.833 CA 1.204 13 residues pruned to eliminate duplicates Z: 20 26.112 2.154 0.815 0.679 0.947 0.789 CB 1.372 20 residues pruned to eliminate duplicates Z: 11 19.870 1.921 0.665 0.929 1.000 0.500 CA 1.374 11 residues pruned to eliminate duplicates Z: 7 3.143 1.324 0.192 0.379 1.000 0.167 N 0.925 Z: 9 10.079 1.845 0.631 0.893 1.000 0.375 CB 0.850 9 residues pruned to eliminate duplicates Z: 15 6.544 1.791 0.187 0.439 0.857 0.571 CA 1.022 15 residues pruned to eliminate duplicates Z: 7 4.862 1.566 0.237 0.636 1.000 0.667 CB 0.902 7 residues pruned to eliminate duplicates Z: 7 2.403 1.449 -0.007 0.427 0.833 0.500 CB 0.882 Z: 28 25.423 2.007 0.551 0.688 0.926 0.704 CB 1.429 28 residues pruned to eliminate duplicates Z: 42 24.967 1.893 0.601 0.486 0.976 0.634 CA 1.337 42 residues pruned to eliminate duplicates Z: 10 7.901 1.855 0.333 0.395 1.000 0.778 CB 1.191 10 residues pruned to eliminate duplicates Z: 10 8.389 1.651 0.240 0.619 1.000 0.778 CB 1.221 10 residues pruned to eliminate duplicates Z: 20 24.230 1.850 0.723 0.762 0.947 0.632 CB 1.460 20 residues pruned to eliminate duplicates Z: 6 2.783 1.449 0.661 0.100 0.800 0.400 N 1.078 Z: 12 9.472 1.669 0.454 0.860 0.909 0.727 CB 0.952 12 residues pruned to eliminate duplicates Z: 9 4.327 1.588 0.344 0.269 0.875 0.500 CB 1.066 9 residues pruned to eliminate duplicates Z: 8 7.125 1.776 0.348 0.504 1.000 0.429 CA 1.120 8 residues pruned to eliminate duplicates Z: 24 14.386 1.849 0.654 0.373 0.913 0.478 CA 1.231 24 residues pruned to eliminate duplicates Z: 9 3.110 1.567 0.352 0.187 0.625 0.625 CB 1.209 Z: 9 3.195 1.554 0.218 0.426 0.750 0.500 CB 0.860 9 residues pruned to eliminate duplicates Z: 13 20.145 2.059 0.782 0.885 0.917 0.250 CB 1.249 13 residues pruned to eliminate duplicates Z: 24 9.862 1.776 0.358 0.528 0.739 0.435 CB 1.122 24 residues pruned to eliminate duplicates 7 1.775 1.586 -0.029 0.106 0.833 0.333 CB 0.932 ? Z: 7 12.580 1.771 0.542 0.835 1.000 0.833 O 1.409 7 residues pruned to eliminate duplicates Z: 13 17.087 1.935 0.650 0.905 0.833 0.583 CA 1.319 13 residues pruned to eliminate duplicates Z: 8 5.316 1.765 0.280 0.403 0.714 0.429 CB 1.379 8 residues pruned to eliminate duplicates Z: 7 11.863 1.827 0.629 0.768 1.000 0.667 CA 1.284 7 residues pruned to eliminate duplicates Z: 20 13.535 1.929 0.432 0.628 0.895 0.737 CA 1.113 20 residues pruned to eliminate duplicates Z: 24 9.373 1.835 0.371 0.390 0.783 0.609 CA 1.115 24 residues pruned to eliminate duplicates Z: 31 14.618 1.682 0.540 0.412 0.900 0.667 CB 1.255 31 residues pruned to eliminate duplicates Z: 14 15.183 1.935 0.603 0.835 0.923 0.538 CA 1.101 14 residues pruned to eliminate duplicates Z: 15 9.388 1.820 0.365 0.290 0.857 0.571 CB 1.491 15 residues pruned to eliminate duplicates Z: 22 12.913 1.701 0.605 0.518 0.810 0.429 CA 1.253 22 residues pruned to eliminate duplicates Z: 24 15.179 1.940 0.453 0.468 0.957 0.478 CB 1.213 24 residues pruned to eliminate duplicates Z: 19 7.294 1.688 0.519 0.293 0.778 0.444 CB 1.086 19 residues pruned to eliminate duplicates Z: 7 13.733 1.944 0.691 0.833 1.000 0.500 CB 1.279 7 residues pruned to eliminate duplicates Z: 25 17.763 1.862 0.494 0.582 0.917 0.708 CA 1.314 24 residues pruned to eliminate duplicates Z: 44 33.335 2.080 0.455 0.601 0.977 0.651 CB 1.562 44 residues pruned to eliminate duplicates Z: 9 8.713 1.675 0.619 0.634 0.875 0.750 CB 1.145 Z: 9 9.806 1.682 0.487 0.794 1.000 0.875 CA 1.071 9 residues pruned to eliminate duplicates Z: 16 25.890 1.930 0.823 0.887 1.000 0.467 CA 1.370 16 residues pruned to eliminate duplicates Z: 16 23.920 1.863 0.894 0.879 1.000 0.467 CA 1.268 16 residues pruned to eliminate duplicates Z: 8 20.744 2.100 0.908 0.774 1.000 0.571 CA 1.535 8 residues pruned to eliminate duplicates Z: 82 33.505 1.974 0.444 0.550 0.914 0.654 CB 1.360 146 residues pruned to eliminate duplicates 6 1.946 1.236 0.472 0.317 0.600 0.600 CB 0.976 ? Z: 6 2.122 1.305 0.206 0.453 0.800 0.600 CB 0.791 Z: 6 2.364 1.538 0.404 0.293 0.800 0.600 CA 0.771 Z: 14 14.998 2.022 0.546 0.803 0.846 0.615 CA 1.207 14 residues pruned to eliminate duplicates Z: 7 4.933 1.393 0.667 0.604 1.000 0.667 CA 0.785 7 residues pruned to eliminate duplicates Z: 29 17.681 1.819 0.454 0.554 0.893 0.679 CA 1.343 30 residues pruned to eliminate duplicates Z: 7 2.769 1.829 -0.281 0.398 0.833 0.500 CB 1.150 5 residues pruned to eliminate duplicates Z: 41 12.872 1.742 0.513 0.335 0.800 0.325 CA 1.156 41 residues pruned to eliminate duplicates Z: 62 42.159 2.091 0.593 0.623 0.984 0.689 CB 1.467 62 residues pruned to eliminate duplicates 6 1.338 1.589 0.499 0.100 0.400 0.200 CB 1.047 ? Z: 6 4.458 1.341 0.181 0.723 1.000 1.000 CB 1.029 Z: 9 7.580 1.799 0.255 0.820 1.000 0.875 CB 0.899 9 residues pruned to eliminate duplicates Z: 14 9.677 1.766 0.382 0.261 1.000 0.462 CA 1.446 14 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 6 5.780 1.620 0.793 0.492 1.000 1.000 CA 0.897 Z: 7 4.799 1.629 0.892 0.423 0.833 0.500 CA 0.827 6 residues pruned to eliminate duplicates Z: 8 8.016 1.792 0.711 0.644 0.857 0.857 CA 1.007 8 residues pruned to eliminate duplicates Z: 9 9.820 1.839 0.728 0.636 0.875 0.750 CB 1.099 8 residues pruned to eliminate duplicates Z: 7 10.124 1.892 0.580 0.635 0.833 0.500 CA 1.461 7 residues pruned to eliminate duplicates Z: 7 14.515 1.935 1.066 0.789 1.000 0.667 CA 1.150 8 residues pruned to eliminate duplicates Z: 10 3.278 1.705 0.425 0.122 0.667 0.444 CA 1.083 Z: 7 4.379 1.554 0.638 0.435 0.833 0.333 CB 0.901 7 residues pruned to eliminate duplicates Z: 7 9.191 1.951 0.654 0.549 0.833 0.667 CB 1.330 24 residues pruned to eliminate duplicates Z: 7 2.762 1.438 1.141 0.446 0.667 0.500 CA 0.581 Z: 6 2.689 1.575 0.086 0.260 0.800 0.800 CA 1.155 6 residues pruned to eliminate duplicates Z: 15 10.775 1.736 0.816 0.504 0.714 0.571 CA 1.274 15 residues pruned to eliminate duplicates Z: 21 8.613 1.582 0.658 0.332 0.700 0.500 CA 1.261 21 residues pruned to eliminate duplicates Z: 10 8.977 1.813 0.782 0.319 0.778 0.556 CB 1.454 10 residues pruned to eliminate duplicates Z: 14 12.990 1.715 0.850 0.397 0.923 0.615 CB 1.372 14 residues pruned to eliminate duplicates Z: 6 5.783 1.774 1.250 0.482 0.600 0.600 CA 1.100 6 residues pruned to eliminate duplicates Z: 20 10.326 1.651 0.670 0.390 0.947 0.526 CB 1.020 20 residues pruned to eliminate duplicates Z: 14 9.716 1.684 0.590 0.367 0.846 0.462 CB 1.373 14 residues pruned to eliminate duplicates Z: 13 10.858 1.753 0.861 0.356 0.750 0.500 CB 1.496 13 residues pruned to eliminate duplicates Z: 15 8.823 1.721 0.664 0.252 0.786 0.429 CB 1.393 15 residues pruned to eliminate duplicates Z: 13 8.297 1.760 0.612 0.310 0.750 0.500 CA 1.390 13 residues pruned to eliminate duplicates Z: 8 6.060 1.593 0.666 0.403 0.857 0.714 N 1.114 8 residues pruned to eliminate duplicates Z: 6 2.299 1.618 -0.028 0.460 0.600 0.400 N 1.135 6 residues pruned to eliminate duplicates Z: 6 3.861 1.497 0.312 0.482 0.800 0.600 CA 1.119 5 residues pruned to eliminate duplicates Z: 6 5.567 1.579 0.439 0.469 1.000 0.200 N 1.130 6 residues pruned to eliminate duplicates Z: 74 29.252 1.928 0.514 0.494 0.945 0.603 CA 1.249 10 residues pruned to eliminate duplicates Z: 8 10.339 1.836 0.599 0.716 1.000 0.714 CA 1.095 9 residues pruned to eliminate duplicates Z: 9 10.819 1.682 0.842 0.748 1.000 0.875 CB 0.990 8 residues pruned to eliminate duplicates Z: 9 9.284 1.640 0.957 0.774 0.875 0.625 CB 0.917 9 residues pruned to eliminate duplicates Z: 9 7.519 1.723 0.649 0.590 0.875 0.625 CB 0.981 9 residues pruned to eliminate duplicates Z: 9 6.613 1.719 0.500 0.563 0.875 0.500 CB 0.975 9 residues pruned to eliminate duplicates Z: 8 9.605 1.892 0.716 0.684 0.857 0.571 CB 1.102 10 residues pruned to eliminate duplicates Z: 8 10.910 1.830 0.691 0.842 1.000 0.714 CA 0.993 8 residues pruned to eliminate duplicates Z: 22 11.845 1.790 0.453 0.416 0.857 0.571 CB 1.266 22 residues pruned to eliminate duplicates Z: 8 8.066 1.876 0.114 0.715 1.000 0.714 CA 1.201 8 residues pruned to eliminate duplicates Z: 8 7.641 1.876 -0.009 0.724 1.000 0.857 CA 1.269 7 residues pruned to eliminate duplicates Z: 8 12.465 1.884 0.339 0.824 1.000 0.714 CA 1.410 8 residues pruned to eliminate duplicates Z: 8 8.594 1.880 0.273 0.678 1.000 0.714 CA 1.153 8 residues pruned to eliminate duplicates Z: 9 10.928 1.867 0.289 0.716 1.000 0.750 CA 1.320 9 residues pruned to eliminate duplicates Z: 19 12.029 1.632 0.467 0.495 0.944 0.611 N 1.261 19 residues pruned to eliminate duplicates Z: 17 25.918 2.074 0.882 0.782 0.938 0.438 CA 1.382 15 residues pruned to eliminate duplicates Z: 14 28.394 2.178 0.692 0.881 1.000 0.769 CA 1.548 14 residues pruned to eliminate duplicates Z: 45 37.684 2.109 0.769 0.670 0.909 0.545 CA 1.431 45 residues pruned to eliminate duplicates Z: 14 21.637 2.123 0.356 0.893 1.000 0.692 CA 1.496 14 residues pruned to eliminate duplicates Z: 48 38.840 2.120 0.706 0.647 0.936 0.468 CA 1.459 56 residues pruned to eliminate duplicates Z: 16 24.551 2.052 0.546 0.917 1.000 0.733 CA 1.410 18 residues pruned to eliminate duplicates Z: 15 30.906 2.137 0.701 0.886 1.000 0.571 CA 1.639 15 residues pruned to eliminate duplicates Z: 18 26.565 2.073 0.855 0.748 0.941 0.588 CA 1.427 18 residues pruned to eliminate duplicates Z: 21 24.068 2.080 0.683 0.715 0.900 0.550 CA 1.406 21 residues pruned to eliminate duplicates Z: 48 34.873 2.052 0.739 0.597 0.915 0.532 CB 1.420 48 residues pruned to eliminate duplicates Z: 20 23.638 2.005 0.655 0.703 0.947 0.316 CA 1.434 20 residues pruned to eliminate duplicates Z: 17 29.414 2.015 0.836 0.835 1.000 0.438 CA 1.488 17 residues pruned to eliminate duplicates Z: 16 28.289 2.154 0.889 0.816 0.933 0.467 CA 1.462 16 residues pruned to eliminate duplicates Z: 17 30.638 2.092 0.919 0.740 1.000 0.500 CA 1.539 17 residues pruned to eliminate duplicates Z: 48 34.038 2.072 0.627 0.624 0.915 0.511 CA 1.433 48 residues pruned to eliminate duplicates Z: 49 33.025 2.061 0.729 0.582 0.896 0.521 CA 1.379 49 residues pruned to eliminate duplicates Z: 42 33.987 2.095 0.871 0.626 0.829 0.390 CA 1.451 42 residues pruned to eliminate duplicates Z: 35 26.376 2.060 0.713 0.585 0.882 0.500 CB 1.340 43 residues pruned to eliminate duplicates Z: 7 11.555 1.814 0.600 0.598 1.000 0.333 CB 1.480 7 residues pruned to eliminate duplicates Z: 45 34.959 2.101 0.749 0.615 0.886 0.500 CA 1.451 44 residues pruned to eliminate duplicates Z: 6 12.137 1.830 0.791 0.779 1.000 0.600 CB 1.295 6 residues pruned to eliminate duplicates Z: 47 33.949 2.089 0.771 0.599 0.848 0.391 CA 1.452 47 residues pruned to eliminate duplicates Z: 21 17.842 2.023 0.724 0.428 0.800 0.600 CA 1.541 21 residues pruned to eliminate duplicates Z: 52 30.508 2.042 0.591 0.531 0.882 0.529 CA 1.446 52 residues pruned to eliminate duplicates Z: 20 17.697 2.024 0.767 0.414 0.842 0.474 CB 1.476 20 residues pruned to eliminate duplicates Z: 49 32.890 2.068 0.695 0.589 0.854 0.500 CA 1.456 49 residues pruned to eliminate duplicates Z: 31 23.339 2.034 0.788 0.506 0.867 0.467 CA 1.343 31 residues pruned to eliminate duplicates Z: 42 34.108 2.116 0.782 0.622 0.854 0.415 CB 1.475 42 residues pruned to eliminate duplicates Z: 30 25.760 2.109 0.535 0.613 0.897 0.586 CA 1.481 30 residues pruned to eliminate duplicates Z: 50 32.911 2.052 0.801 0.586 0.837 0.327 CA 1.400 50 residues pruned to eliminate duplicates Z: 37 23.144 1.956 0.779 0.493 0.889 0.417 CB 1.255 37 residues pruned to eliminate duplicates Z: 49 33.702 2.061 0.735 0.575 0.875 0.396 CA 1.445 49 residues pruned to eliminate duplicates Z: 23 15.872 2.009 0.614 0.487 0.864 0.545 CB 1.225 23 residues pruned to eliminate duplicates Z: 43 28.088 2.085 0.611 0.547 0.881 0.500 CA 1.399 43 residues pruned to eliminate duplicates Z: 30 17.648 1.958 0.535 0.461 0.931 0.517 CA 1.219 30 residues pruned to eliminate duplicates Z: 47 37.712 2.123 0.702 0.615 0.957 0.543 CA 1.443 47 residues pruned to eliminate duplicates Z: 47 27.567 2.050 0.702 0.539 0.826 0.413 CA 1.357 46 residues pruned to eliminate duplicates Z: 10 23.200 2.046 1.124 0.851 1.000 0.556 CB 1.317 10 residues pruned to eliminate duplicates Z: 45 32.984 2.092 0.665 0.596 0.932 0.477 CA 1.398 45 residues pruned to eliminate duplicates Z: 24 17.055 2.013 0.667 0.541 0.870 0.435 CB 1.170 24 residues pruned to eliminate duplicates Z: 32 26.249 2.058 0.846 0.514 0.871 0.484 CB 1.405 32 residues pruned to eliminate duplicates Z: 8 9.040 2.059 0.341 0.574 0.857 0.857 CA 1.345 8 residues pruned to eliminate duplicates Z: 13 6.539 1.661 0.420 0.459 0.917 0.667 CA 0.910 13 residues pruned to eliminate duplicates Z: 47 26.291 1.994 0.611 0.447 0.913 0.522 CB 1.396 35 residues pruned to eliminate duplicates Z: 6 8.280 1.817 0.444 0.665 0.800 0.400 CA 1.515 6 residues pruned to eliminate duplicates Z: 36 24.528 2.025 0.530 0.416 0.943 0.543 CB 1.550 36 residues pruned to eliminate duplicates Z: 17 15.834 1.849 0.532 0.687 0.875 0.500 CA 1.345 17 residues pruned to eliminate duplicates Z: 37 24.232 1.992 0.510 0.435 0.944 0.667 CB 1.519 37 residues pruned to eliminate duplicates Z: 14 19.207 1.958 0.667 0.728 1.000 0.385 CA 1.330 14 residues pruned to eliminate duplicates Z: 36 24.074 2.005 0.611 0.432 0.886 0.657 CB 1.527 36 residues pruned to eliminate duplicates Z: 35 22.600 1.971 0.547 0.459 0.912 0.618 CB 1.453 35 residues pruned to eliminate duplicates Z: 35 18.130 1.973 0.519 0.389 0.882 0.529 CA 1.322 35 residues pruned to eliminate duplicates Z: 35 21.389 2.000 0.471 0.435 0.941 0.559 CA 1.417 35 residues pruned to eliminate duplicates Z: 40 23.175 1.959 0.535 0.397 0.923 0.615 CB 1.490 40 residues pruned to eliminate duplicates Z: 37 24.337 2.004 0.530 0.457 0.917 0.722 CB 1.508 37 residues pruned to eliminate duplicates Z: 34 24.269 2.060 0.539 0.441 0.939 0.636 CA 1.507 34 residues pruned to eliminate duplicates Z: 36 23.083 2.006 0.529 0.411 0.943 0.629 CA 1.482 36 residues pruned to eliminate duplicates Z: 35 24.349 2.030 0.554 0.448 0.912 0.618 CB 1.532 35 residues pruned to eliminate duplicates Z: 39 24.466 2.011 0.514 0.424 0.947 0.579 CA 1.490 39 residues pruned to eliminate duplicates Z: 35 23.234 2.016 0.544 0.409 0.912 0.500 CB 1.544 35 residues pruned to eliminate duplicates Z: 41 21.758 1.980 0.388 0.407 0.950 0.575 CA 1.452 41 residues pruned to eliminate duplicates Z: 36 20.441 2.014 0.458 0.420 0.857 0.514 CB 1.492 36 residues pruned to eliminate duplicates Z: 34 22.415 2.033 0.526 0.438 0.909 0.515 CB 1.475 34 residues pruned to eliminate duplicates Z: 37 23.447 1.998 0.594 0.409 0.917 0.556 CA 1.473 37 residues pruned to eliminate duplicates Z: 36 21.845 2.015 0.505 0.382 0.914 0.600 CB 1.510 36 residues pruned to eliminate duplicates Z: 33 20.176 2.011 0.504 0.407 0.875 0.469 CA 1.486 33 residues pruned to eliminate duplicates Z: 36 20.661 2.006 0.423 0.385 0.943 0.571 CA 1.467 36 residues pruned to eliminate duplicates Z: 36 22.716 2.024 0.525 0.392 0.886 0.543 CB 1.574 36 residues pruned to eliminate duplicates Z: 8 5.066 1.816 0.261 0.388 0.857 0.429 CA 1.098 8 residues pruned to eliminate duplicates Z: 34 17.108 1.959 0.563 0.285 0.848 0.545 CB 1.460 34 residues pruned to eliminate duplicates Z: 31 23.208 2.042 0.561 0.432 0.900 0.533 CA 1.584 31 residues pruned to eliminate duplicates Z: 10 10.323 1.976 0.599 0.333 1.000 0.667 CB 1.307 10 residues pruned to eliminate duplicates Z: 10 9.976 1.973 0.457 0.310 1.000 0.556 CB 1.428 10 residues pruned to eliminate duplicates Z: 11 9.052 1.897 0.462 0.343 1.000 0.400 CB 1.225 11 residues pruned to eliminate duplicates Z: 11 9.720 1.909 0.508 0.357 1.000 0.600 CB 1.246 11 residues pruned to eliminate duplicates Z: 11 7.344 1.770 0.432 0.365 0.900 0.500 CB 1.177 11 residues pruned to eliminate duplicates Z: 37 17.111 1.875 0.486 0.522 0.806 0.556 CB 1.243 37 residues pruned to eliminate duplicates Z: 12 7.966 1.846 0.683 0.322 0.909 0.545 CB 1.034 12 residues pruned to eliminate duplicates Z: 27 15.532 1.923 0.398 0.574 0.885 0.385 CA 1.193 27 residues pruned to eliminate duplicates Z: 67 30.460 1.957 0.556 0.542 0.939 0.591 CA 1.257 67 residues pruned to eliminate duplicates Z: 19 12.497 1.910 0.171 0.745 0.944 0.778 CA 1.119 19 residues pruned to eliminate duplicates Z: 39 21.562 1.979 0.495 0.506 0.947 0.605 CA 1.241 39 residues pruned to eliminate duplicates Z: 52 24.083 1.990 0.400 0.516 0.961 0.569 CA 1.240 52 residues pruned to eliminate duplicates Z: 49 21.206 1.931 0.417 0.441 0.938 0.542 CA 1.268 49 residues pruned to eliminate duplicates Z: 55 23.203 1.941 0.415 0.460 0.926 0.556 CB 1.293 55 residues pruned to eliminate duplicates Z: 55 22.329 1.935 0.392 0.450 0.944 0.611 CB 1.257 55 residues pruned to eliminate duplicates Z: 27 19.707 1.993 0.422 0.593 1.000 0.654 CA 1.248 27 residues pruned to eliminate duplicates Z: 12 12.549 1.940 0.674 0.639 0.818 0.545 CA 1.250 12 residues pruned to eliminate duplicates Z: 25 17.156 1.886 0.424 0.620 0.958 0.583 CA 1.215 25 residues pruned to eliminate duplicates Z: 26 18.790 1.943 0.380 0.600 0.960 0.560 CA 1.328 26 residues pruned to eliminate duplicates Z: 55 36.885 2.076 0.653 0.590 0.981 0.667 CA 1.367 55 residues pruned to eliminate duplicates Z: 13 19.807 1.979 0.663 0.902 1.000 0.750 CA 1.239 13 residues pruned to eliminate duplicates Z: 28 18.578 1.938 0.518 0.552 0.963 0.519 CA 1.200 28 residues pruned to eliminate duplicates Z: 53 27.539 2.022 0.545 0.529 0.923 0.635 CA 1.287 53 residues pruned to eliminate duplicates Z: 37 20.420 1.882 0.560 0.525 0.917 0.556 CA 1.233 37 residues pruned to eliminate duplicates Z: 54 35.425 2.086 0.629 0.616 0.962 0.717 CA 1.334 54 residues pruned to eliminate duplicates Z: 24 22.501 2.015 0.503 0.646 1.000 0.609 CA 1.352 24 residues pruned to eliminate duplicates Z: 65 31.306 2.003 0.505 0.528 0.922 0.516 CA 1.369 65 residues pruned to eliminate duplicates Z: 35 21.316 1.985 0.400 0.544 0.971 0.441 CA 1.299 35 residues pruned to eliminate duplicates Z: 49 24.541 2.001 0.452 0.556 0.938 0.562 CA 1.232 49 residues pruned to eliminate duplicates Z: 54 31.553 2.067 0.523 0.590 0.962 0.585 CA 1.313 54 residues pruned to eliminate duplicates Z: 55 32.949 2.055 0.538 0.596 0.944 0.611 CA 1.370 55 residues pruned to eliminate duplicates Z: 18 12.292 2.045 0.472 0.303 1.000 0.412 CA 1.233 18 residues pruned to eliminate duplicates Z: 36 29.716 2.134 0.591 0.561 0.943 0.543 CA 1.479 36 residues pruned to eliminate duplicates Z: 16 27.965 2.187 0.744 0.744 1.000 0.667 CA 1.521 16 residues pruned to eliminate duplicates Z: 42 27.529 2.098 0.525 0.480 0.927 0.463 CA 1.479 42 residues pruned to eliminate duplicates Z: 66 32.006 2.018 0.576 0.517 0.892 0.523 CA 1.375 66 residues pruned to eliminate duplicates Z: 37 30.232 2.118 0.613 0.555 0.972 0.528 CA 1.438 37 residues pruned to eliminate duplicates Z: 55 31.762 2.045 0.538 0.569 0.944 0.611 CA 1.361 55 residues pruned to eliminate duplicates Z: 37 30.940 2.129 0.712 0.551 0.944 0.528 CA 1.425 37 residues pruned to eliminate duplicates Z: 36 35.038 2.136 0.786 0.593 0.971 0.400 CB 1.462 36 residues pruned to eliminate duplicates Z: 11 29.982 2.251 1.252 0.834 0.800 0.300 CA 1.753 11 residues pruned to eliminate duplicates Z: 24 32.362 2.075 0.881 0.659 0.957 0.391 CB 1.560 24 residues pruned to eliminate duplicates Z: 22 33.649 2.139 0.839 0.685 1.000 0.429 CB 1.575 23 residues pruned to eliminate duplicates Z: 14 35.493 2.241 1.108 0.879 0.923 0.615 CB 1.637 14 residues pruned to eliminate duplicates Z: 21 29.558 2.147 0.894 0.678 0.900 0.300 CA 1.534 21 residues pruned to eliminate duplicates Z: 58 34.747 2.008 0.746 0.564 0.912 0.579 CB 1.353 58 residues pruned to eliminate duplicates Z: 20 35.053 2.186 0.920 0.705 1.000 0.526 CB 1.590 20 residues pruned to eliminate duplicates Z: 8 9.038 1.817 0.536 0.772 0.857 0.286 CA 1.123 8 residues pruned to eliminate duplicates Z: 9 13.466 1.820 0.618 0.694 1.000 0.500 CA 1.354 7 residues pruned to eliminate duplicates Z: 8 13.339 1.924 0.937 0.763 0.857 0.429 CA 1.249 8 residues pruned to eliminate duplicates Z: 10 10.377 1.640 0.827 0.653 1.000 0.333 CB 1.002 10 residues pruned to eliminate duplicates Z: 10 10.148 1.713 0.795 0.560 0.889 0.333 CB 1.168 10 residues pruned to eliminate duplicates Z: 10 6.380 1.606 0.569 0.633 0.889 0.556 CB 0.838 10 residues pruned to eliminate duplicates Z: 11 8.762 1.750 0.542 0.691 0.900 0.600 CA 0.958 11 residues pruned to eliminate duplicates Z: 11 11.542 1.832 0.531 0.755 0.900 0.700 CA 1.152 11 residues pruned to eliminate duplicates Z: 9 6.048 1.769 0.432 0.772 0.750 0.500 CA 0.885 9 residues pruned to eliminate duplicates Z: 15 10.006 1.688 0.556 0.624 0.786 0.429 CA 1.153 15 residues pruned to eliminate duplicates Z: 14 9.085 1.724 0.451 0.697 0.769 0.692 CA 1.094 14 residues pruned to eliminate duplicates Z: 13 12.419 1.751 0.500 0.744 1.000 0.583 CA 1.098 13 residues pruned to eliminate duplicates Z: 14 9.954 1.712 0.494 0.718 0.923 0.615 CA 0.960 14 residues pruned to eliminate duplicates Z: 14 11.427 1.681 0.659 0.660 1.000 0.846 CA 0.980 14 residues pruned to eliminate duplicates Z: 32 20.598 1.845 0.577 0.593 0.903 0.548 CB 1.288 32 residues pruned to eliminate duplicates Z: 16 7.213 1.678 0.509 0.265 0.800 0.333 CB 1.201 24 residues pruned to eliminate duplicates Z: 14 15.384 1.909 0.517 0.539 1.000 0.846 CB 1.419 14 residues pruned to eliminate duplicates Z: 6 4.794 1.743 1.092 0.459 0.600 0.600 CB 1.021 Z: 14 11.389 1.693 0.548 0.801 1.000 0.923 CA 0.926 14 residues pruned to eliminate duplicates Z: 13 8.736 1.802 0.408 0.670 1.000 0.750 CA 0.849 13 residues pruned to eliminate duplicates Z: 12 11.917 1.885 0.373 0.762 1.000 0.636 CA 1.100 12 residues pruned to eliminate duplicates Z: 43 22.427 1.886 0.408 0.622 0.929 0.619 CA 1.251 49 residues pruned to eliminate duplicates Z: 13 10.280 1.852 0.331 0.674 1.000 0.750 CA 1.026 13 residues pruned to eliminate duplicates Z: 43 18.921 1.840 0.446 0.595 0.857 0.667 CA 1.169 55 residues pruned to eliminate duplicates Z: 12 10.739 1.792 0.383 0.708 0.909 0.909 CA 1.190 Z: 11 10.032 1.838 0.354 0.812 1.000 0.900 CA 0.972 11 residues pruned to eliminate duplicates Z: 11 12.378 1.856 0.331 0.842 1.000 0.700 CA 1.181 12 residues pruned to eliminate duplicates Z: 12 10.627 1.628 0.418 0.895 1.000 0.818 CA 0.995 10 residues pruned to eliminate duplicates Z: 12 10.201 1.645 0.425 0.872 0.909 0.818 CA 1.052 12 residues pruned to eliminate duplicates Z: 14 8.045 1.694 0.243 0.682 1.000 0.769 CA 0.897 14 residues pruned to eliminate duplicates Z: 46 18.938 1.834 0.594 0.501 0.844 0.622 CA 1.143 38 residues pruned to eliminate duplicates Z: 7 8.330 1.600 0.574 0.704 0.833 0.333 CA 1.345 7 residues pruned to eliminate duplicates Z: 13 15.380 1.938 0.674 0.511 1.000 0.500 CA 1.354 13 residues pruned to eliminate duplicates Z: 48 18.627 1.853 0.553 0.499 0.872 0.447 CA 1.083 48 residues pruned to eliminate duplicates Z: 12 10.082 1.792 0.610 0.422 1.000 0.455 CA 1.142 12 residues pruned to eliminate duplicates Z: 16 11.710 1.790 0.670 0.422 0.867 0.400 CB 1.267 16 residues pruned to eliminate duplicates Z: 25 16.460 1.906 0.631 0.536 0.875 0.625 CA 1.192 25 residues pruned to eliminate duplicates Z: 12 16.241 1.922 0.674 0.572 1.000 0.636 CA 1.420 12 residues pruned to eliminate duplicates Z: 39 15.987 1.870 0.469 0.436 0.842 0.632 CA 1.198 39 residues pruned to eliminate duplicates Z: 45 22.198 1.889 0.460 0.568 0.909 0.636 CB 1.249 45 residues pruned to eliminate duplicates Z: 17 11.824 1.741 0.606 0.427 1.000 0.500 CA 1.141 17 residues pruned to eliminate duplicates Z: 14 14.298 1.918 0.650 0.461 1.000 0.538 CA 1.304 14 residues pruned to eliminate duplicates Z: 30 21.441 1.940 0.695 0.527 0.897 0.414 CA 1.315 30 residues pruned to eliminate duplicates Z: 37 20.227 1.930 0.615 0.478 0.861 0.389 CA 1.285 37 residues pruned to eliminate duplicates Z: 38 20.769 1.947 0.692 0.541 0.784 0.486 CA 1.271 38 residues pruned to eliminate duplicates Z: 37 20.307 1.907 0.634 0.485 0.861 0.528 CB 1.280 37 residues pruned to eliminate duplicates Z: 33 21.521 1.933 0.659 0.547 0.875 0.562 CB 1.295 33 residues pruned to eliminate duplicates Z: 39 21.595 1.896 0.677 0.482 0.868 0.421 CA 1.292 39 residues pruned to eliminate duplicates Z: 31 23.510 2.014 0.633 0.570 0.900 0.567 CA 1.355 31 residues pruned to eliminate duplicates Z: 15 14.590 1.944 0.806 0.599 0.857 0.429 CA 1.179 15 residues pruned to eliminate duplicates Z: 48 21.396 1.893 0.678 0.492 0.787 0.404 CA 1.258 48 residues pruned to eliminate duplicates Z: 47 25.039 1.901 0.671 0.533 0.870 0.370 CB 1.293 47 residues pruned to eliminate duplicates Z: 25 14.022 1.846 0.687 0.541 0.792 0.458 CB 1.115 25 residues pruned to eliminate duplicates Z: 38 19.344 1.862 0.736 0.483 0.865 0.486 CB 1.158 38 residues pruned to eliminate duplicates Z: 12 5.943 1.876 0.321 0.451 0.727 0.364 CA 1.045 12 residues pruned to eliminate duplicates Z: 51 25.489 1.932 0.619 0.552 0.860 0.560 CA 1.274 51 residues pruned to eliminate duplicates Z: 11 8.423 1.852 0.417 0.447 0.900 0.600 CA 1.191 11 residues pruned to eliminate duplicates Z: 46 27.557 1.942 0.762 0.529 0.911 0.511 CA 1.281 46 residues pruned to eliminate duplicates Z: 13 8.234 1.894 0.578 0.352 0.750 0.417 CA 1.244 13 residues pruned to eliminate duplicates Z: 35 18.310 1.917 0.698 0.420 0.824 0.559 CA 1.274 35 residues pruned to eliminate duplicates Z: 24 20.836 1.934 0.696 0.581 0.957 0.696 CA 1.280 24 residues pruned to eliminate duplicates Z: 13 7.806 1.852 0.420 0.355 0.750 0.583 CA 1.337 13 residues pruned to eliminate duplicates Z: 20 13.515 1.944 0.691 0.489 0.947 0.632 CA 1.006 20 residues pruned to eliminate duplicates Z: 21 14.935 1.940 0.722 0.492 0.850 0.550 CA 1.186 21 residues pruned to eliminate duplicates Z: 17 12.669 1.923 0.422 0.543 0.812 0.500 CA 1.367 17 residues pruned to eliminate duplicates Z: 22 12.714 1.952 0.599 0.464 0.810 0.571 CA 1.139 22 residues pruned to eliminate duplicates Z: 26 10.952 1.823 0.498 0.343 0.920 0.480 CA 1.034 26 residues pruned to eliminate duplicates Z: 11 9.157 1.740 1.072 0.295 0.800 0.300 C 1.263 11 residues pruned to eliminate duplicates Z: 42 24.559 1.941 0.776 0.484 0.902 0.537 CA 1.253 42 residues pruned to eliminate duplicates Z: 134 46.635 1.994 0.561 0.521 0.917 0.632 CB 1.387 164 residues pruned to eliminate duplicates Z: 10 6.897 1.667 0.341 0.545 0.889 0.444 CB 1.108 10 residues pruned to eliminate duplicates Z: 12 7.505 1.757 0.409 0.555 0.909 0.636 CB 0.953 12 residues pruned to eliminate duplicates Z: 12 7.432 1.721 0.463 0.560 0.818 0.727 CA 1.026 12 residues pruned to eliminate duplicates Z: 11 7.619 1.847 0.329 0.532 0.900 0.700 CB 1.058 11 residues pruned to eliminate duplicates Z: 38 15.824 1.835 0.474 0.377 0.838 0.649 CA 1.309 38 residues pruned to eliminate duplicates Z: 28 14.185 1.777 0.668 0.338 0.852 0.556 CA 1.290 28 residues pruned to eliminate duplicates Z: 35 17.555 1.770 0.490 0.485 0.882 0.412 CB 1.312 35 residues pruned to eliminate duplicates Z: 19 11.760 1.813 0.360 0.462 0.889 0.611 CB 1.314 19 residues pruned to eliminate duplicates Z: 22 11.520 1.781 0.268 0.410 0.905 0.619 CA 1.353 22 residues pruned to eliminate duplicates Z: 9 10.297 1.791 0.326 0.511 1.000 0.625 CA 1.517 9 residues pruned to eliminate duplicates Z: 23 9.384 1.758 0.336 0.310 0.818 0.455 CB 1.285 23 residues pruned to eliminate duplicates Z: 17 9.217 1.712 0.394 0.372 0.875 0.500 CB 1.265 17 residues pruned to eliminate duplicates Z: 21 8.103 1.820 0.368 0.368 0.700 0.400 CA 1.197 21 residues pruned to eliminate duplicates Z: 83 38.015 2.046 0.536 0.531 0.890 0.646 CA 1.455 83 residues pruned to eliminate duplicates Z: 9 3.565 1.484 0.581 0.343 0.625 0.125 CA 1.020 9 residues pruned to eliminate duplicates Z: 15 10.143 1.921 0.826 0.285 0.786 0.429 CA 1.252 15 residues pruned to eliminate duplicates Z: 88 38.234 2.017 0.502 0.516 0.920 0.609 CA 1.449 88 residues pruned to eliminate duplicates Z: 9 7.569 1.576 0.687 0.552 0.875 0.625 N 1.093 9 residues pruned to eliminate duplicates Z: 75 38.670 2.033 0.534 0.591 0.905 0.581 CB 1.459 75 residues pruned to eliminate duplicates Z: 6 9.382 1.844 1.166 0.452 0.800 0.400 CA 1.379 6 residues pruned to eliminate duplicates Z: 14 5.275 1.771 0.813 0.223 0.615 0.231 CA 1.024 14 residues pruned to eliminate duplicates Z: 41 16.047 1.846 0.596 0.445 0.775 0.375 CB 1.176 41 residues pruned to eliminate duplicates Z: 13 12.941 1.987 0.488 0.730 0.833 0.500 CA 1.232 13 residues pruned to eliminate duplicates Z: 14 10.107 1.995 0.344 0.682 0.769 0.615 CB 1.150 14 residues pruned to eliminate duplicates Z: 68 40.277 2.060 0.516 0.634 0.940 0.672 CA 1.478 68 residues pruned to eliminate duplicates Z: 14 15.569 1.865 0.597 0.762 0.923 0.538 CA 1.244 14 residues pruned to eliminate duplicates Z: 62 38.620 2.100 0.437 0.627 0.967 0.705 CB 1.504 62 residues pruned to eliminate duplicates Z: 67 39.883 2.080 0.509 0.630 0.939 0.667 CB 1.473 67 residues pruned to eliminate duplicates Z: 15 14.588 1.865 0.740 0.773 0.786 0.571 CA 1.201 15 residues pruned to eliminate duplicates Z: 15 11.618 1.882 0.408 0.626 0.857 0.500 CA 1.214 15 residues pruned to eliminate duplicates Z: 64 37.673 2.072 0.461 0.611 0.952 0.698 CB 1.481 64 residues pruned to eliminate duplicates Z: 67 38.742 2.085 0.543 0.604 0.924 0.697 CB 1.453 67 residues pruned to eliminate duplicates Z: 67 38.608 2.046 0.472 0.637 0.955 0.682 CB 1.453 67 residues pruned to eliminate duplicates Z: 43 30.348 2.058 0.472 0.646 0.929 0.714 CA 1.452 43 residues pruned to eliminate duplicates Z: 67 36.863 2.016 0.467 0.617 0.939 0.652 CB 1.462 67 residues pruned to eliminate duplicates Z: 67 39.571 2.073 0.514 0.645 0.909 0.652 CA 1.491 67 residues pruned to eliminate duplicates Z: 52 27.520 2.034 0.542 0.536 0.843 0.490 CA 1.406 52 residues pruned to eliminate duplicates Z: 89 39.419 2.010 0.518 0.539 0.920 0.636 CA 1.441 89 residues pruned to eliminate duplicates Z: 61 41.834 2.106 0.533 0.651 0.967 0.683 CB 1.503 61 residues pruned to eliminate duplicates Z: 67 40.216 2.076 0.515 0.635 0.939 0.712 CA 1.476 67 residues pruned to eliminate duplicates Z: 6 3.245 1.580 0.180 0.439 1.000 0.800 CA 0.829 6 residues pruned to eliminate duplicates Z: 52 33.830 2.087 0.435 0.580 0.961 0.686 CB 1.525 52 residues pruned to eliminate duplicates Z: 6 3.676 1.793 0.516 0.151 0.800 0.200 CA 1.161 6 residues pruned to eliminate duplicates Z: 68 39.762 2.068 0.484 0.612 0.955 0.716 CA 1.491 68 residues pruned to eliminate duplicates Z: 67 35.343 2.074 0.474 0.603 0.909 0.667 CB 1.419 67 residues pruned to eliminate duplicates Z: 77 37.110 2.015 0.532 0.589 0.895 0.658 CA 1.415 76 residues pruned to eliminate duplicates Z: 15 20.175 2.250 0.152 0.715 1.000 0.714 CA 1.712 15 residues pruned to eliminate duplicates Z: 51 32.703 2.099 0.346 0.589 0.980 0.680 CA 1.533 51 residues pruned to eliminate duplicates Z: 83 38.491 2.035 0.547 0.549 0.902 0.646 CA 1.426 84 residues pruned to eliminate duplicates Z: 12 15.047 2.255 -0.170 0.915 1.000 0.909 CA 1.714 12 residues pruned to eliminate duplicates Z: 69 38.597 2.042 0.492 0.606 0.941 0.588 CB 1.476 69 residues pruned to eliminate duplicates Z: 67 39.407 2.069 0.476 0.626 0.955 0.727 CA 1.478 67 residues pruned to eliminate duplicates Z: 70 38.892 2.034 0.538 0.606 0.913 0.638 CA 1.482 70 residues pruned to eliminate duplicates Z: 13 25.245 2.179 0.477 0.874 1.000 0.667 CA 1.649 13 residues pruned to eliminate duplicates Z: 68 34.920 2.069 0.362 0.602 0.940 0.701 CA 1.461 68 residues pruned to eliminate duplicates Z: 67 35.968 2.068 0.392 0.623 0.924 0.576 CB 1.481 67 residues pruned to eliminate duplicates Z: 67 39.065 2.078 0.546 0.625 0.894 0.712 CA 1.489 67 residues pruned to eliminate duplicates Z: 43 28.150 2.024 0.514 0.606 0.929 0.643 CB 1.380 43 residues pruned to eliminate duplicates Z: 63 39.553 2.078 0.492 0.628 0.968 0.645 CB 1.484 63 residues pruned to eliminate duplicates Z: 62 42.471 2.109 0.528 0.644 0.967 0.639 CA 1.526 62 residues pruned to eliminate duplicates Z: 7 5.321 1.640 0.562 0.521 0.667 0.500 CA 1.245 7 residues pruned to eliminate duplicates Z: 67 40.024 2.064 0.543 0.615 0.970 0.545 CB 1.431 67 residues pruned to eliminate duplicates Z: 9 8.875 1.918 0.132 0.615 1.000 1.000 CA 1.295 9 residues pruned to eliminate duplicates Z: 28 22.566 1.974 0.602 0.575 0.889 0.741 CA 1.438 28 residues pruned to eliminate duplicates Z: 68 35.516 2.042 0.485 0.570 0.925 0.552 CB 1.445 68 residues pruned to eliminate duplicates Z: 68 41.233 2.062 0.610 0.615 0.940 0.597 CB 1.447 68 residues pruned to eliminate duplicates Z: 6 7.588 1.878 0.664 0.400 1.000 0.600 CB 1.206 6 residues pruned to eliminate duplicates Z: 27 24.013 2.028 0.542 0.597 0.923 0.769 CA 1.487 27 residues pruned to eliminate duplicates Z: 49 31.946 2.088 0.493 0.562 0.917 0.604 CB 1.519 49 residues pruned to eliminate duplicates Z: 62 41.329 2.081 0.568 0.654 0.967 0.607 CA 1.453 62 residues pruned to eliminate duplicates Z: 65 31.652 1.993 0.554 0.573 0.859 0.594 CB 1.385 65 residues pruned to eliminate duplicates Z: 64 40.552 2.088 0.558 0.625 0.952 0.683 CB 1.466 64 residues pruned to eliminate duplicates Z: 46 33.478 2.057 0.612 0.577 0.933 0.600 CB 1.497 46 residues pruned to eliminate duplicates Z: 66 37.923 2.026 0.465 0.601 0.954 0.615 CA 1.509 66 residues pruned to eliminate duplicates Z: 64 39.495 2.065 0.636 0.619 0.952 0.508 CB 1.382 64 residues pruned to eliminate duplicates Z: 14 23.235 2.051 0.704 0.894 0.923 0.615 CA 1.433 14 residues pruned to eliminate duplicates Z: 26 21.533 2.011 0.480 0.613 0.920 0.600 CB 1.413 26 residues pruned to eliminate duplicates Z: 26 24.524 2.059 0.492 0.621 0.920 0.720 CA 1.547 26 residues pruned to eliminate duplicates Z: 68 42.580 2.065 0.609 0.612 0.955 0.597 CB 1.474 68 residues pruned to eliminate duplicates Z: 67 43.289 2.067 0.615 0.625 0.955 0.561 CB 1.487 67 residues pruned to eliminate duplicates Z: 19 18.758 1.940 0.469 0.836 0.889 0.556 CB 1.306 19 residues pruned to eliminate duplicates Z: 13 9.387 1.642 0.756 0.742 0.917 0.583 CB 0.825 13 residues pruned to eliminate duplicates Z: 18 12.124 1.651 0.588 0.667 0.941 0.471 CB 1.022 13 residues pruned to eliminate duplicates Z: 13 14.593 1.614 0.792 0.892 1.000 0.583 CA 1.047 18 residues pruned to eliminate duplicates Z: 12 11.488 1.709 0.795 0.818 0.909 0.455 CB 0.942 12 residues pruned to eliminate duplicates Z: 12 9.756 1.751 0.735 0.752 0.727 0.364 CB 1.063 12 residues pruned to eliminate duplicates Z: 13 13.036 1.685 0.789 0.750 1.000 0.583 CB 0.999 13 residues pruned to eliminate duplicates Z: 31 17.613 1.693 0.653 0.512 0.933 0.633 CA 1.216 31 residues pruned to eliminate duplicates Z: 12 11.664 1.687 0.720 0.824 1.000 0.455 CB 0.915 12 residues pruned to eliminate duplicates Z: 7 6.060 1.522 0.764 0.696 0.833 0.500 CA 0.924 7 residues pruned to eliminate duplicates Z: 24 10.753 1.712 0.621 0.353 0.870 0.565 CA 1.089 24 residues pruned to eliminate duplicates Z: 30 18.175 1.776 0.594 0.510 0.966 0.621 CA 1.222 30 residues pruned to eliminate duplicates Z: 31 17.847 1.723 0.596 0.498 0.933 0.533 CA 1.272 31 residues pruned to eliminate duplicates Z: 49 21.737 1.857 0.411 0.574 0.854 0.667 CA 1.305 49 residues pruned to eliminate duplicates Z: 26 14.064 1.725 0.495 0.444 0.920 0.640 CA 1.255 26 residues pruned to eliminate duplicates Z: 28 20.748 1.810 0.655 0.549 0.889 0.630 CA 1.430 28 residues pruned to eliminate duplicates Z: 25 20.434 1.872 0.462 0.623 0.958 0.708 CA 1.415 25 residues pruned to eliminate duplicates Z: 25 14.642 1.753 0.439 0.462 0.917 0.583 CA 1.344 25 residues pruned to eliminate duplicates Z: 43 19.729 1.799 0.455 0.490 0.929 0.643 CA 1.265 43 residues pruned to eliminate duplicates Z: 28 21.419 1.780 0.606 0.568 0.963 0.667 CA 1.402 28 residues pruned to eliminate duplicates Z: 29 20.552 1.766 0.556 0.591 0.929 0.643 CA 1.396 29 residues pruned to eliminate duplicates Z: 27 19.498 1.815 0.536 0.586 0.923 0.731 CA 1.368 27 residues pruned to eliminate duplicates Z: 54 25.132 1.851 0.468 0.572 0.962 0.623 CA 1.232 54 residues pruned to eliminate duplicates Z: 27 20.347 1.820 0.556 0.578 0.923 0.731 CA 1.416 27 residues pruned to eliminate duplicates Z: 27 21.585 1.826 0.596 0.587 0.962 0.577 CA 1.390 27 residues pruned to eliminate duplicates Z: 27 21.048 1.812 0.611 0.597 0.923 0.692 CA 1.396 27 residues pruned to eliminate duplicates Z: 28 20.851 1.817 0.636 0.541 0.889 0.519 CA 1.459 28 residues pruned to eliminate duplicates Z: 28 22.192 1.804 0.576 0.600 0.963 0.519 CA 1.418 28 residues pruned to eliminate duplicates Z: 27 23.323 1.836 0.745 0.581 0.962 0.654 CA 1.373 27 residues pruned to eliminate duplicates Z: 26 22.846 1.855 0.622 0.603 0.960 0.560 CA 1.434 26 residues pruned to eliminate duplicates Z: 27 21.722 1.788 0.711 0.592 0.923 0.615 CA 1.382 27 residues pruned to eliminate duplicates Z: 26 23.058 1.865 0.649 0.599 0.920 0.600 CA 1.482 26 residues pruned to eliminate duplicates Z: 26 24.592 1.818 0.726 0.614 0.960 0.560 CA 1.466 26 residues pruned to eliminate duplicates Z: 24 25.179 1.910 0.764 0.652 0.913 0.565 CA 1.481 24 residues pruned to eliminate duplicates Z: 27 22.280 1.791 0.640 0.591 0.962 0.462 CA 1.418 27 residues pruned to eliminate duplicates Z: 17 17.859 1.801 0.630 0.666 0.875 0.375 CA 1.491 17 residues pruned to eliminate duplicates Z: 50 25.076 1.866 0.527 0.593 0.918 0.633 CA 1.252 50 residues pruned to eliminate duplicates Z: 40 21.727 1.743 0.574 0.529 0.949 0.462 CA 1.299 40 residues pruned to eliminate duplicates Z: 8 2.304 1.532 0.096 0.271 0.857 0.857 CB 0.785 8 residues pruned to eliminate duplicates Z: 25 14.551 1.949 0.331 0.583 0.958 0.708 CA 1.103 25 residues pruned to eliminate duplicates Z: 26 13.218 1.859 0.306 0.559 0.960 0.600 CA 1.070 26 residues pruned to eliminate duplicates Z: 25 15.004 1.891 0.422 0.593 0.875 0.625 CA 1.190 25 residues pruned to eliminate duplicates Z: 25 15.698 1.865 0.345 0.635 1.000 0.833 CA 1.125 25 residues pruned to eliminate duplicates Z: 24 12.752 1.929 0.234 0.620 0.957 0.783 CA 1.043 24 residues pruned to eliminate duplicates Z: 11 6.552 1.769 0.255 0.417 0.900 0.600 CA 1.131 11 residues pruned to eliminate duplicates Z: 24 15.199 1.896 0.315 0.657 1.000 0.435 CA 1.099 24 residues pruned to eliminate duplicates Z: 25 16.360 1.930 0.579 0.589 1.000 0.625 CA 1.006 25 residues pruned to eliminate duplicates Z: 27 15.808 1.854 0.429 0.557 0.923 0.692 CA 1.199 27 residues pruned to eliminate duplicates Z: 29 15.369 1.859 0.351 0.540 0.964 0.607 CA 1.153 29 residues pruned to eliminate duplicates Z: 20 17.764 2.038 0.406 0.707 0.947 0.526 CA 1.244 20 residues pruned to eliminate duplicates Z: 24 15.981 1.890 0.370 0.653 0.957 0.565 CA 1.167 24 residues pruned to eliminate duplicates Z: 25 15.050 1.951 0.312 0.602 0.958 0.583 CA 1.136 25 residues pruned to eliminate duplicates Z: 25 14.589 1.913 0.395 0.609 0.958 0.542 CA 1.050 25 residues pruned to eliminate duplicates Z: 50 22.556 1.848 0.596 0.543 0.857 0.449 CA 1.223 50 residues pruned to eliminate duplicates Z: 26 14.324 1.898 0.481 0.589 0.920 0.560 CA 1.018 26 residues pruned to eliminate duplicates Z: 19 15.503 1.967 0.449 0.635 1.000 0.611 CA 1.130 19 residues pruned to eliminate duplicates Z: 24 12.734 1.922 0.428 0.568 0.957 0.609 CA 0.948 24 residues pruned to eliminate duplicates Z: 58 25.963 1.801 0.584 0.524 0.930 0.491 CA 1.267 58 residues pruned to eliminate duplicates Z: 15 14.990 2.031 0.530 0.825 0.929 0.643 CA 1.048 15 residues pruned to eliminate duplicates Z: 27 15.886 1.890 0.446 0.578 0.923 0.500 CA 1.145 27 residues pruned to eliminate duplicates Z: 26 12.963 1.896 0.393 0.486 0.880 0.560 CA 1.131 26 residues pruned to eliminate duplicates Z: 23 18.594 1.978 0.604 0.623 0.955 0.500 CA 1.166 23 residues pruned to eliminate duplicates Z: 25 18.637 1.936 0.511 0.654 1.000 0.542 CA 1.127 25 residues pruned to eliminate duplicates Z: 20 16.601 1.894 0.879 0.380 0.842 0.421 CA 1.445 20 residues pruned to eliminate duplicates Z: 23 12.626 1.828 0.559 0.346 0.818 0.455 CB 1.365 23 residues pruned to eliminate duplicates Z: 23 20.207 1.964 0.737 0.411 0.955 0.409 CA 1.452 23 residues pruned to eliminate duplicates Z: 21 17.590 1.955 0.856 0.334 0.900 0.600 CB 1.445 21 residues pruned to eliminate duplicates Z: 21 16.458 1.916 0.764 0.323 0.950 0.400 CB 1.393 21 residues pruned to eliminate duplicates Z: 20 15.647 1.983 0.790 0.319 0.842 0.316 CA 1.467 20 residues pruned to eliminate duplicates Z: 27 19.977 1.904 0.827 0.395 0.885 0.577 CA 1.421 27 residues pruned to eliminate duplicates Z: 20 16.483 1.954 0.892 0.349 0.842 0.579 CB 1.431 20 residues pruned to eliminate duplicates Z: 24 14.584 1.861 0.731 0.283 0.826 0.478 CB 1.460 24 residues pruned to eliminate duplicates Z: 20 18.166 1.962 0.794 0.361 0.947 0.526 CB 1.452 20 residues pruned to eliminate duplicates Z: 21 15.124 1.952 0.688 0.321 0.850 0.550 CB 1.471 21 residues pruned to eliminate duplicates Z: 22 15.915 1.944 0.668 0.311 0.905 0.476 CB 1.460 22 residues pruned to eliminate duplicates Z: 25 13.320 1.853 0.774 0.273 0.833 0.375 CA 1.285 25 residues pruned to eliminate duplicates Z: 20 14.602 1.941 0.559 0.361 0.895 0.368 CB 1.437 20 residues pruned to eliminate duplicates Z: 20 12.754 1.926 0.588 0.289 0.842 0.368 CB 1.441 20 residues pruned to eliminate duplicates Z: 24 16.754 1.908 0.764 0.358 0.826 0.565 CA 1.465 24 residues pruned to eliminate duplicates Z: 27 16.178 1.863 0.623 0.313 0.923 0.462 CA 1.398 27 residues pruned to eliminate duplicates Z: 27 16.824 1.848 0.718 0.285 0.962 0.500 CA 1.376 27 residues pruned to eliminate duplicates Z: 26 17.700 1.898 0.625 0.369 0.960 0.480 CB 1.375 26 residues pruned to eliminate duplicates Z: 27 16.652 1.851 0.686 0.374 0.885 0.423 CA 1.353 27 residues pruned to eliminate duplicates Z: 26 15.229 1.884 0.546 0.312 0.920 0.520 CA 1.400 26 residues pruned to eliminate duplicates Z: 47 27.124 2.032 0.598 0.461 0.913 0.522 CB 1.404 47 residues pruned to eliminate duplicates 6 1.570 1.337 0.380 0.173 1.000 0.600 N 0.566 ? Z: 27 24.461 2.073 0.540 0.582 0.962 0.654 CA 1.444 27 residues pruned to eliminate duplicates Z: 79 37.902 2.022 0.675 0.464 0.936 0.564 CA 1.405 79 residues pruned to eliminate duplicates Z: 37 22.616 2.060 0.491 0.453 0.889 0.611 CB 1.449 37 residues pruned to eliminate duplicates Z: 57 34.398 2.064 0.587 0.532 0.946 0.589 CA 1.436 57 residues pruned to eliminate duplicates Z: 35 26.001 2.105 0.597 0.472 0.941 0.559 CB 1.450 35 residues pruned to eliminate duplicates Z: 23 24.393 2.130 0.484 0.608 1.000 0.591 CB 1.485 23 residues pruned to eliminate duplicates Z: 54 33.541 2.078 0.641 0.540 0.906 0.566 CA 1.434 54 residues pruned to eliminate duplicates Z: 63 33.285 2.013 0.619 0.514 0.935 0.581 CA 1.367 70 residues pruned to eliminate duplicates Z: 45 30.772 2.050 0.723 0.474 0.955 0.659 CB 1.412 45 residues pruned to eliminate duplicates Z: 54 33.812 2.096 0.607 0.539 0.943 0.604 CA 1.407 54 residues pruned to eliminate duplicates Z: 57 31.140 2.054 0.641 0.509 0.911 0.607 CA 1.344 57 residues pruned to eliminate duplicates Z: 23 28.538 2.131 0.752 0.669 1.000 0.636 CB 1.394 23 residues pruned to eliminate duplicates Z: 34 25.520 2.130 0.498 0.489 0.970 0.545 CB 1.452 34 residues pruned to eliminate duplicates Z: 51 30.937 2.022 0.569 0.533 0.960 0.540 CA 1.390 51 residues pruned to eliminate duplicates Z: 54 33.186 2.093 0.524 0.549 0.943 0.547 CA 1.444 54 residues pruned to eliminate duplicates Z: 59 29.120 2.053 0.421 0.495 0.948 0.586 CB 1.389 59 residues pruned to eliminate duplicates Z: 33 23.318 2.129 0.447 0.490 0.969 0.594 CB 1.396 33 residues pruned to eliminate duplicates Z: 61 35.547 2.054 0.594 0.533 0.967 0.617 CA 1.403 61 residues pruned to eliminate duplicates Z: 55 36.052 2.075 0.660 0.526 0.963 0.593 CA 1.441 55 residues pruned to eliminate duplicates Z: 34 29.581 2.110 0.597 0.506 1.000 0.515 CA 1.519 34 residues pruned to eliminate duplicates Z: 47 31.060 2.065 0.722 0.499 0.935 0.500 CA 1.379 47 residues pruned to eliminate duplicates Z: 61 32.605 2.072 0.566 0.496 0.917 0.600 CA 1.420 61 residues pruned to eliminate duplicates Z: 53 36.245 2.091 0.675 0.545 0.942 0.596 CA 1.458 53 residues pruned to eliminate duplicates Z: 62 30.170 1.991 0.530 0.507 0.918 0.557 CA 1.372 62 residues pruned to eliminate duplicates Z: 43 24.443 1.980 0.530 0.453 0.976 0.476 CA 1.338 43 residues pruned to eliminate duplicates Z: 44 31.828 2.097 0.694 0.493 0.953 0.581 CB 1.443 44 residues pruned to eliminate duplicates Z: 52 36.878 2.071 0.686 0.575 0.980 0.686 CB 1.404 52 residues pruned to eliminate duplicates Z: 55 32.153 2.036 0.550 0.555 0.963 0.574 CA 1.366 55 residues pruned to eliminate duplicates Z: 54 35.861 2.091 0.713 0.564 0.925 0.660 CA 1.399 54 residues pruned to eliminate duplicates Z: 41 21.187 1.951 0.589 0.396 0.875 0.575 CA 1.377 41 residues pruned to eliminate duplicates Z: 54 33.914 2.077 0.593 0.550 0.962 0.585 CA 1.393 54 residues pruned to eliminate duplicates Z: 59 32.990 2.030 0.617 0.540 0.931 0.638 CA 1.363 59 residues pruned to eliminate duplicates Z: 57 36.960 2.004 0.723 0.571 0.946 0.661 CA 1.411 57 residues pruned to eliminate duplicates Z: 69 36.074 2.018 0.709 0.434 0.941 0.544 CA 1.444 69 residues pruned to eliminate duplicates Z: 79 37.504 2.015 0.725 0.492 0.885 0.526 CA 1.393 79 residues pruned to eliminate duplicates Z: 60 34.140 2.052 0.664 0.509 0.949 0.661 CA 1.360 60 residues pruned to eliminate duplicates Z: 54 34.081 2.073 0.586 0.566 0.962 0.660 CA 1.389 54 residues pruned to eliminate duplicates Z: 53 33.883 2.072 0.689 0.560 0.904 0.577 CA 1.401 53 residues pruned to eliminate duplicates Z: 42 31.930 2.098 0.706 0.475 0.951 0.488 CA 1.501 42 residues pruned to eliminate duplicates Z: 47 29.351 2.066 0.699 0.488 0.848 0.522 CA 1.473 47 residues pruned to eliminate duplicates Z: 22 15.416 1.925 0.353 0.591 0.952 0.571 CA 1.243 22 residues pruned to eliminate duplicates Z: 53 31.788 2.056 0.527 0.602 0.923 0.692 CA 1.380 53 residues pruned to eliminate duplicates Z: 58 32.402 2.039 0.611 0.529 0.930 0.632 CA 1.366 58 residues pruned to eliminate duplicates Z: 56 34.224 2.056 0.657 0.553 0.945 0.582 CA 1.360 56 residues pruned to eliminate duplicates Z: 60 35.208 2.052 0.593 0.577 0.932 0.593 CA 1.396 60 residues pruned to eliminate duplicates Z: 53 39.389 2.083 0.701 0.579 0.981 0.519 CA 1.457 53 residues pruned to eliminate duplicates Z: 19 23.845 2.040 0.865 0.706 0.944 0.722 CA 1.297 19 residues pruned to eliminate duplicates Z: 20 21.084 2.011 0.617 0.655 0.947 0.684 CA 1.360 20 residues pruned to eliminate duplicates Z: 26 22.227 1.992 0.641 0.606 0.920 0.680 CA 1.337 29 residues pruned to eliminate duplicates Z: 8 10.871 2.090 0.396 0.860 1.000 1.000 CA 1.036 8 residues pruned to eliminate duplicates Z: 54 36.814 2.045 0.698 0.566 0.962 0.547 CB 1.420 54 residues pruned to eliminate duplicates Z: 19 23.753 2.054 0.669 0.704 1.000 0.611 CB 1.356 19 residues pruned to eliminate duplicates Z: 19 27.253 2.042 0.816 0.760 1.000 0.667 CB 1.375 19 residues pruned to eliminate duplicates Z: 59 37.108 2.081 0.640 0.521 0.966 0.586 CA 1.448 59 residues pruned to eliminate duplicates Z: 79 39.069 2.023 0.683 0.472 0.936 0.603 CA 1.428 79 residues pruned to eliminate duplicates Z: 23 17.879 1.912 0.649 0.561 0.909 0.500 CA 1.253 23 residues pruned to eliminate duplicates Z: 22 17.923 1.926 0.732 0.561 0.952 0.429 CB 1.160 22 residues pruned to eliminate duplicates Z: 74 35.786 2.013 0.611 0.454 0.932 0.466 CB 1.454 71 residues pruned to eliminate duplicates Z: 6 2.482 1.573 1.012 0.319 0.600 0.400 N 0.714 6 residues pruned to eliminate duplicates Z: 16 14.290 1.904 0.719 0.371 0.933 0.667 CB 1.388 16 residues pruned to eliminate duplicates Z: 46 23.390 1.896 0.707 0.414 0.867 0.578 CB 1.360 46 residues pruned to eliminate duplicates Z: 38 22.760 1.910 0.748 0.370 0.892 0.676 CB 1.445 38 residues pruned to eliminate duplicates Z: 39 27.448 1.938 0.813 0.470 0.947 0.632 CB 1.378 39 residues pruned to eliminate duplicates Z: 15 14.734 1.980 0.605 0.345 1.000 0.714 CB 1.467 15 residues pruned to eliminate duplicates Z: 39 21.172 1.901 0.651 0.449 0.842 0.579 CB 1.370 39 residues pruned to eliminate duplicates Z: 15 14.544 1.995 0.708 0.294 1.000 0.643 CB 1.437 15 residues pruned to eliminate duplicates Z: 19 12.675 1.875 0.517 0.350 0.889 0.556 CB 1.391 19 residues pruned to eliminate duplicates Z: 64 30.383 1.893 0.671 0.453 0.921 0.603 CB 1.380 64 residues pruned to eliminate duplicates Z: 15 14.713 1.985 0.692 0.352 0.929 0.786 CB 1.479 15 residues pruned to eliminate duplicates Z: 15 23.936 2.070 0.572 0.844 0.929 0.500 CA 1.576 15 residues pruned to eliminate duplicates Z: 20 19.678 1.970 0.589 0.650 0.842 0.632 CA 1.489 20 residues pruned to eliminate duplicates Z: 53 34.002 1.988 0.797 0.577 0.865 0.519 CA 1.417 62 residues pruned to eliminate duplicates Z: 43 36.362 2.044 0.761 0.627 0.929 0.571 CA 1.490 43 residues pruned to eliminate duplicates Z: 17 25.082 2.031 0.732 0.760 1.000 0.438 CA 1.415 17 residues pruned to eliminate duplicates Z: 48 29.343 1.972 0.735 0.570 0.830 0.489 CA 1.410 48 residues pruned to eliminate duplicates Z: 19 20.641 1.913 0.614 0.766 0.944 0.500 CA 1.317 19 residues pruned to eliminate duplicates Z: 19 19.958 1.930 0.612 0.687 0.944 0.556 CA 1.349 19 residues pruned to eliminate duplicates Z: 17 27.461 2.088 0.701 0.764 1.000 0.625 CA 1.529 17 residues pruned to eliminate duplicates Z: 23 17.208 1.823 0.762 0.587 0.864 0.500 CA 1.216 23 residues pruned to eliminate duplicates Z: 16 24.800 2.058 0.740 0.805 0.933 0.600 CA 1.468 16 residues pruned to eliminate duplicates Z: 14 22.666 2.035 0.933 0.797 0.769 0.231 CA 1.601 14 residues pruned to eliminate duplicates Z: 15 22.346 2.067 0.926 0.739 0.786 0.357 CA 1.540 15 residues pruned to eliminate duplicates Z: 41 36.350 2.065 0.971 0.642 0.850 0.375 CA 1.455 41 residues pruned to eliminate duplicates Z: 51 32.341 2.005 0.690 0.553 0.900 0.540 CA 1.424 51 residues pruned to eliminate duplicates Z: 38 24.480 1.969 0.841 0.459 0.865 0.514 CB 1.338 38 residues pruned to eliminate duplicates Z: 43 36.821 2.031 0.949 0.609 0.881 0.357 CA 1.470 41 residues pruned to eliminate duplicates Z: 8 10.379 1.831 0.802 0.545 0.857 0.429 CA 1.328 8 residues pruned to eliminate duplicates Z: 30 25.940 2.022 0.808 0.482 0.931 0.414 CA 1.440 30 residues pruned to eliminate duplicates Z: 29 33.613 2.122 0.875 0.593 0.929 0.571 CA 1.573 33 residues pruned to eliminate duplicates Z: 7 6.936 1.823 0.831 0.379 0.833 0.500 CA 1.158 7 residues pruned to eliminate duplicates Z: 32 32.606 2.072 0.819 0.600 0.968 0.645 CA 1.460 32 residues pruned to eliminate duplicates Z: 52 30.003 2.009 0.729 0.530 0.843 0.490 CA 1.393 52 residues pruned to eliminate duplicates Z: 32 30.786 2.071 0.802 0.575 0.935 0.581 CA 1.474 32 residues pruned to eliminate duplicates Z: 37 17.853 1.898 0.642 0.314 0.889 0.528 CA 1.319 37 residues pruned to eliminate duplicates Z: 42 24.595 1.990 0.690 0.499 0.878 0.488 CA 1.303 42 residues pruned to eliminate duplicates Z: 42 24.494 1.997 0.767 0.542 0.780 0.463 CA 1.332 42 residues pruned to eliminate duplicates Z: 34 27.056 2.009 0.758 0.536 0.939 0.394 CA 1.371 34 residues pruned to eliminate duplicates Z: 27 19.591 1.994 0.686 0.522 0.885 0.346 CA 1.265 27 residues pruned to eliminate duplicates Z: 51 34.480 1.977 0.934 0.596 0.880 0.420 CA 1.322 51 residues pruned to eliminate duplicates Z: 49 25.914 1.977 0.685 0.467 0.854 0.479 CA 1.359 49 residues pruned to eliminate duplicates Z: 36 24.947 1.974 0.879 0.492 0.857 0.314 CA 1.336 36 residues pruned to eliminate duplicates Z: 20 17.346 1.917 0.891 0.535 0.895 0.474 CA 1.186 20 residues pruned to eliminate duplicates Z: 15 9.043 1.807 0.533 0.578 0.786 0.214 CB 1.030 15 residues pruned to eliminate duplicates Z: 12 11.246 1.878 0.888 0.648 0.818 0.091 CA 1.018 12 residues pruned to eliminate duplicates Z: 13 12.894 1.967 0.778 0.642 0.750 0.250 CA 1.242 13 residues pruned to eliminate duplicates Z: 44 32.159 2.013 0.792 0.567 0.907 0.465 CA 1.406 44 residues pruned to eliminate duplicates Z: 40 22.896 1.906 0.649 0.471 0.949 0.513 CB 1.266 40 residues pruned to eliminate duplicates Z: 47 27.152 1.913 0.799 0.506 0.870 0.304 CA 1.330 47 residues pruned to eliminate duplicates Z: 38 20.045 1.942 0.582 0.430 0.892 0.459 CA 1.293 38 residues pruned to eliminate duplicates Z: 21 13.750 1.825 0.605 0.574 0.900 0.550 CB 1.085 21 residues pruned to eliminate duplicates Z: 51 30.338 2.025 0.652 0.563 0.920 0.500 CA 1.312 51 residues pruned to eliminate duplicates Z: 11 6.496 1.852 0.069 0.503 0.900 0.700 CA 1.150 11 residues pruned to eliminate duplicates Z: 49 32.117 2.045 0.718 0.575 0.896 0.604 CA 1.369 49 residues pruned to eliminate duplicates Z: 8 5.336 1.887 0.388 0.522 1.000 1.000 CA 0.754 8 residues pruned to eliminate duplicates Z: 33 23.657 1.987 0.706 0.538 0.969 0.656 CA 1.228 65 residues pruned to eliminate duplicates Z: 54 32.197 1.929 0.750 0.579 0.887 0.623 CB 1.369 54 residues pruned to eliminate duplicates Z: 36 22.097 1.877 0.580 0.534 1.000 0.686 CA 1.217 36 residues pruned to eliminate duplicates Z: 32 23.329 1.996 0.623 0.509 1.000 0.645 CA 1.283 32 residues pruned to eliminate duplicates Z: 24 23.816 2.029 0.750 0.550 0.957 0.652 CA 1.393 24 residues pruned to eliminate duplicates Z: 27 21.571 1.899 0.712 0.548 0.962 0.808 CA 1.291 27 residues pruned to eliminate duplicates Z: 32 22.791 2.009 0.667 0.465 0.935 0.742 CA 1.354 32 residues pruned to eliminate duplicates Z: 32 22.679 1.985 0.741 0.481 0.903 0.774 CA 1.330 32 residues pruned to eliminate duplicates Z: 32 21.088 2.015 0.657 0.460 0.871 0.710 CA 1.357 32 residues pruned to eliminate duplicates Z: 32 24.020 2.005 0.739 0.477 0.935 0.774 CA 1.353 32 residues pruned to eliminate duplicates Z: 37 22.819 1.907 0.726 0.471 0.917 0.667 CA 1.298 37 residues pruned to eliminate duplicates Z: 36 22.914 1.918 0.722 0.506 0.943 0.714 CA 1.236 36 residues pruned to eliminate duplicates Z: 25 27.235 2.037 0.784 0.545 1.000 0.792 CA 1.464 25 residues pruned to eliminate duplicates Z: 33 24.310 2.000 0.638 0.482 0.969 0.750 CA 1.378 33 residues pruned to eliminate duplicates Z: 36 25.169 1.913 0.618 0.574 0.971 0.743 CA 1.318 36 residues pruned to eliminate duplicates Z: 27 24.487 2.022 0.752 0.494 0.962 0.731 CA 1.419 27 residues pruned to eliminate duplicates Z: 34 23.092 1.890 0.730 0.510 0.939 0.758 CA 1.296 34 residues pruned to eliminate duplicates Z: 26 24.159 2.022 0.746 0.533 0.960 0.720 CA 1.380 26 residues pruned to eliminate duplicates Z: 38 19.990 1.897 0.579 0.400 0.919 0.541 CA 1.327 38 residues pruned to eliminate duplicates Z: 27 23.369 1.972 0.770 0.488 0.962 0.731 CA 1.383 27 residues pruned to eliminate duplicates Z: 26 26.435 2.009 0.950 0.535 0.960 0.840 CA 1.358 26 residues pruned to eliminate duplicates Z: 25 15.345 1.944 0.629 0.405 0.833 0.583 CA 1.311 25 residues pruned to eliminate duplicates Z: 31 20.698 1.924 0.723 0.470 0.933 0.700 CA 1.258 31 residues pruned to eliminate duplicates Z: 33 20.808 1.977 0.767 0.494 0.844 0.656 CA 1.256 33 residues pruned to eliminate duplicates Z: 13 10.055 1.836 0.739 0.345 1.000 0.833 CA 1.076 13 residues pruned to eliminate duplicates Z: 9 11.199 1.979 0.196 0.584 1.000 0.625 CA 1.544 9 residues pruned to eliminate duplicates Z: 8 8.254 1.952 0.155 0.537 1.000 0.714 CA 1.335 8 residues pruned to eliminate duplicates Z: 11 9.057 1.805 0.361 0.555 0.900 0.500 CB 1.228 11 residues pruned to eliminate duplicates Z: 9 13.289 2.010 0.318 0.719 1.000 0.750 CA 1.454 9 residues pruned to eliminate duplicates Z: 12 9.033 1.821 0.299 0.485 0.818 0.727 CB 1.429 12 residues pruned to eliminate duplicates Z: 11 11.410 1.873 0.340 0.562 1.000 0.700 CB 1.354 11 residues pruned to eliminate duplicates Z: 13 9.528 1.701 0.319 0.530 0.917 0.500 N 1.298 13 residues pruned to eliminate duplicates Z: 17 14.971 1.892 0.541 0.454 0.875 0.625 CB 1.538 17 residues pruned to eliminate duplicates Z: 22 11.433 1.779 0.391 0.427 0.810 0.571 CB 1.343 22 residues pruned to eliminate duplicates Z: 20 14.541 1.854 0.383 0.481 0.947 0.684 CB 1.400 20 residues pruned to eliminate duplicates Z: 19 13.349 1.858 0.349 0.498 0.889 0.667 CA 1.415 19 residues pruned to eliminate duplicates Z: 16 10.259 1.862 0.412 0.360 0.800 0.467 CA 1.464 16 residues pruned to eliminate duplicates Z: 24 12.467 1.845 0.227 0.446 0.870 0.522 CB 1.395 24 residues pruned to eliminate duplicates Z: 24 13.261 1.857 0.360 0.426 0.870 0.565 CB 1.360 24 residues pruned to eliminate duplicates Z: 15 9.604 1.802 0.271 0.455 0.857 0.714 CB 1.369 15 residues pruned to eliminate duplicates Z: 30 22.722 1.851 0.615 0.588 1.000 0.655 CA 1.297 25 residues pruned to eliminate duplicates Z: 7 4.508 1.494 1.171 0.300 0.833 0.500 CB 0.851 7 residues pruned to eliminate duplicates Z: 25 21.036 1.962 0.590 0.603 0.958 0.583 CA 1.302 25 residues pruned to eliminate duplicates Z: 29 17.427 1.821 0.585 0.524 0.857 0.643 CA 1.300 29 residues pruned to eliminate duplicates Z: 28 17.366 1.914 0.485 0.584 0.815 0.704 CA 1.331 28 residues pruned to eliminate duplicates Z: 57 26.141 1.860 0.479 0.544 0.893 0.607 CA 1.362 57 residues pruned to eliminate duplicates Z: 19 11.260 1.753 0.743 0.312 0.889 0.556 CB 1.204 19 residues pruned to eliminate duplicates Z: 45 20.751 1.825 0.680 0.448 0.818 0.455 CA 1.315 45 residues pruned to eliminate duplicates Z: 27 22.031 1.908 0.611 0.609 0.923 0.615 CA 1.373 27 residues pruned to eliminate duplicates Z: 29 19.625 1.858 0.628 0.551 0.929 0.571 CA 1.256 29 residues pruned to eliminate duplicates Z: 28 21.579 1.913 0.624 0.579 0.889 0.704 CA 1.394 28 residues pruned to eliminate duplicates Z: 27 23.248 1.916 0.733 0.619 0.923 0.577 CA 1.329 27 residues pruned to eliminate duplicates Z: 51 24.967 1.869 0.624 0.455 0.880 0.500 CB 1.384 55 residues pruned to eliminate duplicates Z: 11 20.713 1.988 0.676 0.913 1.000 0.500 CA 1.390 11 residues pruned to eliminate duplicates Z: 29 19.554 1.866 0.587 0.582 0.857 0.571 CA 1.344 29 residues pruned to eliminate duplicates Z: 40 23.032 1.887 0.639 0.510 0.821 0.462 CA 1.438 40 residues pruned to eliminate duplicates Z: 15 17.159 1.858 0.821 0.725 0.786 0.214 CB 1.408 15 residues pruned to eliminate duplicates Z: 40 25.259 1.921 0.653 0.494 0.897 0.436 CA 1.428 40 residues pruned to eliminate duplicates Z: 42 24.981 1.855 0.616 0.504 0.927 0.537 CA 1.398 42 residues pruned to eliminate duplicates Z: 39 24.373 1.914 0.635 0.522 0.842 0.421 CB 1.468 39 residues pruned to eliminate duplicates Z: 41 24.230 1.879 0.632 0.504 0.875 0.450 CA 1.423 41 residues pruned to eliminate duplicates Z: 73 30.389 1.880 0.581 0.510 0.861 0.514 CA 1.386 73 residues pruned to eliminate duplicates Z: 39 24.198 1.911 0.622 0.511 0.868 0.395 CB 1.443 39 residues pruned to eliminate duplicates Z: 46 26.755 1.872 0.646 0.545 0.889 0.400 CA 1.393 46 residues pruned to eliminate duplicates Z: 57 27.391 1.906 0.549 0.533 0.875 0.500 CA 1.372 57 residues pruned to eliminate duplicates Z: 37 25.049 1.935 0.668 0.487 0.889 0.333 CA 1.475 37 residues pruned to eliminate duplicates Z: 43 28.615 1.952 0.574 0.605 0.929 0.524 CA 1.401 43 residues pruned to eliminate duplicates Z: 113 44.774 2.009 0.502 0.559 0.920 0.580 CB 1.439 113 residues pruned to eliminate duplicates Z: 56 29.062 1.910 0.663 0.516 0.873 0.491 CA 1.392 56 residues pruned to eliminate duplicates Z: 41 22.831 1.866 0.640 0.490 0.825 0.275 CB 1.444 41 residues pruned to eliminate duplicates Z: 47 23.439 1.856 0.604 0.496 0.870 0.435 CA 1.340 47 residues pruned to eliminate duplicates Z: 40 23.452 1.893 0.563 0.489 0.897 0.410 CA 1.430 40 residues pruned to eliminate duplicates Z: 79 35.407 1.944 0.505 0.565 0.923 0.603 CA 1.393 79 residues pruned to eliminate duplicates Z: 57 29.085 1.918 0.611 0.524 0.893 0.554 CA 1.376 57 residues pruned to eliminate duplicates Z: 90 29.643 1.928 0.504 0.414 0.854 0.528 CB 1.388 90 residues pruned to eliminate duplicates Z: 52 32.723 1.961 0.613 0.592 0.941 0.569 CA 1.411 52 residues pruned to eliminate duplicates Z: 56 28.860 1.951 0.529 0.532 0.873 0.545 CB 1.449 56 residues pruned to eliminate duplicates Z: 27 19.828 1.954 0.474 0.553 0.885 0.615 CA 1.449 27 residues pruned to eliminate duplicates Z: 23 19.872 1.895 0.575 0.570 0.955 0.727 CA 1.391 23 residues pruned to eliminate duplicates Z: 66 26.079 1.803 0.609 0.483 0.862 0.431 CB 1.316 66 residues pruned to eliminate duplicates Z: 23 16.445 1.844 0.515 0.505 0.955 0.682 CB 1.309 23 residues pruned to eliminate duplicates Z: 14 17.708 1.910 0.710 0.744 0.923 0.769 CA 1.309 14 residues pruned to eliminate duplicates Z: 52 25.612 1.909 0.619 0.490 0.824 0.549 CA 1.423 52 residues pruned to eliminate duplicates Z: 51 25.124 1.924 0.599 0.477 0.860 0.460 CA 1.375 51 residues pruned to eliminate duplicates Z: 60 26.007 1.899 0.566 0.511 0.814 0.542 CB 1.384 60 residues pruned to eliminate duplicates Z: 57 31.784 1.909 0.680 0.544 0.893 0.411 CB 1.421 57 residues pruned to eliminate duplicates Z: 58 27.538 1.874 0.598 0.495 0.895 0.386 CA 1.368 58 residues pruned to eliminate duplicates Z: 61 29.702 1.920 0.549 0.560 0.850 0.533 CA 1.431 61 residues pruned to eliminate duplicates Z: 79 33.575 2.031 0.430 0.530 0.885 0.603 CB 1.437 79 residues pruned to eliminate duplicates Z: 86 35.898 1.998 0.533 0.501 0.906 0.565 CB 1.403 86 residues pruned to eliminate duplicates Z: 116 41.556 2.006 0.498 0.525 0.878 0.504 CB 1.432 116 residues pruned to eliminate duplicates Z: 64 32.716 1.988 0.628 0.481 0.921 0.635 CB 1.409 64 residues pruned to eliminate duplicates Z: 97 42.185 2.013 0.512 0.542 0.958 0.573 CB 1.417 97 residues pruned to eliminate duplicates Z: 54 33.540 2.061 0.619 0.548 0.962 0.623 CB 1.370 54 residues pruned to eliminate duplicates Z: 93 35.539 1.987 0.473 0.504 0.913 0.620 CB 1.380 93 residues pruned to eliminate duplicates Z: 72 31.615 2.010 0.492 0.523 0.901 0.634 CB 1.357 72 residues pruned to eliminate duplicates Z: 113 44.349 2.004 0.544 0.535 0.920 0.571 CB 1.423 113 residues pruned to eliminate duplicates Z: 37 22.222 2.028 0.431 0.492 0.944 0.611 CB 1.363 37 residues pruned to eliminate duplicates Z: 62 31.863 2.068 0.522 0.532 0.902 0.557 CB 1.393 62 residues pruned to eliminate duplicates Z: 54 34.586 2.112 0.515 0.569 0.962 0.660 CB 1.443 54 residues pruned to eliminate duplicates Z: 60 35.602 2.113 0.507 0.560 0.949 0.661 CB 1.447 60 residues pruned to eliminate duplicates Z: 63 32.897 2.043 0.560 0.544 0.935 0.629 CB 1.342 63 residues pruned to eliminate duplicates Z: 61 34.410 2.081 0.545 0.536 0.967 0.533 CB 1.379 61 residues pruned to eliminate duplicates Z: 53 37.393 2.137 0.643 0.566 0.923 0.596 CB 1.501 53 residues pruned to eliminate duplicates Z: 47 27.168 2.085 0.401 0.505 0.935 0.630 CB 1.460 47 residues pruned to eliminate duplicates Z: 55 33.260 2.095 0.476 0.560 0.944 0.648 CB 1.462 55 residues pruned to eliminate duplicates Z: 59 34.260 2.098 0.617 0.521 0.948 0.603 CB 1.370 59 residues pruned to eliminate duplicates Z: 70 34.058 2.042 0.559 0.507 0.913 0.609 CB 1.401 70 residues pruned to eliminate duplicates Z: 57 31.713 2.063 0.470 0.542 0.946 0.554 CB 1.417 57 residues pruned to eliminate duplicates Z: 118 41.890 1.979 0.543 0.532 0.872 0.624 CB 1.410 118 residues pruned to eliminate duplicates Z: 84 33.640 1.992 0.488 0.514 0.928 0.566 CB 1.325 84 residues pruned to eliminate duplicates Z: 116 45.884 1.988 0.559 0.542 0.930 0.565 CB 1.423 116 residues pruned to eliminate duplicates Z: 62 35.612 2.045 0.643 0.545 0.934 0.639 CB 1.390 62 residues pruned to eliminate duplicates Z: 40 21.362 1.967 0.408 0.484 0.923 0.564 CB 1.360 40 residues pruned to eliminate duplicates Z: 64 34.876 2.056 0.588 0.533 0.937 0.571 CB 1.392 64 residues pruned to eliminate duplicates Z: 112 42.755 1.975 0.634 0.532 0.874 0.559 CB 1.394 112 residues pruned to eliminate duplicates Z: 60 35.782 2.091 0.635 0.542 0.898 0.627 CB 1.456 60 residues pruned to eliminate duplicates Z: 62 33.810 2.068 0.567 0.555 0.902 0.656 CB 1.405 62 residues pruned to eliminate duplicates Z: 52 33.961 2.082 0.578 0.546 0.941 0.627 CB 1.471 52 residues pruned to eliminate duplicates Z: 61 36.913 2.071 0.523 0.597 0.950 0.650 CB 1.450 61 residues pruned to eliminate duplicates Z: 61 36.848 2.072 0.587 0.567 0.950 0.600 CB 1.427 61 residues pruned to eliminate duplicates Z: 61 34.005 2.073 0.596 0.542 0.917 0.667 CB 1.389 61 residues pruned to eliminate duplicates Z: 86 36.515 1.980 0.596 0.516 0.929 0.624 CB 1.326 86 residues pruned to eliminate duplicates Z: 67 30.409 2.010 0.540 0.488 0.924 0.667 CB 1.324 67 residues pruned to eliminate duplicates Z: 48 36.533 2.119 0.705 0.572 0.936 0.596 CB 1.470 48 residues pruned to eliminate duplicates Z: 56 37.870 2.093 0.653 0.587 0.964 0.600 CB 1.409 56 residues pruned to eliminate duplicates Z: 116 44.287 1.973 0.555 0.547 0.913 0.591 CB 1.408 116 residues pruned to eliminate duplicates Z: 38 22.951 1.936 0.576 0.509 0.919 0.649 CB 1.333 30 residues pruned to eliminate duplicates Z: 6 5.273 1.647 0.332 0.591 0.800 0.600 CB 1.231 6 residues pruned to eliminate duplicates Z: 63 32.692 2.071 0.509 0.554 0.887 0.565 CB 1.421 63 residues pruned to eliminate duplicates Z: 59 34.666 2.060 0.550 0.549 0.948 0.534 CB 1.433 59 residues pruned to eliminate duplicates Z: 66 36.325 2.043 0.684 0.558 0.908 0.677 CB 1.364 61 residues pruned to eliminate duplicates Z: 6 4.745 1.460 0.790 0.432 0.800 0.600 CA 1.089 6 residues pruned to eliminate duplicates Z: 68 34.327 2.021 0.506 0.571 0.910 0.672 CA 1.414 68 residues pruned to eliminate duplicates Z: 62 33.826 2.073 0.525 0.537 0.934 0.639 CB 1.414 62 residues pruned to eliminate duplicates Z: 61 38.729 2.076 0.613 0.590 0.950 0.667 CB 1.442 61 residues pruned to eliminate duplicates Z: 53 38.020 2.108 0.581 0.614 0.962 0.712 CA 1.477 53 residues pruned to eliminate duplicates Z: 111 50.985 2.029 0.619 0.573 0.927 0.564 CB 1.487 124 residues pruned to eliminate duplicates Z: 13 15.818 1.976 0.343 0.866 0.917 0.750 CA 1.375 13 residues pruned to eliminate duplicates Z: 28 25.345 2.131 0.640 0.542 0.889 0.667 CA 1.506 28 residues pruned to eliminate duplicates Z: 91 41.587 2.022 0.563 0.551 0.922 0.667 CB 1.431 91 residues pruned to eliminate duplicates Z: 9 13.141 2.058 0.815 0.746 0.875 0.750 CA 1.141 9 residues pruned to eliminate duplicates Z: 21 19.718 2.058 0.553 0.640 0.900 0.450 CB 1.344 21 residues pruned to eliminate duplicates Z: 61 33.098 2.062 0.568 0.544 0.917 0.550 CB 1.381 61 residues pruned to eliminate duplicates Z: 21 25.070 2.100 0.779 0.673 0.950 0.400 CB 1.346 21 residues pruned to eliminate duplicates Z: 12 21.797 2.114 0.843 0.896 1.000 0.727 CB 1.209 12 residues pruned to eliminate duplicates Z: 54 36.989 2.107 0.638 0.593 0.943 0.642 CB 1.428 54 residues pruned to eliminate duplicates Z: 12 20.791 2.081 1.070 0.693 0.818 0.455 CB 1.491 12 residues pruned to eliminate duplicates Z: 57 33.370 2.066 0.618 0.562 0.911 0.625 CB 1.379 57 residues pruned to eliminate duplicates Z: 77 37.001 2.048 0.415 0.530 0.961 0.684 CB 1.480 80 residues pruned to eliminate duplicates Z: 6 6.727 1.569 0.682 0.447 1.000 0.400 N 1.203 6 residues pruned to eliminate duplicates Z: 74 37.263 2.045 0.463 0.537 0.945 0.671 CB 1.487 74 residues pruned to eliminate duplicates Z: 23 11.048 1.773 0.564 0.337 0.955 0.545 CB 1.064 23 residues pruned to eliminate duplicates Z: 23 12.370 1.771 0.527 0.368 0.909 0.636 CB 1.236 23 residues pruned to eliminate duplicates Z: 19 8.194 1.762 0.349 0.297 0.944 0.667 CB 1.079 19 residues pruned to eliminate duplicates Z: 20 12.076 1.907 0.520 0.355 0.947 0.684 CB 1.179 20 residues pruned to eliminate duplicates Z: 84 29.140 1.931 0.455 0.448 0.892 0.614 CB 1.347 84 residues pruned to eliminate duplicates Z: 74 34.676 2.028 0.577 0.477 0.945 0.603 CB 1.375 74 residues pruned to eliminate duplicates Z: 21 10.265 1.794 0.494 0.402 0.850 0.500 CB 1.117 21 residues pruned to eliminate duplicates Z: 73 37.599 2.062 0.490 0.545 0.944 0.694 CB 1.461 73 residues pruned to eliminate duplicates Z: 62 29.090 1.976 0.464 0.454 0.951 0.656 CB 1.419 68 residues pruned to eliminate duplicates Z: 13 14.432 1.837 0.354 0.860 1.000 0.833 CA 1.231 13 residues pruned to eliminate duplicates Z: 64 36.991 2.068 0.471 0.603 0.952 0.667 CB 1.458 64 residues pruned to eliminate duplicates Z: 70 35.973 2.035 0.486 0.570 0.928 0.652 CB 1.444 81 residues pruned to eliminate duplicates Z: 68 37.910 2.042 0.496 0.604 0.955 0.657 CB 1.437 68 residues pruned to eliminate duplicates Z: 66 40.002 2.060 0.533 0.626 0.938 0.646 CA 1.486 66 residues pruned to eliminate duplicates Z: 62 41.338 2.110 0.549 0.619 0.967 0.689 CB 1.496 62 residues pruned to eliminate duplicates Z: 62 38.144 2.089 0.461 0.608 0.967 0.623 CB 1.493 62 residues pruned to eliminate duplicates Z: 61 37.954 2.101 0.437 0.616 0.950 0.667 CA 1.531 61 residues pruned to eliminate duplicates Z: 68 37.259 2.032 0.455 0.617 0.955 0.537 CB 1.443 68 residues pruned to eliminate duplicates Z: 36 28.683 2.089 0.426 0.641 0.971 0.629 CA 1.469 36 residues pruned to eliminate duplicates Z: 63 38.063 2.094 0.416 0.604 0.968 0.677 CB 1.525 63 residues pruned to eliminate duplicates Z: 62 39.104 2.112 0.516 0.610 0.918 0.672 CB 1.535 62 residues pruned to eliminate duplicates Z: 74 35.956 2.020 0.525 0.569 0.904 0.671 CB 1.414 74 residues pruned to eliminate duplicates Z: 67 40.864 2.057 0.558 0.596 0.970 0.606 CA 1.477 67 residues pruned to eliminate duplicates Z: 61 41.749 2.091 0.522 0.630 0.983 0.650 CA 1.524 61 residues pruned to eliminate duplicates Z: 62 44.415 2.105 0.671 0.611 0.984 0.639 CB 1.480 62 residues pruned to eliminate duplicates Z: 66 41.202 2.071 0.566 0.615 0.954 0.677 CB 1.482 66 residues pruned to eliminate duplicates Z: 74 40.232 2.033 0.596 0.583 0.945 0.658 CB 1.418 74 residues pruned to eliminate duplicates Z: 68 40.452 2.028 0.603 0.614 0.955 0.687 CB 1.429 68 residues pruned to eliminate duplicates Z: 62 40.262 2.108 0.516 0.626 0.984 0.705 CB 1.456 62 residues pruned to eliminate duplicates Z: 61 43.008 2.098 0.650 0.606 0.983 0.667 CB 1.475 61 residues pruned to eliminate duplicates Z: 65 42.607 2.070 0.628 0.625 0.984 0.625 CB 1.427 65 residues pruned to eliminate duplicates Z: 65 39.837 2.085 0.501 0.622 0.969 0.750 CB 1.463 65 residues pruned to eliminate duplicates Z: 60 40.912 2.105 0.537 0.632 0.966 0.661 CB 1.505 60 residues pruned to eliminate duplicates Z: 62 41.240 2.099 0.571 0.633 0.951 0.705 CB 1.486 62 residues pruned to eliminate duplicates Z: 67 40.640 2.064 0.607 0.590 0.970 0.667 CB 1.427 67 residues pruned to eliminate duplicates Z: 64 38.227 2.054 0.549 0.603 0.952 0.619 CB 1.441 64 residues pruned to eliminate duplicates Z: 63 42.364 2.093 0.604 0.624 0.984 0.742 CB 1.449 63 residues pruned to eliminate duplicates Z: 61 43.799 2.112 0.609 0.639 0.967 0.733 CB 1.512 61 residues pruned to eliminate duplicates Z: 65 42.638 2.083 0.553 0.639 0.969 0.734 CB 1.493 65 residues pruned to eliminate duplicates Z: 64 40.212 2.068 0.591 0.617 0.968 0.651 CB 1.423 64 residues pruned to eliminate duplicates Z: 60 44.248 2.103 0.657 0.625 0.966 0.610 CA 1.521 60 residues pruned to eliminate duplicates Z: 63 40.931 2.079 0.608 0.613 0.952 0.645 CB 1.467 63 residues pruned to eliminate duplicates Z: 63 39.354 2.065 0.646 0.617 0.952 0.661 CB 1.382 63 residues pruned to eliminate duplicates Z: 26 20.794 2.093 0.409 0.562 0.960 0.680 CB 1.384 26 residues pruned to eliminate duplicates Z: 61 41.514 2.079 0.725 0.633 0.933 0.683 CB 1.413 61 residues pruned to eliminate duplicates Z: 65 38.845 2.026 0.628 0.617 0.922 0.703 CB 1.430 65 residues pruned to eliminate duplicates Z: 25 27.808 2.105 0.631 0.596 0.958 0.708 CB 1.573 25 residues pruned to eliminate duplicates Z: 25 24.804 2.104 0.464 0.586 1.000 0.750 CA 1.514 25 residues pruned to eliminate duplicates Z: 64 42.959 2.050 0.670 0.611 0.984 0.746 CB 1.446 64 residues pruned to eliminate duplicates Z: 68 39.275 2.052 0.642 0.607 0.940 0.642 CB 1.367 68 residues pruned to eliminate duplicates Z: 61 41.092 2.108 0.557 0.610 0.967 0.700 CB 1.507 61 residues pruned to eliminate duplicates Z: 27 21.698 2.087 0.428 0.540 0.923 0.692 CA 1.487 27 residues pruned to eliminate duplicates Z: 26 22.084 2.078 0.452 0.582 0.960 0.800 CB 1.409 26 residues pruned to eliminate duplicates Z: 92 35.697 1.952 0.588 0.511 0.912 0.560 CB 1.309 116 residues pruned to eliminate duplicates Z: 64 38.354 2.013 0.637 0.588 0.968 0.730 CB 1.393 64 residues pruned to eliminate duplicates Z: 60 42.519 2.094 0.575 0.628 0.983 0.576 CB 1.514 60 residues pruned to eliminate duplicates Z: 28 21.948 2.042 0.502 0.561 0.926 0.704 CB 1.402 28 residues pruned to eliminate duplicates Z: 61 39.897 2.067 0.581 0.598 0.967 0.700 CB 1.485 61 residues pruned to eliminate duplicates Z: 66 41.057 2.067 0.589 0.630 0.969 0.708 CB 1.416 66 residues pruned to eliminate duplicates Z: 66 33.521 2.014 0.498 0.589 0.892 0.677 CB 1.418 66 residues pruned to eliminate duplicates Z: 18 21.725 2.127 0.527 0.744 0.882 0.647 CA 1.478 18 residues pruned to eliminate duplicates Z: 27 23.773 2.031 0.561 0.610 0.923 0.654 CB 1.435 27 residues pruned to eliminate duplicates Z: 28 21.724 2.019 0.532 0.569 0.963 0.704 CB 1.313 28 residues pruned to eliminate duplicates Z: 60 41.654 2.076 0.642 0.631 0.966 0.593 CB 1.456 60 residues pruned to eliminate duplicates Z: 26 25.532 2.059 0.589 0.600 0.920 0.680 CA 1.542 26 residues pruned to eliminate duplicates Z: 74 36.788 2.020 0.545 0.592 0.918 0.630 CB 1.377 74 residues pruned to eliminate duplicates Z: 71 40.297 2.047 0.528 0.587 0.971 0.643 CB 1.458 71 residues pruned to eliminate duplicates Z: 86 38.063 1.950 0.631 0.544 0.929 0.600 CB 1.339 86 residues pruned to eliminate duplicates Z: 12 4.491 1.401 0.106 0.336 0.909 0.364 N 1.150 12 residues pruned to eliminate duplicates Z: 9 7.022 1.741 0.244 0.394 1.000 0.875 CB 1.282 9 residues pruned to eliminate duplicates Z: 9 6.158 1.797 0.168 0.323 1.000 0.625 CB 1.261 9 residues pruned to eliminate duplicates Z: 10 5.588 1.741 0.116 0.268 1.000 0.667 CB 1.249 10 residues pruned to eliminate duplicates Z: 20 7.813 1.802 0.340 0.299 0.842 0.368 CB 1.103 20 residues pruned to eliminate duplicates Z: 8 6.882 1.890 0.509 0.246 1.000 0.429 CB 1.223 8 residues pruned to eliminate duplicates Z: 33 18.176 1.949 0.403 0.505 0.906 0.531 CB 1.290 33 residues pruned to eliminate duplicates Z: 47 22.201 2.014 0.474 0.403 0.913 0.478 CB 1.338 47 residues pruned to eliminate duplicates Z: 52 21.142 1.995 0.369 0.392 0.902 0.549 CB 1.347 52 residues pruned to eliminate duplicates Z: 38 20.692 2.030 0.434 0.500 0.865 0.622 CB 1.352 38 residues pruned to eliminate duplicates Z: 36 19.709 1.895 0.434 0.478 0.971 0.543 CB 1.291 36 residues pruned to eliminate duplicates Z: 64 30.428 2.024 0.443 0.509 0.921 0.571 CB 1.413 64 residues pruned to eliminate duplicates Z: 52 24.429 2.016 0.399 0.423 0.941 0.412 CB 1.396 52 residues pruned to eliminate duplicates Z: 45 18.874 1.939 0.407 0.382 0.909 0.432 CB 1.301 45 residues pruned to eliminate duplicates Z: 49 24.505 1.981 0.496 0.441 0.958 0.542 CB 1.323 49 residues pruned to eliminate duplicates Z: 21 22.157 1.961 0.635 0.673 1.000 0.550 CA 1.317 21 residues pruned to eliminate duplicates Z: 29 18.227 1.980 0.459 0.515 0.893 0.500 CA 1.316 29 residues pruned to eliminate duplicates Z: 24 21.669 2.041 0.606 0.591 0.870 0.522 CA 1.453 24 residues pruned to eliminate duplicates Z: 38 20.035 1.990 0.450 0.436 0.865 0.459 CB 1.410 38 residues pruned to eliminate duplicates Z: 41 25.029 1.986 0.661 0.439 0.925 0.500 CB 1.381 41 residues pruned to eliminate duplicates Z: 56 33.974 1.993 0.662 0.567 0.945 0.600 CB 1.371 56 residues pruned to eliminate duplicates Z: 43 25.861 1.967 0.590 0.475 0.952 0.548 CB 1.373 43 residues pruned to eliminate duplicates Z: 32 22.971 1.997 0.652 0.528 0.903 0.677 CB 1.347 32 residues pruned to eliminate duplicates Z: 54 36.507 2.066 0.523 0.569 0.981 0.547 CB 1.520 55 residues pruned to eliminate duplicates Z: 17 20.737 2.016 0.506 0.821 1.000 0.750 CA 1.293 17 residues pruned to eliminate duplicates Z: 20 15.461 1.927 0.438 0.516 0.947 0.421 CB 1.330 20 residues pruned to eliminate duplicates Z: 43 25.684 2.034 0.434 0.484 1.000 0.524 CA 1.381 43 residues pruned to eliminate duplicates Z: 55 26.089 1.967 0.573 0.472 0.889 0.556 CB 1.328 55 residues pruned to eliminate duplicates Z: 64 32.448 2.034 0.549 0.499 0.921 0.524 CB 1.411 64 residues pruned to eliminate duplicates Z: 43 24.276 1.991 0.436 0.501 0.929 0.571 CB 1.410 43 residues pruned to eliminate duplicates Z: 53 29.873 2.017 0.620 0.493 0.885 0.462 CB 1.443 53 residues pruned to eliminate duplicates Z: 32 23.974 2.079 0.605 0.479 0.935 0.516 CB 1.409 32 residues pruned to eliminate duplicates Z: 41 25.740 1.999 0.592 0.478 0.925 0.525 CB 1.414 41 residues pruned to eliminate duplicates Z: 53 38.156 2.084 0.631 0.587 0.962 0.615 CA 1.489 53 residues pruned to eliminate duplicates Z: 6 4.507 1.536 0.153 0.429 1.000 0.600 CA 1.226 6 residues pruned to eliminate duplicates Z: 54 33.991 2.063 0.511 0.587 0.943 0.679 CA 1.461 54 residues pruned to eliminate duplicates Z: 65 32.386 2.021 0.555 0.500 0.875 0.500 CB 1.473 65 residues pruned to eliminate duplicates Z: 54 31.547 2.065 0.428 0.590 0.925 0.472 CA 1.457 54 residues pruned to eliminate duplicates Z: 61 32.054 2.041 0.420 0.543 0.933 0.583 CA 1.467 61 residues pruned to eliminate duplicates Z: 6 4.018 1.366 1.148 0.241 1.000 0.800 CA 0.827 6 residues pruned to eliminate duplicates Z: 52 25.999 2.005 0.471 0.450 0.961 0.471 CB 1.352 52 residues pruned to eliminate duplicates Z: 53 40.343 2.108 0.623 0.603 0.962 0.577 CA 1.542 53 residues pruned to eliminate duplicates Z: 15 25.881 2.012 0.765 0.899 1.000 0.857 CA 1.392 14 residues pruned to eliminate duplicates Z: 14 24.539 2.065 0.648 0.887 1.000 0.462 CA 1.442 14 residues pruned to eliminate duplicates Z: 63 35.400 2.024 0.553 0.512 0.952 0.500 CB 1.485 63 residues pruned to eliminate duplicates Z: 54 32.663 2.067 0.548 0.582 0.906 0.547 CA 1.431 54 residues pruned to eliminate duplicates Z: 62 32.119 2.027 0.563 0.494 0.885 0.361 CA 1.475 62 residues pruned to eliminate duplicates Z: 59 31.058 2.035 0.533 0.524 0.897 0.448 CB 1.424 59 residues pruned to eliminate duplicates Z: 56 33.717 2.063 0.505 0.552 0.945 0.491 CB 1.472 56 residues pruned to eliminate duplicates Z: 48 35.897 2.117 0.581 0.554 0.979 0.447 CB 1.517 49 residues pruned to eliminate duplicates Z: 15 24.599 1.932 0.989 0.841 0.929 0.286 CB 1.373 15 residues pruned to eliminate duplicates Z: 13 32.968 2.156 1.042 0.925 1.000 0.500 CB 1.517 13 residues pruned to eliminate duplicates Z: 16 27.298 1.946 0.985 0.915 0.933 0.533 CA 1.382 16 residues pruned to eliminate duplicates Z: 48 28.641 1.991 0.729 0.543 0.872 0.553 CB 1.333 48 residues pruned to eliminate duplicates Z: 14 10.379 1.665 0.179 0.604 1.000 0.769 CB 1.329 14 residues pruned to eliminate duplicates Z: 14 12.563 1.726 0.479 0.673 0.923 0.692 CB 1.261 14 residues pruned to eliminate duplicates Z: 13 12.854 1.768 0.472 0.705 0.917 0.750 CB 1.292 13 residues pruned to eliminate duplicates Z: 13 9.278 1.667 0.423 0.499 0.917 0.583 CA 1.233 13 residues pruned to eliminate duplicates Z: 12 15.929 1.826 0.640 0.713 1.000 0.818 CA 1.323 12 residues pruned to eliminate duplicates Z: 14 15.182 1.750 0.650 0.675 0.923 0.846 CA 1.345 14 residues pruned to eliminate duplicates Z: 22 12.645 1.711 0.550 0.461 0.905 0.762 CB 1.196 22 residues pruned to eliminate duplicates Z: 21 16.350 1.855 0.615 0.465 0.950 0.750 CB 1.332 23 residues pruned to eliminate duplicates Z: 8 14.235 1.779 0.766 0.791 1.000 0.571 CA 1.327 8 residues pruned to eliminate duplicates Z: 20 15.944 1.793 0.541 0.512 1.000 0.632 CA 1.309 20 residues pruned to eliminate duplicates Z: 20 14.291 1.827 0.476 0.510 0.947 0.632 CA 1.271 20 residues pruned to eliminate duplicates Z: 19 16.446 1.800 0.514 0.600 1.000 0.833 CA 1.292 19 residues pruned to eliminate duplicates Z: 23 14.501 1.784 0.480 0.509 0.909 0.682 CB 1.277 23 residues pruned to eliminate duplicates Z: 21 16.460 1.828 0.583 0.499 0.950 0.650 CB 1.341 21 residues pruned to eliminate duplicates Z: 24 17.523 1.785 0.820 0.490 0.913 0.609 CA 1.244 22 residues pruned to eliminate duplicates Z: 7 7.249 1.612 0.590 0.645 0.833 0.500 CB 1.211 6 residues pruned to eliminate duplicates Z: 6 6.982 1.819 0.410 0.607 1.000 0.400 CB 1.100 6 residues pruned to eliminate duplicates Z: 13 6.128 1.721 0.293 0.326 0.917 0.417 CB 1.050 13 residues pruned to eliminate duplicates Z: 9 9.610 1.700 0.639 0.514 1.000 0.125 CB 1.202 10 residues pruned to eliminate duplicates 918 residues left after pruning, divided into chains as follows: A: 11 B: 14 C: 9 D: 80 E: 7 F: 19 G: 153 H: 64 I: 96 J: 181 K: 69 L: 11 M: 119 N: 85 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 49.35 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 2 used as input for final density modification = 0.300, Contrast = 0.381, Connect. = 0.690 for dens.mod. cycle 1 = 0.300, Contrast = 0.450, Connect. = 0.728 for dens.mod. cycle 2 = 0.300, Contrast = 0.526, Connect. = 0.755 for dens.mod. cycle 3 = 0.300, Contrast = 0.535, Connect. = 0.759 for dens.mod. cycle 4 = 0.300, Contrast = 0.544, Connect. = 0.762 for dens.mod. cycle 5 = 0.300, Contrast = 0.547, Connect. = 0.763 for dens.mod. cycle 6 = 0.300, Contrast = 0.551, Connect. = 0.765 for dens.mod. cycle 7 = 0.300, Contrast = 0.552, Connect. = 0.766 for dens.mod. cycle 8 = 0.300, Contrast = 0.554, Connect. = 0.767 for dens.mod. cycle 9 = 0.300, Contrast = 0.555, Connect. = 0.767 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 4.60 - 3.63 - 3.16 - 2.87 - 2.66 - 2.50 - 2.37 - 2.27 - 2.18 - 2.10 0.746 0.791 0.759 0.734 0.726 0.721 0.708 0.680 0.634 0.608 0.955 0.967 0.944 0.926 0.907 0.887 0.873 0.842 0.786 0.754 N 7020 7073 7127 6950 7109 7146 7244 6766 7227 6466 Estimated mean FOM = 0.711 Pseudo-free CC = 73.66 % TimeTaking 350.6