++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 21:09:49 on 14 Sep 2019 + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Please cite: I. Uson & G.M. Sheldrick (2018), "An introduction to experimental phasing of macromolecules illustrated by SHELX; new autotracing features" Acta Cryst. D74, 106-116 (Open Access) if SHELXE proves useful. Command line parameters: ./2anu-2.3-parrot-mrncs/2anu-2.3-parrot-mrncs.phi -a -n -t20 Cell and symmetry only from ./2anu-2.3-parrot-mrncs/2anu-2.3-parrot-mrncs.ins Phases from ./2anu-2.3-parrot-mrncs/2anu-2.3-parrot-mrncs.phi Native data from ./2anu-2.3-parrot-mrncs/2anu-2.3-parrot-mrncs.hkl Listing output to ./2anu-2.3-parrot-mrncs/2anu-2.3-parrot-mrncs.lst Phases output to ./2anu-2.3-parrot-mrncs/2anu-2.3-parrot-mrncs.phs Poly-Ala trace output to ./2anu-2.3-parrot-mrncs/2anu-2.3-parrot-mrncs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: H 3 Allowed origin shift code: 8 78583 Reflections read from file ./2anu-2.3-parrot-mrncs/2anu-2.3-parrot-mrncs.phi 78583 Reflections read from file ./2anu-2.3-parrot-mrncs/2anu-2.3-parrot-mrncs.hkl 78583 Unique data, highest resolution = 2.300 Angstroms Anisotropic scaling: intensities multiplied by -0.000021h^2 -0.000021k^2 +0.000005l^2 +0.000000kl +0.000000hl -0.000021hk 44 Reflections with d > 2.500 and 0 in range 2.500 > d > 2.300 added Density sharpening factor set to 0.30 Fourier grid = 256 x 256 x 167 0.000 <= z <= 0.333 92 Point spherical net set up with radius 2.42A 24 Extra Fourier layers will be generated <|E^2-1|> = 0.698 = 0.300, Contrast = 0.515, Connect. = 0.743 for dens.mod. cycle 1 = 0.300, Contrast = 0.603, Connect. = 0.750 for dens.mod. cycle 2 = 0.300, Contrast = 0.742, Connect. = 0.776 for dens.mod. cycle 3 = 0.300, Contrast = 0.781, Connect. = 0.787 for dens.mod. cycle 4 = 0.300, Contrast = 0.800, Connect. = 0.793 for dens.mod. cycle 5 = 0.300, Contrast = 0.809, Connect. = 0.797 for dens.mod. cycle 6 = 0.300, Contrast = 0.813, Connect. = 0.800 for dens.mod. cycle 7 = 0.300, Contrast = 0.815, Connect. = 0.801 for dens.mod. cycle 8 = 0.300, Contrast = 0.816, Connect. = 0.802 for dens.mod. cycle 9 = 0.300, Contrast = 0.816, Connect. = 0.803 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 5205 peaks > 0.5 sigma used to seed fragment search Space for about 2008 unique residues taking solvent into account 1382 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 7 5.582 1.838 0.563 0.236 0.667 0.500 CA 1.616 B: 20 19.194 2.025 0.673 0.436 0.895 0.474 CB 1.552 C: 13 22.862 2.061 0.873 0.851 1.000 0.917 CA 1.265 D: 12 28.794 2.075 1.129 0.881 1.000 0.636 CB 1.422 13 residues pruned to eliminate duplicates E: 13 25.846 2.067 1.044 0.809 1.000 0.750 CA 1.349 F: 13 28.672 2.124 0.923 0.884 1.000 1.000 CA 1.465 13 residues pruned to eliminate duplicates G: 12 22.860 2.102 0.774 0.891 1.000 0.909 CA 1.329 H: 14 23.679 1.904 0.928 0.804 1.000 0.769 CA 1.372 I: 16 22.554 1.827 1.256 0.779 0.933 0.733 CB 1.183 15 residues pruned to eliminate duplicates J: 14 23.074 2.020 0.868 0.799 1.000 0.846 CA 1.306 14 residues pruned to eliminate duplicates K: 12 28.385 2.070 1.081 0.893 1.000 0.909 CA 1.426 L: 13 19.817 1.941 0.809 0.853 1.000 0.917 CA 1.204 13 residues pruned to eliminate duplicates M: 12 20.750 2.004 0.860 0.881 1.000 0.818 CB 1.216 N: 13 26.604 2.135 0.928 0.839 1.000 0.833 CA 1.393 13 residues pruned to eliminate duplicates O: 42 42.779 2.101 1.211 0.521 0.951 0.390 CB 1.481 14 residues pruned to eliminate duplicates P: 24 33.479 2.039 0.795 0.867 0.957 0.783 CA 1.459 Q: 14 20.982 2.014 0.791 0.834 0.923 0.846 CA 1.310 14 residues pruned to eliminate duplicates R: 23 25.308 2.014 0.412 0.891 1.000 0.864 CA 1.364 S: 23 31.593 1.993 0.706 0.871 1.000 0.727 CA 1.446 23 residues pruned to eliminate duplicates T: 15 28.393 1.836 1.421 0.860 1.000 0.571 CB 1.256 15 residues pruned to eliminate duplicates U: 11 33.509 2.206 1.231 0.915 0.900 0.700 CB 1.691 11 residues pruned to eliminate duplicates V: 13 24.142 2.078 0.838 0.831 1.000 0.917 CA 1.371 13 residues pruned to eliminate duplicates W: 42 33.898 1.948 0.842 0.617 0.951 0.585 CA 1.388 X: 23 39.330 2.039 0.997 0.880 1.000 0.727 CB 1.492 23 residues pruned to eliminate duplicates Y: 13 25.854 2.045 0.953 0.879 1.000 0.917 CA 1.355 12 residues pruned to eliminate duplicates Z: 13 20.708 1.908 0.935 0.859 1.000 0.833 CA 1.191 13 residues pruned to eliminate duplicates Z: 10 17.671 1.954 0.873 0.911 1.000 1.000 CB 1.141 Z: 22 22.532 1.955 0.369 0.878 0.952 0.810 CA 1.399 22 residues pruned to eliminate duplicates Z: 24 38.266 2.006 0.944 0.889 1.000 0.696 CB 1.473 24 residues pruned to eliminate duplicates Z: 14 26.082 2.019 1.027 0.819 1.000 0.692 CA 1.339 13 residues pruned to eliminate duplicates Z: 18 16.050 1.977 0.964 0.484 0.882 0.294 CB 1.155 18 residues pruned to eliminate duplicates Z: 23 26.322 1.983 0.480 0.852 0.955 0.818 CA 1.482 Z: 12 19.183 1.978 0.748 0.879 1.000 0.909 CA 1.213 12 residues pruned to eliminate duplicates Z: 13 33.657 2.147 1.042 0.883 1.000 0.750 CA 1.603 13 residues pruned to eliminate duplicates Z: 24 36.403 2.068 1.304 0.637 0.913 0.435 CB 1.535 12 residues pruned to eliminate duplicates Z: 12 24.019 1.991 0.814 0.869 1.000 0.636 CA 1.465 Z: 12 23.458 2.050 0.830 0.851 1.000 0.818 CA 1.396 12 residues pruned to eliminate duplicates Z: 41 32.187 1.979 0.776 0.591 0.975 0.775 CB 1.361 Z: 24 34.715 2.034 0.776 0.849 1.000 0.696 CA 1.486 24 residues pruned to eliminate duplicates Z: 12 25.090 2.056 1.016 0.854 1.000 0.818 CA 1.348 12 residues pruned to eliminate duplicates Z: 12 21.138 1.907 1.162 0.830 0.909 0.545 CB 1.279 10 residues pruned to eliminate duplicates Z: 15 18.657 1.834 1.045 0.828 1.000 0.929 CA 1.001 15 residues pruned to eliminate duplicates Z: 12 27.113 2.109 1.023 0.892 1.000 1.000 CA 1.376 12 residues pruned to eliminate duplicates Z: 40 27.624 1.947 0.672 0.677 0.872 0.667 CB 1.324 26 residues pruned to eliminate duplicates Z: 11 15.596 1.951 0.724 0.905 1.000 0.900 CB 1.044 Z: 11 11.619 2.014 0.750 0.902 0.900 0.800 CB 0.826 Z: 24 33.532 1.988 0.824 0.899 0.957 0.783 CA 1.440 23 residues pruned to eliminate duplicates Z: 24 29.537 1.996 0.591 0.846 1.000 0.739 CA 1.442 24 residues pruned to eliminate duplicates Z: 12 17.759 1.973 1.099 0.874 0.909 0.818 CB 1.035 11 residues pruned to eliminate duplicates Z: 24 31.095 2.007 0.712 0.826 0.957 0.696 CA 1.488 24 residues pruned to eliminate duplicates Z: 23 37.127 2.010 1.011 0.872 0.955 0.727 CB 1.495 23 residues pruned to eliminate duplicates Z: 6 4.534 1.547 0.425 0.769 1.000 0.800 CA 0.725 6 residues pruned to eliminate duplicates Z: 13 28.812 1.966 1.211 0.856 1.000 0.917 CA 1.412 13 residues pruned to eliminate duplicates Z: 13 26.456 1.930 1.113 0.876 1.000 0.750 CB 1.361 13 residues pruned to eliminate duplicates Z: 29 14.299 1.802 0.644 0.376 0.857 0.536 CB 1.215 Z: 11 22.587 2.005 1.335 0.926 1.000 0.900 CB 1.070 Z: 7 13.208 1.694 1.141 0.830 0.833 0.500 CA 1.342 Z: 46 32.118 1.963 0.752 0.576 0.933 0.667 CB 1.386 41 residues pruned to eliminate duplicates Z: 25 16.934 1.859 0.816 0.452 0.875 0.458 CB 1.229 20 residues pruned to eliminate duplicates Z: 6 8.300 1.751 0.909 0.566 0.800 0.600 N 1.302 Z: 22 23.577 1.988 0.367 0.899 1.000 0.905 CA 1.354 22 residues pruned to eliminate duplicates Z: 23 38.053 2.019 0.960 0.896 0.955 0.682 CB 1.539 23 residues pruned to eliminate duplicates Z: 18 13.033 1.927 0.795 0.338 0.882 0.412 CB 1.235 5 residues pruned to eliminate duplicates Z: 23 33.742 2.056 0.700 0.885 1.000 0.818 CA 1.486 23 residues pruned to eliminate duplicates Z: 13 27.415 2.050 1.203 0.864 1.000 0.583 CA 1.284 13 residues pruned to eliminate duplicates Z: 11 15.806 2.003 0.706 0.910 1.000 0.700 CB 1.038 11 residues pruned to eliminate duplicates Z: 12 16.878 1.865 0.883 0.896 0.909 0.909 CB 1.142 Z: 11 16.325 1.958 0.981 0.921 1.000 0.900 CB 0.937 11 residues pruned to eliminate duplicates Z: 13 23.713 1.926 0.934 0.882 1.000 0.833 CB 1.329 Z: 48 28.568 1.945 0.837 0.478 0.894 0.596 CB 1.334 43 residues pruned to eliminate duplicates Z: 24 37.142 2.050 0.910 0.851 0.957 0.696 CA 1.530 38 residues pruned to eliminate duplicates Z: 13 26.121 2.116 0.884 0.805 1.000 0.750 CA 1.449 13 residues pruned to eliminate duplicates Z: 43 26.417 1.946 0.844 0.516 0.905 0.548 CB 1.236 25 residues pruned to eliminate duplicates Z: 14 11.433 1.661 0.229 0.835 1.000 0.769 CB 1.163 Z: 24 37.303 1.997 0.995 0.885 1.000 0.739 CA 1.410 24 residues pruned to eliminate duplicates Z: 12 29.874 2.068 1.129 0.916 1.000 0.909 CA 1.445 12 residues pruned to eliminate duplicates Z: 12 23.940 2.066 0.992 0.894 1.000 0.909 CA 1.258 12 residues pruned to eliminate duplicates Z: 16 19.328 1.828 0.786 0.802 0.933 0.867 CA 1.258 15 residues pruned to eliminate duplicates Z: 22 40.560 2.079 1.055 0.890 1.000 0.667 CB 1.489 23 residues pruned to eliminate duplicates Z: 11 16.024 1.996 1.053 0.920 0.900 0.700 CB 0.967 11 residues pruned to eliminate duplicates Z: 7 16.903 1.859 1.069 0.752 1.000 0.667 CA 1.433 7 residues pruned to eliminate duplicates Z: 14 27.637 2.021 1.064 0.864 1.000 0.692 CA 1.347 14 residues pruned to eliminate duplicates Z: 22 23.241 2.006 0.422 0.863 0.905 0.762 CB 1.442 22 residues pruned to eliminate duplicates Z: 14 19.529 1.892 1.026 0.853 0.923 0.923 CA 1.132 14 residues pruned to eliminate duplicates Z: 7 15.763 1.798 0.960 0.772 1.000 0.500 CB 1.436 Z: 16 22.467 1.795 1.007 0.813 0.933 0.667 CA 1.314 16 residues pruned to eliminate duplicates Z: 11 16.288 1.952 0.947 0.859 1.000 0.700 CB 0.997 11 residues pruned to eliminate duplicates Z: 14 23.550 1.952 0.841 0.835 1.000 0.769 CB 1.361 14 residues pruned to eliminate duplicates Z: 19 16.271 1.882 0.663 0.371 0.944 0.389 CB 1.490 Z: 12 16.459 1.890 0.915 0.889 1.000 0.818 CB 0.987 12 residues pruned to eliminate duplicates Z: 12 32.237 2.087 1.214 0.905 1.000 0.818 CA 1.497 13 residues pruned to eliminate duplicates Z: 23 34.704 1.978 0.892 0.835 1.000 0.545 CB 1.481 23 residues pruned to eliminate duplicates Z: 23 35.293 2.009 0.906 0.891 0.955 0.773 CB 1.480 Z: 48 24.240 1.895 0.477 0.596 0.851 0.574 CB 1.353 26 residues pruned to eliminate duplicates Z: 23 29.053 2.037 0.598 0.873 0.955 0.818 CA 1.452 23 residues pruned to eliminate duplicates Z: 14 24.032 1.919 0.980 0.882 0.923 0.846 CA 1.376 13 residues pruned to eliminate duplicates Z: 23 36.089 2.031 0.900 0.888 0.955 0.545 CA 1.505 23 residues pruned to eliminate duplicates Z: 13 18.426 1.836 0.809 0.858 0.917 0.750 CB 1.286 Z: 24 37.138 2.050 0.825 0.856 1.000 0.565 CA 1.526 24 residues pruned to eliminate duplicates Z: 23 30.657 1.988 0.928 0.831 0.909 0.636 CB 1.410 23 residues pruned to eliminate duplicates Z: 12 22.862 2.035 0.826 0.862 1.000 0.909 CA 1.362 12 residues pruned to eliminate duplicates Z: 21 27.028 1.895 0.625 0.898 0.950 0.850 CB 1.477 Z: 46 27.929 1.867 0.748 0.555 0.911 0.622 CB 1.326 Z: 27 19.094 1.970 0.783 0.357 0.808 0.462 CB 1.541 25 residues pruned to eliminate duplicates Z: 24 23.623 1.931 0.434 0.873 1.000 0.826 CA 1.296 24 residues pruned to eliminate duplicates Z: 12 20.846 1.975 0.942 0.851 1.000 0.818 CB 1.212 12 residues pruned to eliminate duplicates Z: 38 28.523 1.910 0.705 0.668 1.000 0.649 CB 1.232 23 residues pruned to eliminate duplicates Z: 24 27.819 1.934 0.801 0.822 0.957 0.652 CB 1.317 21 residues pruned to eliminate duplicates Z: 19 16.509 1.891 0.837 0.381 0.889 0.556 CB 1.430 Z: 13 23.671 1.942 0.981 0.918 0.917 0.750 CA 1.367 14 residues pruned to eliminate duplicates Z: 16 19.971 2.045 1.013 0.446 0.867 0.533 CB 1.527 7 residues pruned to eliminate duplicates Z: 22 32.286 2.058 0.730 0.893 0.952 0.714 CB 1.492 22 residues pruned to eliminate duplicates Z: 13 21.849 2.034 0.727 0.831 1.000 0.833 CA 1.349 13 residues pruned to eliminate duplicates Z: 23 35.998 2.032 1.063 0.850 0.955 0.682 CB 1.421 23 residues pruned to eliminate duplicates Z: 44 34.876 1.967 0.917 0.685 0.953 0.628 CB 1.248 38 residues pruned to eliminate duplicates Z: 12 23.875 1.995 1.143 0.894 0.818 0.545 CB 1.476 12 residues pruned to eliminate duplicates Z: 24 27.710 1.954 0.559 0.896 1.000 0.870 CA 1.359 24 residues pruned to eliminate duplicates Z: 42 36.445 2.043 0.864 0.504 0.927 0.585 CB 1.607 19 residues pruned to eliminate duplicates Z: 23 31.218 1.929 0.886 0.865 1.000 0.682 CB 1.340 23 residues pruned to eliminate duplicates Z: 24 38.775 2.044 0.941 0.883 1.000 0.696 CB 1.473 24 residues pruned to eliminate duplicates Z: 23 33.068 2.015 0.780 0.866 1.000 0.818 CB 1.439 23 residues pruned to eliminate duplicates Z: 34 38.386 2.017 0.810 0.737 0.970 0.667 CB 1.525 32 residues pruned to eliminate duplicates Z: 26 29.147 2.037 0.547 0.820 0.960 0.920 CA 1.460 26 residues pruned to eliminate duplicates Z: 12 26.669 2.094 0.946 0.894 1.000 1.000 CA 1.416 12 residues pruned to eliminate duplicates Z: 24 35.860 2.041 0.906 0.869 0.957 0.609 CB 1.469 24 residues pruned to eliminate duplicates Z: 32 21.654 1.950 0.970 0.558 0.871 0.581 CB 1.099 11 residues pruned to eliminate duplicates Z: 13 18.947 1.883 0.709 0.877 1.000 0.833 CB 1.234 13 residues pruned to eliminate duplicates Z: 13 21.740 1.916 0.909 0.869 0.917 0.750 CA 1.368 13 residues pruned to eliminate duplicates Z: 23 34.625 2.031 0.789 0.886 1.000 0.864 CA 1.465 23 residues pruned to eliminate duplicates Z: 23 22.982 1.965 0.429 0.838 0.955 0.773 CA 1.367 23 residues pruned to eliminate duplicates Z: 23 35.381 2.045 0.804 0.883 1.000 0.773 CA 1.478 23 residues pruned to eliminate duplicates Z: 15 15.341 1.748 0.477 0.806 1.000 0.857 CA 1.216 15 residues pruned to eliminate duplicates Z: 55 28.386 1.833 0.703 0.597 0.870 0.537 CB 1.296 36 residues pruned to eliminate duplicates Z: 41 27.690 1.884 0.669 0.578 0.925 0.725 CB 1.396 41 residues pruned to eliminate duplicates Z: 24 37.569 2.011 1.045 0.855 0.957 0.435 CB 1.470 24 residues pruned to eliminate duplicates Z: 14 25.938 1.947 1.028 0.867 1.000 0.769 CA 1.333 14 residues pruned to eliminate duplicates Z: 13 12.717 1.870 0.459 0.780 0.917 0.833 CA 1.147 13 residues pruned to eliminate duplicates Z: 14 23.582 1.907 1.087 0.772 1.000 0.615 CB 1.292 13 residues pruned to eliminate duplicates Z: 13 27.096 2.003 1.026 0.855 1.000 1.000 CA 1.423 13 residues pruned to eliminate duplicates Z: 26 13.574 1.835 0.392 0.386 0.840 0.480 CA 1.428 Z: 56 31.614 1.932 0.691 0.593 0.927 0.691 CB 1.287 56 residues pruned to eliminate duplicates Z: 12 18.371 1.821 1.014 0.927 1.000 1.000 CB 1.058 10 residues pruned to eliminate duplicates Z: 7 4.711 1.635 0.188 0.440 0.833 0.500 N 1.264 Z: 24 30.411 2.001 0.660 0.876 0.957 0.870 CA 1.450 24 residues pruned to eliminate duplicates Z: 57 36.614 1.977 0.789 0.567 0.946 0.589 CB 1.370 14 residues pruned to eliminate duplicates Z: 23 38.494 2.051 0.931 0.872 1.000 0.682 CA 1.511 23 residues pruned to eliminate duplicates Z: 49 28.027 1.919 0.513 0.576 0.917 0.604 CB 1.412 49 residues pruned to eliminate duplicates Z: 24 37.910 1.942 1.052 0.882 1.000 0.565 CB 1.435 24 residues pruned to eliminate duplicates Z: 23 33.624 2.031 0.793 0.880 0.955 0.818 CA 1.495 23 residues pruned to eliminate duplicates Z: 13 27.328 2.003 0.988 0.865 1.000 0.833 CA 1.451 13 residues pruned to eliminate duplicates Z: 23 37.834 2.010 1.019 0.883 0.955 0.591 CB 1.506 23 residues pruned to eliminate duplicates Z: 12 19.404 1.983 0.596 0.847 0.909 0.909 CB 1.509 12 residues pruned to eliminate duplicates Z: 32 20.911 1.911 1.039 0.528 0.871 0.613 CB 1.077 32 residues pruned to eliminate duplicates Z: 43 25.778 1.900 0.710 0.504 0.857 0.595 CA 1.422 43 residues pruned to eliminate duplicates Z: 23 26.323 1.941 0.791 0.855 0.909 0.455 CB 1.310 23 residues pruned to eliminate duplicates Z: 43 19.955 1.863 0.632 0.411 0.929 0.548 CB 1.197 Z: 23 27.047 1.903 0.531 0.889 1.000 0.864 CB 1.424 23 residues pruned to eliminate duplicates Z: 42 28.021 1.961 0.813 0.628 0.927 0.707 CB 1.177 35 residues pruned to eliminate duplicates Z: 11 11.849 1.522 0.853 0.802 0.900 0.600 CA 1.134 Z: 24 39.559 2.063 0.903 0.878 1.000 0.739 CB 1.525 24 residues pruned to eliminate duplicates Z: 23 31.650 2.012 0.753 0.861 0.955 0.727 CA 1.472 30 residues pruned to eliminate duplicates Z: 34 35.655 2.042 0.775 0.721 1.000 0.727 CB 1.403 62 residues pruned to eliminate duplicates Z: 50 32.019 1.948 0.736 0.574 0.939 0.653 CB 1.342 50 residues pruned to eliminate duplicates Z: 24 32.315 2.034 0.719 0.850 1.000 0.783 CA 1.427 24 residues pruned to eliminate duplicates Z: 15 21.805 1.816 0.746 0.926 1.000 0.714 CA 1.290 15 residues pruned to eliminate duplicates Z: 18 10.511 1.722 0.271 0.656 0.941 0.765 CB 1.071 Z: 24 25.390 1.957 0.545 0.865 1.000 0.913 CA 1.282 24 residues pruned to eliminate duplicates Z: 12 22.062 1.947 1.261 0.935 1.000 1.000 CB 1.053 11 residues pruned to eliminate duplicates Z: 24 31.514 1.931 0.842 0.836 0.957 0.565 CA 1.446 24 residues pruned to eliminate duplicates Z: 23 34.478 2.020 0.846 0.873 1.000 0.682 CB 1.437 23 residues pruned to eliminate duplicates Z: 15 14.521 1.815 0.949 0.454 0.929 0.429 CA 1.238 15 residues pruned to eliminate duplicates Z: 24 35.667 2.025 0.898 0.872 0.957 0.826 CB 1.474 24 residues pruned to eliminate duplicates Z: 13 14.932 1.853 1.123 0.527 0.750 0.500 CA 1.423 Z: 10 13.452 1.730 0.943 0.858 0.889 0.889 CA 1.105 11 residues pruned to eliminate duplicates Z: 24 36.154 2.043 0.886 0.873 1.000 0.870 CA 1.424 24 residues pruned to eliminate duplicates Z: 42 39.337 2.058 1.040 0.526 0.951 0.439 CB 1.499 43 residues pruned to eliminate duplicates Z: 22 23.485 1.972 0.658 0.840 0.857 0.571 CB 1.365 22 residues pruned to eliminate duplicates Z: 42 30.520 1.948 0.746 0.610 0.951 0.683 CB 1.327 13 residues pruned to eliminate duplicates Z: 50 34.296 1.962 0.820 0.540 0.939 0.653 CB 1.405 50 residues pruned to eliminate duplicates Z: 12 17.968 1.758 0.847 0.863 1.000 0.909 CA 1.225 12 residues pruned to eliminate duplicates Z: 11 14.241 1.949 0.654 0.921 1.000 0.900 CB 0.983 10 residues pruned to eliminate duplicates Z: 24 39.484 2.014 1.045 0.860 1.000 0.739 CA 1.470 24 residues pruned to eliminate duplicates Z: 12 16.529 1.898 0.406 0.867 1.000 1.000 CA 1.367 12 residues pruned to eliminate duplicates Z: 49 30.754 1.972 0.633 0.564 0.938 0.583 CB 1.382 49 residues pruned to eliminate duplicates Z: 40 39.917 2.018 1.190 0.523 0.949 0.538 CB 1.490 42 residues pruned to eliminate duplicates Z: 42 34.923 1.978 0.927 0.561 0.927 0.707 CA 1.455 42 residues pruned to eliminate duplicates Z: 28 19.921 1.888 0.831 0.674 0.852 0.593 CB 1.109 28 residues pruned to eliminate duplicates Z: 8 11.254 1.644 0.755 0.884 1.000 0.714 CB 1.065 8 residues pruned to eliminate duplicates Z: 45 22.067 1.857 0.706 0.408 0.909 0.523 CB 1.272 44 residues pruned to eliminate duplicates Z: 22 25.456 1.959 0.458 0.883 1.000 1.000 CA 1.406 22 residues pruned to eliminate duplicates Z: 24 34.094 2.100 1.051 0.654 0.913 0.565 CA 1.567 24 residues pruned to eliminate duplicates Z: 84 42.237 1.950 0.763 0.588 0.952 0.675 CB 1.302 66 residues pruned to eliminate duplicates Z: 11 7.332 1.721 0.863 0.280 0.700 0.300 CB 1.324 Z: 12 19.894 1.910 0.884 0.908 0.909 0.455 CB 1.302 12 residues pruned to eliminate duplicates Z: 38 20.438 1.819 0.748 0.449 0.865 0.514 CB 1.288 29 residues pruned to eliminate duplicates Z: 41 40.935 2.086 1.092 0.538 0.950 0.425 CB 1.504 41 residues pruned to eliminate duplicates Z: 23 37.707 2.058 0.854 0.890 1.000 0.636 CB 1.515 23 residues pruned to eliminate duplicates Z: 12 31.544 2.144 1.094 0.878 1.000 0.545 CB 1.537 12 residues pruned to eliminate duplicates Z: 24 27.864 1.885 0.669 0.874 1.000 0.826 CB 1.344 24 residues pruned to eliminate duplicates Z: 6 3.014 1.368 0.914 0.306 0.600 0.400 N 1.065 Z: 43 26.115 1.882 0.616 0.557 0.952 0.643 CB 1.317 Z: 24 33.084 2.069 0.576 0.860 1.000 0.870 CA 1.555 24 residues pruned to eliminate duplicates Z: 13 19.848 1.934 0.818 0.835 0.917 0.750 CA 1.332 13 residues pruned to eliminate duplicates Z: 26 15.506 1.876 0.599 0.407 0.920 0.600 CB 1.238 26 residues pruned to eliminate duplicates Z: 22 22.640 1.987 0.303 0.890 1.000 0.952 CA 1.373 22 residues pruned to eliminate duplicates Z: 41 36.082 2.112 0.950 0.537 0.925 0.475 CB 1.444 35 residues pruned to eliminate duplicates Z: 33 30.982 2.010 0.979 0.503 0.906 0.500 CB 1.516 33 residues pruned to eliminate duplicates Z: 12 19.975 1.977 0.857 0.889 1.000 0.818 CB 1.181 12 residues pruned to eliminate duplicates Z: 39 37.783 2.006 1.013 0.524 0.974 0.342 CB 1.521 31 residues pruned to eliminate duplicates Z: 44 23.714 1.875 0.430 0.632 0.884 0.674 CB 1.349 32 residues pruned to eliminate duplicates Z: 12 13.846 1.928 0.892 0.885 0.909 0.727 CB 0.908 11 residues pruned to eliminate duplicates Z: 6 3.807 1.673 0.660 0.350 0.600 0.400 CA 1.202 Z: 9 9.270 1.897 0.553 0.547 0.750 0.500 CA 1.417 9 residues pruned to eliminate duplicates Z: 12 24.327 1.980 0.900 0.848 1.000 0.727 CA 1.446 14 residues pruned to eliminate duplicates Z: 11 16.077 1.916 0.791 0.907 1.000 0.800 CB 1.053 11 residues pruned to eliminate duplicates Z: 12 20.345 1.988 1.044 0.854 1.000 0.818 CB 1.114 12 residues pruned to eliminate duplicates Z: 23 31.858 2.032 0.690 0.885 0.955 0.864 CA 1.496 23 residues pruned to eliminate duplicates Z: 14 26.549 1.937 1.059 0.818 1.000 0.769 CA 1.401 14 residues pruned to eliminate duplicates Z: 24 31.090 1.984 0.819 0.852 0.913 0.652 CB 1.455 24 residues pruned to eliminate duplicates Z: 12 19.512 1.966 0.562 0.839 1.000 0.818 CA 1.430 12 residues pruned to eliminate duplicates Z: 22 28.773 2.013 0.612 0.895 0.952 0.952 CA 1.456 23 residues pruned to eliminate duplicates Z: 42 34.957 2.099 1.063 0.506 0.829 0.488 CB 1.511 47 residues pruned to eliminate duplicates Z: 12 19.934 1.865 0.768 0.875 1.000 0.818 CA 1.326 12 residues pruned to eliminate duplicates Z: 48 24.534 1.825 0.691 0.524 0.894 0.702 CB 1.268 48 residues pruned to eliminate duplicates Z: 14 13.993 1.841 0.724 0.641 0.846 0.692 CB 1.266 Z: 21 34.540 1.999 1.047 0.872 1.000 0.650 CA 1.376 21 residues pruned to eliminate duplicates Z: 42 28.889 1.941 1.045 0.492 0.927 0.634 CB 1.237 13 residues pruned to eliminate duplicates Z: 14 15.319 1.574 0.697 0.846 0.923 0.615 CA 1.280 14 residues pruned to eliminate duplicates Z: 46 29.715 1.911 0.613 0.604 0.978 0.711 CB 1.332 59 residues pruned to eliminate duplicates Z: 41 41.164 2.099 0.987 0.546 0.950 0.500 CB 1.569 41 residues pruned to eliminate duplicates Z: 22 40.237 2.087 1.043 0.868 1.000 0.667 CB 1.505 22 residues pruned to eliminate duplicates Z: 24 31.086 1.952 0.750 0.858 1.000 0.652 CB 1.396 24 residues pruned to eliminate duplicates Z: 13 15.821 1.853 0.695 0.857 1.000 0.750 CB 1.072 13 residues pruned to eliminate duplicates Z: 57 38.213 1.919 0.758 0.687 0.946 0.696 CB 1.348 60 residues pruned to eliminate duplicates Z: 7 12.510 1.831 0.843 0.725 0.833 0.667 CA 1.483 7 residues pruned to eliminate duplicates Z: 12 19.855 1.885 0.707 0.897 0.909 0.818 CA 1.466 12 residues pruned to eliminate duplicates Z: 42 31.630 1.930 0.866 0.486 0.927 0.585 CB 1.500 32 residues pruned to eliminate duplicates Z: 12 14.548 1.953 1.009 0.411 0.909 0.727 CA 1.350 12 residues pruned to eliminate duplicates Z: 50 37.840 1.981 0.853 0.595 0.959 0.755 CB 1.402 50 residues pruned to eliminate duplicates Z: 22 36.722 2.077 1.026 0.885 0.952 0.857 CB 1.444 22 residues pruned to eliminate duplicates Z: 19 35.749 2.065 0.923 0.924 0.944 0.778 CA 1.577 19 residues pruned to eliminate duplicates Z: 12 21.959 1.876 1.478 0.872 1.000 1.000 CB 1.038 12 residues pruned to eliminate duplicates Z: 23 33.172 2.003 0.999 0.839 0.909 0.727 CB 1.451 23 residues pruned to eliminate duplicates Z: 41 29.514 1.968 0.827 0.503 0.900 0.575 CB 1.437 41 residues pruned to eliminate duplicates Z: 33 18.836 1.887 0.766 0.352 0.938 0.406 CB 1.251 Z: 57 30.209 1.948 0.639 0.538 0.929 0.536 CB 1.312 57 residues pruned to eliminate duplicates Z: 28 24.050 1.882 0.884 0.644 0.926 0.704 CB 1.232 29 residues pruned to eliminate duplicates Z: 46 24.083 1.891 0.781 0.483 0.889 0.556 CB 1.220 42 residues pruned to eliminate duplicates Z: 21 28.240 1.892 0.860 0.853 0.900 0.650 CA 1.473 21 residues pruned to eliminate duplicates Z: 23 29.273 1.972 0.707 0.852 1.000 0.636 CB 1.372 23 residues pruned to eliminate duplicates Z: 11 21.444 1.881 0.928 0.867 1.000 0.800 CB 1.368 11 residues pruned to eliminate duplicates Z: 22 29.063 2.006 0.722 0.892 0.952 0.571 CB 1.385 22 residues pruned to eliminate duplicates Z: 14 24.526 1.978 1.089 0.808 1.000 0.769 CA 1.259 14 residues pruned to eliminate duplicates Z: 49 28.934 1.877 0.589 0.546 0.979 0.604 CB 1.368 47 residues pruned to eliminate duplicates Z: 14 16.143 1.663 0.575 0.917 1.000 1.000 CA 1.207 14 residues pruned to eliminate duplicates Z: 23 26.555 1.915 0.464 0.874 1.000 0.909 CB 1.470 23 residues pruned to eliminate duplicates Z: 7 3.255 1.444 0.361 0.486 0.833 0.333 CA 0.823 Z: 13 17.937 1.585 0.825 0.873 1.000 0.667 CA 1.304 13 residues pruned to eliminate duplicates Z: 15 16.362 1.689 0.879 0.813 1.000 0.714 CA 1.050 15 residues pruned to eliminate duplicates Z: 29 14.431 1.893 0.638 0.325 0.821 0.321 CB 1.298 26 residues pruned to eliminate duplicates Z: 23 28.863 1.928 0.853 0.841 1.000 0.682 CB 1.285 23 residues pruned to eliminate duplicates Z: 14 15.598 1.741 0.672 0.845 0.923 0.692 CA 1.196 14 residues pruned to eliminate duplicates Z: 23 28.150 1.974 0.712 0.848 0.955 0.727 CA 1.380 22 residues pruned to eliminate duplicates Z: 12 21.864 1.903 1.148 0.875 1.000 0.909 CB 1.173 12 residues pruned to eliminate duplicates Z: 7 13.994 1.733 0.771 0.816 1.000 0.333 CA 1.414 7 residues pruned to eliminate duplicates Z: 13 10.458 1.668 0.279 0.903 1.000 0.750 CB 1.009 13 residues pruned to eliminate duplicates Z: 21 13.946 1.874 0.928 0.354 0.850 0.250 CB 1.188 21 residues pruned to eliminate duplicates Z: 15 24.279 1.882 0.955 0.779 1.000 0.643 CA 1.378 15 residues pruned to eliminate duplicates Z: 11 16.069 1.922 0.672 0.918 1.000 0.800 CB 1.115 11 residues pruned to eliminate duplicates Z: 40 33.506 2.011 0.937 0.536 0.872 0.641 CA 1.524 40 residues pruned to eliminate duplicates Z: 23 28.080 1.963 0.691 0.868 1.000 0.727 CB 1.318 23 residues pruned to eliminate duplicates 6 1.857 1.556 -0.061 0.284 0.800 0.400 CB 0.906 ? Z: 54 31.663 1.903 0.659 0.646 0.981 0.509 CB 1.225 71 residues pruned to eliminate duplicates Z: 10 10.400 1.771 0.021 0.910 1.000 1.000 CB 1.359 Z: 23 27.490 1.986 0.480 0.876 1.000 0.818 CB 1.449 23 residues pruned to eliminate duplicates Z: 24 32.036 1.965 0.798 0.887 1.000 0.783 CA 1.363 24 residues pruned to eliminate duplicates Z: 24 34.656 1.988 0.885 0.876 0.957 0.783 CA 1.466 24 residues pruned to eliminate duplicates Z: 17 11.996 1.828 0.745 0.327 0.812 0.500 CA 1.400 13 residues pruned to eliminate duplicates Z: 23 28.687 2.010 0.586 0.867 0.955 0.864 CA 1.471 23 residues pruned to eliminate duplicates Z: 22 17.156 1.917 0.748 0.418 0.905 0.524 CB 1.345 22 residues pruned to eliminate duplicates Z: 14 20.114 1.839 0.959 0.803 1.000 0.769 CA 1.189 14 residues pruned to eliminate duplicates Z: 23 27.336 1.897 0.576 0.891 1.000 0.864 CB 1.402 23 residues pruned to eliminate duplicates Z: 6 7.553 1.812 0.655 0.568 0.800 0.400 CB 1.318 Z: 39 20.240 1.762 0.434 0.548 0.974 0.658 CB 1.274 14 residues pruned to eliminate duplicates Z: 49 19.085 1.777 0.645 0.392 0.875 0.625 CB 1.207 11 residues pruned to eliminate duplicates Z: 15 9.498 1.744 0.326 0.615 0.786 0.571 CB 1.253 15 residues pruned to eliminate duplicates Z: 14 16.720 1.772 0.463 0.882 1.000 0.846 CB 1.294 14 residues pruned to eliminate duplicates Z: 8 8.486 1.465 0.626 0.784 1.000 0.714 CA 1.048 Z: 14 17.816 1.769 0.820 0.813 0.923 0.769 CB 1.266 14 residues pruned to eliminate duplicates Z: 30 26.906 1.929 0.968 0.633 0.897 0.483 CB 1.296 30 residues pruned to eliminate duplicates Z: 19 15.254 1.707 0.910 0.590 0.944 0.556 CB 1.071 10 residues pruned to eliminate duplicates Z: 27 18.638 1.875 0.620 0.436 0.962 0.577 CB 1.337 26 residues pruned to eliminate duplicates Z: 13 19.134 1.910 0.674 0.795 1.000 0.750 CB 1.333 13 residues pruned to eliminate duplicates Z: 7 11.581 1.934 0.565 0.680 1.000 0.833 CB 1.324 7 residues pruned to eliminate duplicates Z: 17 9.913 1.779 0.430 0.558 0.875 0.562 CB 1.052 17 residues pruned to eliminate duplicates Z: 72 24.092 1.844 0.581 0.469 0.817 0.549 CB 1.239 72 residues pruned to eliminate duplicates Z: 13 13.147 1.802 0.932 0.443 1.000 0.750 CB 1.155 12 residues pruned to eliminate duplicates Z: 23 30.202 2.025 0.709 0.866 0.955 0.773 CA 1.427 23 residues pruned to eliminate duplicates Z: 7 7.646 1.500 0.280 0.876 1.000 0.667 CA 1.182 7 residues pruned to eliminate duplicates Z: 12 19.794 1.919 0.983 0.925 0.909 0.818 CB 1.211 12 residues pruned to eliminate duplicates Z: 24 36.902 2.002 0.978 0.860 0.957 0.739 CA 1.494 24 residues pruned to eliminate duplicates Z: 18 19.609 1.967 1.118 0.346 0.824 0.471 CB 1.638 18 residues pruned to eliminate duplicates Z: 7 9.632 1.837 0.732 0.681 0.833 0.500 CB 1.256 7 residues pruned to eliminate duplicates Z: 40 42.968 2.100 1.138 0.567 0.923 0.564 CB 1.555 40 residues pruned to eliminate duplicates Z: 12 10.650 1.558 0.797 0.865 0.818 0.636 CB 1.027 12 residues pruned to eliminate duplicates Z: 14 18.951 1.848 0.767 0.899 0.846 0.692 CA 1.359 14 residues pruned to eliminate duplicates Z: 11 16.211 1.758 0.519 0.901 1.000 0.900 CB 1.370 13 residues pruned to eliminate duplicates Z: 48 23.766 1.847 0.640 0.570 0.894 0.660 CB 1.197 48 residues pruned to eliminate duplicates Z: 14 18.070 1.814 0.701 0.869 0.923 0.615 CA 1.286 14 residues pruned to eliminate duplicates Z: 7 12.944 1.806 1.030 0.704 0.833 0.500 CA 1.436 7 residues pruned to eliminate duplicates Z: 9 11.909 1.778 0.679 0.853 0.875 0.750 CA 1.191 9 residues pruned to eliminate duplicates Z: 45 25.429 1.878 0.915 0.559 0.886 0.614 CB 1.135 37 residues pruned to eliminate duplicates Z: 39 31.299 1.988 0.917 0.536 0.895 0.684 CB 1.437 39 residues pruned to eliminate duplicates Z: 6 4.655 1.792 0.712 0.382 0.600 0.400 CB 1.283 Z: 12 11.434 1.631 0.149 0.882 1.000 1.000 CA 1.332 12 residues pruned to eliminate duplicates Z: 23 36.800 2.033 0.879 0.860 1.000 0.682 CB 1.511 23 residues pruned to eliminate duplicates Z: 6 10.532 1.613 0.669 0.845 1.000 0.800 O 1.301 Z: 10 2.921 1.627 0.132 0.284 0.667 0.444 CB 1.011 10 residues pruned to eliminate duplicates Z: 12 15.079 1.665 0.499 0.907 1.000 0.909 CB 1.295 12 residues pruned to eliminate duplicates Z: 6 7.882 1.678 1.141 0.362 0.800 0.400 CA 1.422 Z: 24 35.022 1.991 1.034 0.840 0.913 0.783 CB 1.474 24 residues pruned to eliminate duplicates Z: 7 6.826 1.570 0.617 0.747 0.833 0.667 CB 1.056 7 residues pruned to eliminate duplicates Z: 13 21.857 1.875 1.290 0.866 0.917 0.750 CA 1.173 13 residues pruned to eliminate duplicates Z: 14 17.997 1.778 0.679 0.819 1.000 0.846 CA 1.267 14 residues pruned to eliminate duplicates Z: 13 23.851 1.923 1.367 0.834 1.000 0.833 CA 1.133 13 residues pruned to eliminate duplicates Z: 7 12.602 1.651 0.897 0.857 1.000 0.833 CB 1.211 7 residues pruned to eliminate duplicates Z: 10 6.392 1.611 1.035 0.354 0.778 0.667 CB 0.978 16 residues pruned to eliminate duplicates Z: 10 7.519 1.567 0.962 0.510 0.778 0.667 CB 1.037 Z: 19 7.814 1.761 0.687 0.319 0.722 0.333 CB 1.049 19 residues pruned to eliminate duplicates Z: 53 23.030 1.815 0.503 0.604 0.846 0.596 CB 1.253 56 residues pruned to eliminate duplicates Z: 19 21.061 2.002 0.763 0.491 0.944 0.778 CB 1.503 19 residues pruned to eliminate duplicates Z: 21 17.409 1.811 0.983 0.376 0.800 0.400 CB 1.547 20 residues pruned to eliminate duplicates Z: 44 23.645 1.822 0.608 0.582 0.884 0.674 CB 1.287 44 residues pruned to eliminate duplicates Z: 50 28.360 1.850 0.697 0.562 0.918 0.714 CB 1.323 48 residues pruned to eliminate duplicates Z: 15 10.966 1.687 0.298 0.632 1.000 0.643 CB 1.182 15 residues pruned to eliminate duplicates Z: 32 16.647 1.833 0.784 0.545 0.871 0.516 CB 1.004 19 residues pruned to eliminate duplicates Z: 13 18.794 1.922 0.531 0.814 1.000 1.000 CA 1.403 13 residues pruned to eliminate duplicates Z: 15 13.381 1.846 0.608 0.681 0.857 0.643 CB 1.190 15 residues pruned to eliminate duplicates Z: 15 11.496 1.713 0.454 0.615 1.000 0.786 CB 1.107 15 residues pruned to eliminate duplicates Z: 23 29.731 1.993 0.683 0.884 0.955 0.818 CA 1.431 23 residues pruned to eliminate duplicates Z: 39 17.708 1.800 0.609 0.432 0.868 0.447 CB 1.226 39 residues pruned to eliminate duplicates Z: 12 14.480 1.702 0.489 0.850 1.000 0.818 CA 1.276 12 residues pruned to eliminate duplicates Z: 24 36.324 1.997 0.820 0.880 1.000 0.739 CB 1.510 25 residues pruned to eliminate duplicates Z: 11 10.709 1.779 0.405 0.604 1.000 0.700 CA 1.227 11 residues pruned to eliminate duplicates Z: 7 4.029 1.557 0.558 0.464 0.833 0.667 CA 0.844 7 residues pruned to eliminate duplicates Z: 10 15.199 1.761 0.759 0.879 1.000 0.667 CB 1.186 10 residues pruned to eliminate duplicates Z: 43 31.727 1.976 0.860 0.646 0.952 0.571 CB 1.221 43 residues pruned to eliminate duplicates Z: 49 26.270 1.908 0.461 0.558 0.938 0.708 CB 1.372 49 residues pruned to eliminate duplicates Z: 22 16.300 1.849 0.698 0.461 0.905 0.476 CB 1.303 22 residues pruned to eliminate duplicates Z: 34 29.309 1.957 0.688 0.706 1.000 0.697 CB 1.281 34 residues pruned to eliminate duplicates Z: 12 17.341 1.795 0.798 0.900 1.000 0.818 CB 1.157 11 residues pruned to eliminate duplicates Z: 54 36.404 1.896 0.758 0.625 0.943 0.717 CA 1.414 54 residues pruned to eliminate duplicates Z: 51 32.761 1.920 0.820 0.567 0.960 0.720 CB 1.295 51 residues pruned to eliminate duplicates Z: 8 9.446 1.584 0.438 0.771 1.000 0.714 CB 1.233 8 residues pruned to eliminate duplicates Z: 24 27.184 1.916 0.629 0.859 1.000 0.739 CB 1.337 24 residues pruned to eliminate duplicates Z: 14 13.409 1.608 0.582 0.748 0.923 0.846 CA 1.269 14 residues pruned to eliminate duplicates Z: 14 18.493 1.904 0.977 0.859 1.000 0.923 CB 1.003 14 residues pruned to eliminate duplicates Z: 9 11.101 1.868 0.495 0.585 0.875 0.375 CA 1.480 Z: 11 17.166 1.895 0.949 0.561 1.000 0.500 CB 1.385 Z: 7 6.250 1.779 0.888 0.717 0.500 0.500 CB 1.249 7 residues pruned to eliminate duplicates Z: 22 23.802 1.912 0.521 0.902 1.000 0.857 CA 1.274 22 residues pruned to eliminate duplicates Z: 39 39.762 2.005 1.045 0.549 1.000 0.500 CB 1.500 41 residues pruned to eliminate duplicates Z: 73 31.306 1.923 0.584 0.523 0.931 0.597 CB 1.272 105 residues pruned to eliminate duplicates Z: 9 9.341 1.599 0.380 0.781 0.875 0.625 CA 1.336 9 residues pruned to eliminate duplicates Z: 26 32.604 2.024 1.088 0.590 0.920 0.600 CB 1.539 26 residues pruned to eliminate duplicates Z: 12 16.934 1.994 0.687 0.888 0.909 0.727 CB 1.203 Z: 6 4.336 1.579 0.712 0.509 0.800 0.600 CA 0.889 Z: 11 12.101 1.791 0.788 0.529 0.900 0.600 CA 1.290 9 residues pruned to eliminate duplicates Z: 14 14.096 1.733 0.326 0.887 1.000 0.846 CA 1.226 14 residues pruned to eliminate duplicates Z: 43 30.530 1.911 0.810 0.581 0.952 0.619 CB 1.324 43 residues pruned to eliminate duplicates Z: 7 12.237 1.798 0.989 0.744 0.833 0.500 CA 1.348 7 residues pruned to eliminate duplicates Z: 24 33.332 1.976 0.810 0.897 1.000 0.957 CA 1.391 24 residues pruned to eliminate duplicates Z: 43 29.353 1.816 0.954 0.486 0.905 0.452 CB 1.431 43 residues pruned to eliminate duplicates Z: 12 15.284 1.899 0.890 0.486 0.909 0.545 CB 1.432 Z: 14 13.547 1.862 0.590 0.586 0.923 0.462 CB 1.266 14 residues pruned to eliminate duplicates Z: 69 48.550 2.029 0.979 0.552 0.926 0.603 CA 1.505 72 residues pruned to eliminate duplicates Z: 12 7.720 1.762 0.690 0.571 1.000 0.455 CB 0.730 Z: 8 4.393 1.619 0.242 0.452 0.714 0.571 N 1.214 Z: 7 8.290 1.667 0.366 0.872 1.000 1.000 CB 1.083 7 residues pruned to eliminate duplicates Z: 44 24.974 1.885 0.619 0.526 0.953 0.651 CB 1.276 44 residues pruned to eliminate duplicates Z: 15 18.865 1.770 0.929 0.833 0.857 0.643 CA 1.293 15 residues pruned to eliminate duplicates Z: 32 34.553 2.072 1.045 0.522 0.935 0.419 CB 1.532 32 residues pruned to eliminate duplicates Z: 23 32.548 2.048 0.711 0.879 1.000 0.909 CA 1.436 23 residues pruned to eliminate duplicates Z: 23 29.168 1.980 0.803 0.873 0.955 0.682 CB 1.329 23 residues pruned to eliminate duplicates Z: 13 17.369 1.797 0.630 0.868 1.000 0.667 CA 1.251 13 residues pruned to eliminate duplicates Z: 21 26.870 1.901 0.672 0.873 1.000 0.800 CA 1.376 21 residues pruned to eliminate duplicates Z: 23 25.051 1.952 0.618 0.830 0.955 0.636 CB 1.332 23 residues pruned to eliminate duplicates Z: 14 7.634 1.514 0.650 0.550 0.769 0.538 CB 1.050 Z: 41 27.443 1.890 0.582 0.629 0.950 0.725 CA 1.352 41 residues pruned to eliminate duplicates Z: 29 19.328 1.940 0.778 0.531 0.857 0.679 CB 1.198 29 residues pruned to eliminate duplicates Z: 24 21.980 1.934 1.016 0.417 0.826 0.435 CA 1.552 24 residues pruned to eliminate duplicates Z: 13 11.715 1.586 0.351 0.845 1.000 0.667 CA 1.174 13 residues pruned to eliminate duplicates Z: 23 29.010 1.921 0.698 0.883 1.000 0.682 CB 1.371 23 residues pruned to eliminate duplicates Z: 23 28.544 1.987 0.544 0.843 1.000 0.773 CA 1.477 23 residues pruned to eliminate duplicates Z: 41 17.630 1.768 0.616 0.434 0.875 0.650 CB 1.195 6 residues pruned to eliminate duplicates Z: 23 14.455 1.859 0.833 0.327 0.818 0.409 CB 1.337 24 residues pruned to eliminate duplicates Z: 7 3.686 1.534 0.100 0.621 0.833 0.500 CB 0.955 Z: 42 29.204 2.016 0.860 0.584 0.927 0.659 CB 1.210 42 residues pruned to eliminate duplicates Z: 30 22.349 1.874 0.443 0.681 0.966 0.655 CB 1.346 30 residues pruned to eliminate duplicates Z: 27 27.184 2.042 0.860 0.580 0.846 0.423 CB 1.536 27 residues pruned to eliminate duplicates Z: 20 33.416 2.067 0.812 0.882 1.000 0.947 CB 1.481 20 residues pruned to eliminate duplicates Z: 13 19.807 1.925 0.565 0.838 1.000 0.750 CB 1.418 13 residues pruned to eliminate duplicates Z: 46 28.279 1.933 0.811 0.600 0.889 0.578 CB 1.232 46 residues pruned to eliminate duplicates Z: 40 41.922 2.094 0.958 0.580 0.949 0.590 CB 1.597 40 residues pruned to eliminate duplicates Z: 6 6.760 1.429 0.885 0.412 1.000 0.200 N 1.230 Z: 8 7.753 1.600 0.487 0.640 1.000 0.429 CB 1.080 8 residues pruned to eliminate duplicates Z: 82 36.621 1.906 0.617 0.616 0.926 0.654 CB 1.278 76 residues pruned to eliminate duplicates Z: 39 14.164 1.622 0.519 0.384 0.842 0.579 CB 1.253 28 residues pruned to eliminate duplicates Z: 31 16.313 1.774 0.566 0.410 0.900 0.567 CB 1.308 31 residues pruned to eliminate duplicates Z: 22 12.357 1.741 0.769 0.455 0.810 0.524 CB 1.133 22 residues pruned to eliminate duplicates Z: 26 25.638 1.978 0.813 0.675 0.960 0.680 CB 1.267 24 residues pruned to eliminate duplicates Z: 13 28.713 1.892 1.392 0.900 1.000 0.917 CB 1.309 13 residues pruned to eliminate duplicates Z: 41 23.883 1.794 0.554 0.654 0.950 0.775 CB 1.236 39 residues pruned to eliminate duplicates Z: 38 24.418 1.864 0.715 0.479 0.946 0.595 CB 1.357 40 residues pruned to eliminate duplicates Z: 20 25.715 1.917 0.710 0.930 0.947 0.737 CB 1.329 20 residues pruned to eliminate duplicates Z: 23 26.852 2.000 0.527 0.884 1.000 0.955 CA 1.355 23 residues pruned to eliminate duplicates Z: 15 16.721 1.703 0.648 0.854 0.929 0.643 CA 1.267 15 residues pruned to eliminate duplicates Z: 24 29.699 1.869 0.818 0.878 1.000 0.652 CB 1.322 24 residues pruned to eliminate duplicates Z: 58 30.577 1.927 0.853 0.465 0.825 0.509 CA 1.425 84 residues pruned to eliminate duplicates Z: 13 12.180 1.592 0.312 0.843 1.000 0.917 CB 1.254 13 residues pruned to eliminate duplicates Z: 14 20.196 1.783 0.612 0.864 1.000 0.769 CB 1.429 14 residues pruned to eliminate duplicates Z: 13 8.280 1.417 0.809 0.373 0.917 0.417 CB 1.165 Z: 14 9.236 1.640 0.624 0.641 0.923 0.615 CB 0.913 14 residues pruned to eliminate duplicates Z: 13 15.134 1.812 0.704 0.858 0.917 0.750 CB 1.136 13 residues pruned to eliminate duplicates Z: 6 7.624 1.748 0.383 0.885 1.000 1.000 CB 1.018 6 residues pruned to eliminate duplicates Z: 37 21.947 1.878 0.761 0.463 0.833 0.556 CB 1.378 37 residues pruned to eliminate duplicates Z: 14 21.613 1.771 0.910 0.862 1.000 0.769 CA 1.301 14 residues pruned to eliminate duplicates Z: 13 14.464 1.692 0.725 0.867 0.917 0.667 CB 1.141 13 residues pruned to eliminate duplicates Z: 8 3.112 1.631 0.419 0.349 0.714 0.571 CB 0.838 Z: 6 4.369 1.507 0.505 0.390 0.800 0.600 N 1.210 Z: 38 26.197 1.864 0.458 0.732 0.973 0.757 CB 1.322 38 residues pruned to eliminate duplicates Z: 21 25.279 1.957 0.521 0.898 1.000 0.900 CA 1.359 21 residues pruned to eliminate duplicates Z: 15 13.804 1.509 0.508 0.814 1.000 0.571 CA 1.234 15 residues pruned to eliminate duplicates Z: 14 17.587 1.753 0.689 0.880 1.000 0.846 CA 1.194 14 residues pruned to eliminate duplicates Z: 8 6.638 1.709 0.385 0.447 1.000 0.714 CB 1.119 9 residues pruned to eliminate duplicates Z: 9 10.909 1.795 0.466 0.825 0.875 0.625 CA 1.264 9 residues pruned to eliminate duplicates Z: 20 10.975 1.717 0.282 0.480 0.895 0.579 CB 1.304 20 residues pruned to eliminate duplicates Z: 51 28.499 1.931 0.587 0.570 0.940 0.620 CB 1.308 51 residues pruned to eliminate duplicates Z: 19 14.140 1.778 1.057 0.651 0.889 0.722 CB 0.891 19 residues pruned to eliminate duplicates Z: 18 12.346 1.688 0.490 0.649 0.765 0.529 CB 1.356 18 residues pruned to eliminate duplicates Z: 8 5.406 1.748 0.714 0.316 0.714 0.429 CB 1.171 8 residues pruned to eliminate duplicates Z: 41 24.615 1.988 0.857 0.384 0.850 0.475 CB 1.404 41 residues pruned to eliminate duplicates Z: 6 4.137 1.589 0.562 0.366 1.000 0.200 CB 0.860 Z: 45 29.599 1.872 0.789 0.555 0.932 0.705 CB 1.355 45 residues pruned to eliminate duplicates Z: 13 17.669 1.791 0.833 0.847 1.000 0.750 CB 1.154 13 residues pruned to eliminate duplicates Z: 26 17.305 1.848 0.525 0.433 0.920 0.520 CB 1.430 26 residues pruned to eliminate duplicates Z: 7 3.879 1.680 0.323 0.344 0.667 0.500 N 1.266 Z: 12 19.199 2.068 1.208 0.934 0.909 0.818 CB 0.973 12 residues pruned to eliminate duplicates Z: 23 23.098 1.871 0.520 0.844 0.955 0.818 CB 1.349 23 residues pruned to eliminate duplicates Z: 14 6.214 1.707 0.542 0.398 0.692 0.538 CB 1.053 14 residues pruned to eliminate duplicates Z: 23 27.992 1.931 0.722 0.903 1.000 0.727 CB 1.279 23 residues pruned to eliminate duplicates Z: 10 14.032 1.911 0.808 0.542 1.000 0.778 CA 1.299 10 residues pruned to eliminate duplicates Z: 39 19.715 1.815 0.649 0.448 0.895 0.474 CB 1.259 39 residues pruned to eliminate duplicates Z: 53 28.636 1.877 0.781 0.527 0.904 0.654 CB 1.280 52 residues pruned to eliminate duplicates Z: 24 26.419 1.971 0.572 0.860 0.957 0.783 CA 1.367 24 residues pruned to eliminate duplicates Z: 14 17.417 1.749 0.644 0.874 1.000 0.923 CB 1.222 14 residues pruned to eliminate duplicates Z: 13 20.253 1.985 1.046 0.839 1.000 0.917 CA 1.075 13 residues pruned to eliminate duplicates Z: 30 13.774 1.752 0.683 0.379 0.862 0.345 CB 1.145 8 residues pruned to eliminate duplicates Z: 9 9.838 1.695 0.611 0.562 1.000 0.500 CA 1.200 Z: 7 16.623 1.868 0.907 0.717 1.000 0.333 CA 1.566 7 residues pruned to eliminate duplicates Z: 28 15.615 1.767 0.738 0.399 0.852 0.556 CB 1.278 29 residues pruned to eliminate duplicates Z: 11 8.412 1.818 0.389 0.431 0.900 0.500 CB 1.258 Z: 44 26.745 1.879 0.583 0.590 0.907 0.674 CB 1.387 44 residues pruned to eliminate duplicates Z: 25 15.979 1.778 0.560 0.611 0.875 0.750 CB 1.209 21 residues pruned to eliminate duplicates Z: 15 6.213 1.718 0.419 0.284 0.714 0.500 CB 1.217 15 residues pruned to eliminate duplicates Z: 19 13.035 1.797 0.599 0.461 0.833 0.611 CB 1.336 19 residues pruned to eliminate duplicates Z: 42 26.187 1.912 0.657 0.630 0.902 0.659 CB 1.265 42 residues pruned to eliminate duplicates Z: 14 12.502 1.732 0.416 0.852 1.000 0.846 CA 1.045 14 residues pruned to eliminate duplicates 6 1.676 1.617 -0.016 0.294 0.600 0.400 CB 0.989 ? Z: 8 4.410 1.279 0.228 0.658 1.000 0.571 CA 0.917 8 residues pruned to eliminate duplicates Z: 7 5.589 1.774 0.276 0.890 0.833 0.833 CB 0.871 7 residues pruned to eliminate duplicates Z: 13 20.513 1.965 1.202 0.799 0.917 0.750 CA 1.150 13 residues pruned to eliminate duplicates Z: 43 31.691 1.946 0.801 0.585 0.952 0.786 CB 1.350 43 residues pruned to eliminate duplicates Z: 48 25.831 1.836 0.550 0.564 0.936 0.574 CA 1.329 48 residues pruned to eliminate duplicates Z: 6 2.560 1.303 0.370 0.387 1.000 0.400 CB 0.723 Z: 49 30.543 1.913 0.737 0.584 0.938 0.688 CB 1.306 49 residues pruned to eliminate duplicates Z: 17 14.326 1.915 0.961 0.687 0.938 0.625 CB 0.857 17 residues pruned to eliminate duplicates Z: 8 6.168 1.828 1.007 0.318 0.571 0.286 CB 1.360 8 residues pruned to eliminate duplicates Z: 40 26.695 1.924 0.735 0.645 0.897 0.667 CB 1.246 40 residues pruned to eliminate duplicates Z: 16 8.384 1.626 0.897 0.331 0.667 0.333 CB 1.267 Z: 37 20.834 1.783 0.675 0.459 0.917 0.500 CB 1.322 39 residues pruned to eliminate duplicates Z: 24 32.661 1.970 0.803 0.854 1.000 0.826 CB 1.416 24 residues pruned to eliminate duplicates Z: 24 28.610 1.929 0.724 0.824 0.957 0.783 CA 1.417 24 residues pruned to eliminate duplicates Z: 14 14.740 1.719 0.641 0.844 0.846 0.769 CB 1.274 14 residues pruned to eliminate duplicates Z: 40 23.401 1.838 0.776 0.479 0.923 0.641 CB 1.270 40 residues pruned to eliminate duplicates Z: 46 27.713 1.959 0.602 0.558 0.889 0.644 CB 1.401 46 residues pruned to eliminate duplicates Z: 12 13.925 1.798 0.494 0.910 1.000 0.636 CB 1.108 12 residues pruned to eliminate duplicates Z: 9 6.716 1.684 0.294 0.492 0.875 0.375 CB 1.255 9 residues pruned to eliminate duplicates Z: 7 8.342 1.768 0.632 0.754 0.833 0.667 CB 1.129 7 residues pruned to eliminate duplicates Z: 18 13.466 1.861 0.900 0.357 0.882 0.529 CB 1.222 18 residues pruned to eliminate duplicates Z: 7 3.549 1.697 0.328 0.382 0.833 0.500 CB 0.874 Z: 14 23.632 1.710 1.353 0.876 1.000 0.462 CB 1.184 14 residues pruned to eliminate duplicates Z: 24 13.569 1.759 0.508 0.453 0.913 0.522 CB 1.226 24 residues pruned to eliminate duplicates Z: 11 17.568 1.981 1.286 0.909 1.000 0.900 CB 0.871 11 residues pruned to eliminate duplicates Z: 8 5.800 1.575 0.891 0.338 0.857 0.571 CB 1.024 Z: 11 15.681 1.750 0.743 0.893 0.900 0.900 CA 1.296 11 residues pruned to eliminate duplicates Z: 19 10.151 1.738 0.480 0.466 0.889 0.667 CB 1.083 19 residues pruned to eliminate duplicates Z: 13 4.928 1.407 0.830 0.381 0.833 0.750 CB 0.752 13 residues pruned to eliminate duplicates Z: 12 15.938 1.727 0.690 0.916 1.000 0.909 CB 1.163 12 residues pruned to eliminate duplicates Z: 12 22.140 1.874 0.714 0.923 1.000 0.727 CB 1.460 12 residues pruned to eliminate duplicates Z: 13 20.661 1.876 0.860 0.862 1.000 0.583 CB 1.255 13 residues pruned to eliminate duplicates Z: 6 6.292 1.564 0.855 0.532 1.000 1.000 CB 0.939 Z: 14 14.679 1.706 0.571 0.912 0.923 0.846 CA 1.166 14 residues pruned to eliminate duplicates Z: 6 4.219 1.511 1.346 0.455 0.600 0.600 CB 0.929 Z: 17 17.777 1.995 0.810 0.425 0.875 0.500 CB 1.520 17 residues pruned to eliminate duplicates Z: 10 10.311 1.680 0.560 0.682 1.000 0.778 CA 1.110 10 residues pruned to eliminate duplicates Z: 6 4.874 1.379 0.607 0.630 1.000 0.600 CB 0.870 Z: 21 30.615 2.003 0.764 0.893 0.950 0.850 CB 1.465 21 residues pruned to eliminate duplicates Z: 13 12.976 1.743 0.366 0.877 0.917 0.667 CB 1.246 13 residues pruned to eliminate duplicates Z: 15 10.287 1.888 0.417 0.578 0.857 0.714 CB 1.112 Z: 40 23.277 1.803 0.507 0.609 0.949 0.692 CB 1.303 40 residues pruned to eliminate duplicates Z: 6 3.702 1.657 0.788 0.299 0.800 0.800 CB 0.874 Z: 13 20.160 1.912 1.019 0.840 0.917 0.750 CA 1.227 13 residues pruned to eliminate duplicates 6 1.724 1.541 -0.379 0.480 0.800 0.600 CB 1.028 ? Z: 11 16.674 1.872 0.737 0.922 1.000 0.900 CB 1.140 11 residues pruned to eliminate duplicates Z: 37 38.574 2.075 1.119 0.486 0.944 0.528 CB 1.571 37 residues pruned to eliminate duplicates Z: 24 25.312 1.845 0.463 0.873 1.000 0.870 CA 1.424 24 residues pruned to eliminate duplicates Z: 43 35.539 1.953 0.796 0.612 0.976 0.690 CB 1.441 43 residues pruned to eliminate duplicates Z: 10 17.036 1.978 1.195 0.585 0.889 0.778 CB 1.356 8 residues pruned to eliminate duplicates Z: 38 32.359 1.998 0.949 0.505 0.865 0.595 CB 1.572 38 residues pruned to eliminate duplicates Z: 8 9.023 1.824 0.284 0.566 1.000 0.714 CB 1.366 8 residues pruned to eliminate duplicates Z: 7 8.306 1.719 0.639 0.642 1.000 0.833 CB 1.054 7 residues pruned to eliminate duplicates Z: 11 5.503 1.661 0.817 0.452 0.900 0.300 CB 0.673 11 residues pruned to eliminate duplicates Z: 34 32.725 2.001 1.083 0.505 0.939 0.485 CB 1.447 34 residues pruned to eliminate duplicates Z: 38 24.891 1.924 0.533 0.690 0.973 0.730 CB 1.198 38 residues pruned to eliminate duplicates Z: 7 4.857 1.787 0.299 0.427 0.833 0.500 CB 1.105 7 residues pruned to eliminate duplicates Z: 6 10.308 1.837 0.406 0.685 1.000 0.600 CB 1.507 6 residues pruned to eliminate duplicates Z: 15 9.180 1.620 0.333 0.672 0.857 0.643 CB 1.131 15 residues pruned to eliminate duplicates Z: 20 10.926 1.742 0.683 0.354 0.895 0.684 CA 1.119 20 residues pruned to eliminate duplicates Z: 21 22.585 1.950 0.556 0.877 0.900 0.850 CB 1.343 21 residues pruned to eliminate duplicates Z: 7 6.972 1.750 0.732 0.746 0.667 0.333 CB 1.131 7 residues pruned to eliminate duplicates Z: 14 11.800 1.777 0.593 0.648 0.846 0.538 CA 1.189 14 residues pruned to eliminate duplicates Z: 13 12.818 1.936 0.738 0.785 0.917 0.750 CA 0.934 13 residues pruned to eliminate duplicates Z: 9 8.946 1.714 0.407 0.725 1.000 0.750 CB 1.070 9 residues pruned to eliminate duplicates Z: 14 20.017 1.762 0.986 0.861 1.000 0.692 CB 1.165 15 residues pruned to eliminate duplicates Z: 7 4.521 1.517 1.059 0.420 0.833 0.333 CB 0.771 Z: 25 16.831 1.758 0.857 0.459 0.833 0.542 CB 1.317 29 residues pruned to eliminate duplicates Z: 16 11.134 1.512 0.505 0.700 0.933 0.667 CB 1.128 16 residues pruned to eliminate duplicates Z: 37 18.711 1.844 0.588 0.464 0.861 0.556 CB 1.283 37 residues pruned to eliminate duplicates Z: 21 10.561 1.665 0.504 0.441 0.800 0.550 CA 1.252 21 residues pruned to eliminate duplicates Z: 9 7.988 1.524 1.069 0.499 0.875 0.625 CA 1.024 9 residues pruned to eliminate duplicates Z: 41 37.396 2.040 1.054 0.519 0.925 0.625 CB 1.497 41 residues pruned to eliminate duplicates Z: 15 11.752 1.843 0.712 0.403 0.857 0.500 CB 1.286 15 residues pruned to eliminate duplicates Z: 20 15.710 1.906 0.587 0.412 0.947 0.632 CB 1.378 20 residues pruned to eliminate duplicates Z: 19 24.610 1.859 0.946 0.848 0.944 0.556 CB 1.259 19 residues pruned to eliminate duplicates Z: 13 16.543 1.782 0.507 0.917 1.000 0.833 CB 1.254 13 residues pruned to eliminate duplicates Z: 28 21.629 1.988 0.904 0.474 0.852 0.481 CB 1.325 28 residues pruned to eliminate duplicates Z: 26 17.187 1.891 0.430 0.640 0.840 0.560 CB 1.328 26 residues pruned to eliminate duplicates Z: 14 17.067 1.804 0.791 0.879 0.923 0.846 CA 1.151 14 residues pruned to eliminate duplicates Z: 26 19.664 1.827 0.776 0.482 0.920 0.680 CB 1.341 26 residues pruned to eliminate duplicates Z: 45 25.740 1.889 0.534 0.593 0.932 0.659 CB 1.315 45 residues pruned to eliminate duplicates Z: 6 2.626 1.894 0.176 0.253 1.000 0.400 CB 0.700 Z: 13 7.265 1.664 0.659 0.358 0.833 0.417 CB 1.063 Z: 6 6.696 1.777 0.653 0.790 0.800 0.600 CB 0.988 8 residues pruned to eliminate duplicates Z: 37 18.938 1.738 0.527 0.685 0.917 0.694 CB 1.095 34 residues pruned to eliminate duplicates Z: 6 4.691 1.349 0.505 0.671 1.000 0.600 CB 0.882 Z: 11 4.448 1.736 0.689 0.313 0.800 0.500 CB 0.738 8 residues pruned to eliminate duplicates Z: 9 16.458 1.874 1.088 0.542 1.000 0.625 CA 1.427 9 residues pruned to eliminate duplicates Z: 7 4.558 1.539 0.404 0.334 1.000 0.500 CB 1.033 7 residues pruned to eliminate duplicates Z: 11 12.185 1.679 0.623 0.870 0.900 0.800 CB 1.147 11 residues pruned to eliminate duplicates Z: 11 15.843 2.045 0.861 0.419 1.000 0.800 CA 1.432 11 residues pruned to eliminate duplicates Z: 29 25.627 1.923 0.735 0.649 0.893 0.607 CA 1.415 29 residues pruned to eliminate duplicates Z: 6 3.230 1.715 -0.069 0.625 1.000 0.600 CB 0.805 Z: 8 7.941 1.815 0.832 0.408 0.857 0.429 CA 1.160 8 residues pruned to eliminate duplicates Z: 42 21.795 1.844 0.662 0.450 0.902 0.561 CB 1.297 43 residues pruned to eliminate duplicates Z: 8 7.483 1.819 0.805 0.432 0.714 0.429 CB 1.293 8 residues pruned to eliminate duplicates Z: 10 9.639 1.658 0.437 0.611 1.000 0.556 CB 1.214 10 residues pruned to eliminate duplicates Z: 7 2.639 1.647 0.893 0.311 0.667 0.333 CB 0.639 7 residues pruned to eliminate duplicates Z: 20 28.597 2.019 0.639 0.916 0.947 0.895 CA 1.478 20 residues pruned to eliminate duplicates Z: 13 16.466 1.818 0.679 0.860 1.000 0.833 CB 1.145 13 residues pruned to eliminate duplicates Z: 22 11.995 1.640 0.882 0.378 0.762 0.333 CA 1.268 22 residues pruned to eliminate duplicates Z: 25 16.803 1.870 0.745 0.437 0.917 0.500 CB 1.224 25 residues pruned to eliminate duplicates Z: 6 8.850 1.804 0.136 0.819 1.000 0.800 CA 1.465 6 residues pruned to eliminate duplicates Z: 17 8.506 1.617 0.477 0.466 0.812 0.562 CB 1.134 20 residues pruned to eliminate duplicates Z: 81 36.432 1.901 0.810 0.559 0.875 0.575 CB 1.278 81 residues pruned to eliminate duplicates Z: 13 18.252 1.932 0.729 0.859 0.917 0.667 CA 1.266 13 residues pruned to eliminate duplicates Z: 7 5.374 1.795 0.689 0.438 0.667 0.500 CA 1.158 Z: 22 24.540 1.933 0.605 0.898 0.952 0.810 CB 1.296 22 residues pruned to eliminate duplicates Z: 17 10.278 1.735 0.496 0.355 0.875 0.562 CB 1.323 17 residues pruned to eliminate duplicates Z: 11 18.295 1.829 1.005 0.918 1.000 0.700 CB 1.113 11 residues pruned to eliminate duplicates Z: 12 7.162 1.644 0.678 0.459 0.727 0.727 CB 1.123 12 residues pruned to eliminate duplicates Z: 9 8.401 1.402 0.796 0.807 0.875 0.625 O 1.031 9 residues pruned to eliminate duplicates Z: 6 7.512 1.707 0.414 0.663 1.000 1.000 N 1.197 Z: 42 38.938 2.070 0.956 0.543 0.927 0.488 CB 1.553 42 residues pruned to eliminate duplicates Z: 8 2.377 1.383 0.590 0.250 0.571 0.429 CB 0.954 Z: 15 15.846 1.633 0.501 0.866 1.000 0.857 CB 1.264 15 residues pruned to eliminate duplicates Z: 24 17.752 1.933 0.783 0.437 0.826 0.565 CB 1.388 24 residues pruned to eliminate duplicates Z: 14 11.408 1.828 0.375 0.588 0.923 0.846 CB 1.254 14 residues pruned to eliminate duplicates Z: 24 34.484 1.945 0.903 0.874 0.957 0.696 CA 1.478 24 residues pruned to eliminate duplicates Z: 9 4.250 1.538 0.133 0.389 0.875 0.250 CA 1.108 Z: 14 15.905 1.744 0.675 0.882 0.923 0.385 CB 1.183 14 residues pruned to eliminate duplicates Z: 40 19.513 1.811 0.750 0.407 0.821 0.615 CA 1.324 40 residues pruned to eliminate duplicates Z: 29 21.069 1.968 0.762 0.554 0.929 0.714 CB 1.173 29 residues pruned to eliminate duplicates Z: 49 33.534 1.961 0.770 0.565 0.958 0.667 CB 1.367 49 residues pruned to eliminate duplicates Z: 11 4.945 1.625 0.343 0.271 0.800 0.400 CB 1.162 Z: 20 25.597 1.961 0.468 0.930 1.000 0.947 CA 1.426 20 residues pruned to eliminate duplicates Z: 41 31.738 1.969 0.859 0.496 0.975 0.500 CB 1.412 41 residues pruned to eliminate duplicates Z: 14 17.628 1.786 0.704 0.829 1.000 0.769 CA 1.209 14 residues pruned to eliminate duplicates Z: 6 5.480 1.660 0.206 0.850 1.000 1.000 CB 0.907 6 residues pruned to eliminate duplicates Z: 13 9.722 1.765 0.020 0.900 1.000 0.917 CB 1.113 13 residues pruned to eliminate duplicates Z: 11 22.634 1.974 0.787 0.920 1.000 0.900 CB 1.429 11 residues pruned to eliminate duplicates Z: 14 9.619 1.743 0.499 0.561 0.846 0.308 CB 1.137 14 residues pruned to eliminate duplicates Z: 12 10.653 1.609 0.322 0.876 1.000 1.000 CA 1.098 12 residues pruned to eliminate duplicates Z: 40 20.679 1.891 0.714 0.404 0.923 0.436 CB 1.225 40 residues pruned to eliminate duplicates Z: 6 2.407 1.553 -0.155 0.393 1.000 0.800 CB 0.919 Z: 48 32.552 1.961 0.800 0.593 0.936 0.702 CB 1.315 48 residues pruned to eliminate duplicates Z: 32 22.511 1.886 0.764 0.529 0.903 0.645 CB 1.307 32 residues pruned to eliminate duplicates Z: 9 5.736 1.743 0.254 0.484 0.750 0.500 N 1.257 Z: 26 17.651 1.853 0.620 0.407 0.920 0.600 CB 1.409 26 residues pruned to eliminate duplicates Z: 12 10.920 1.624 0.677 0.790 0.818 0.818 CB 1.146 12 residues pruned to eliminate duplicates Z: 6 2.706 1.715 0.638 0.369 0.600 0.200 CB 0.826 Z: 25 22.230 1.919 0.856 0.489 0.917 0.708 CB 1.406 25 residues pruned to eliminate duplicates Z: 7 4.048 1.792 0.147 0.535 0.833 0.667 CB 0.932 Z: 8 6.840 1.676 0.372 0.570 0.857 0.571 CB 1.226 8 residues pruned to eliminate duplicates Z: 8 7.616 1.663 0.394 0.565 0.857 0.714 N 1.360 8 residues pruned to eliminate duplicates Z: 6 3.745 1.633 -0.066 0.642 0.800 0.600 CB 1.202 Z: 16 8.398 1.533 0.362 0.544 0.867 0.533 CB 1.147 16 residues pruned to eliminate duplicates Z: 10 5.010 1.752 0.654 0.311 0.556 0.444 CB 1.280 10 residues pruned to eliminate duplicates Z: 45 28.706 1.917 0.764 0.549 0.909 0.659 CB 1.342 45 residues pruned to eliminate duplicates Z: 11 14.529 1.647 0.761 0.904 0.900 0.700 CA 1.253 11 residues pruned to eliminate duplicates Z: 24 31.803 2.020 0.752 0.878 1.000 0.957 CA 1.360 24 residues pruned to eliminate duplicates Z: 6 9.393 1.793 0.741 0.675 1.000 1.000 CB 1.146 6 residues pruned to eliminate duplicates Z: 8 5.543 1.490 0.127 0.882 1.000 1.000 CA 0.903 8 residues pruned to eliminate duplicates Z: 14 17.076 1.703 0.533 0.876 1.000 0.692 CB 1.318 14 residues pruned to eliminate duplicates Z: 12 11.955 1.616 0.664 0.807 0.818 0.636 CB 1.253 12 residues pruned to eliminate duplicates Z: 9 13.688 1.782 0.787 0.712 1.000 1.000 CA 1.254 9 residues pruned to eliminate duplicates Z: 44 23.704 1.890 0.773 0.503 0.837 0.581 CB 1.285 44 residues pruned to eliminate duplicates Z: 7 10.714 1.797 0.777 0.720 0.833 0.500 CB 1.347 7 residues pruned to eliminate duplicates Z: 8 10.860 1.780 0.702 0.563 1.000 0.714 CB 1.275 8 residues pruned to eliminate duplicates Z: 6 6.354 1.527 0.535 0.820 1.000 0.600 N 0.919 Z: 50 17.781 1.753 0.680 0.489 0.878 0.551 CB 0.994 50 residues pruned to eliminate duplicates Z: 40 19.481 1.730 0.443 0.590 0.949 0.641 CB 1.208 41 residues pruned to eliminate duplicates Z: 6 3.904 1.741 0.315 0.472 1.000 0.600 CB 0.784 6 residues pruned to eliminate duplicates Z: 6 3.289 1.635 0.472 0.468 0.600 0.400 N 1.052 Z: 26 16.539 1.845 0.685 0.507 0.840 0.320 CB 1.258 26 residues pruned to eliminate duplicates Z: 6 2.513 1.519 0.651 0.287 0.800 0.400 CB 0.712 Z: 39 23.911 1.858 0.800 0.482 0.921 0.526 CB 1.283 43 residues pruned to eliminate duplicates Z: 14 10.741 1.822 0.498 0.590 0.846 0.385 CB 1.183 14 residues pruned to eliminate duplicates Z: 13 18.024 1.571 0.949 0.841 1.000 0.750 CB 1.268 13 residues pruned to eliminate duplicates Z: 7 10.800 1.753 0.579 0.888 1.000 0.833 CB 1.148 7 residues pruned to eliminate duplicates Z: 7 4.343 1.609 0.099 0.560 1.000 1.000 CB 0.947 Z: 45 25.779 1.931 0.738 0.528 0.886 0.591 CB 1.271 45 residues pruned to eliminate duplicates Z: 6 2.849 1.602 0.604 0.508 0.800 0.400 CB 0.615 Z: 6 4.535 1.837 0.020 0.483 0.800 0.600 CB 1.376 Z: 6 3.160 1.649 0.121 0.385 0.800 0.800 N 1.080 Z: 10 8.087 1.617 0.364 0.644 1.000 0.667 CA 1.067 10 residues pruned to eliminate duplicates Z: 14 15.456 1.667 0.934 0.829 1.000 0.462 CB 1.000 14 residues pruned to eliminate duplicates Z: 23 25.245 1.911 0.648 0.867 0.955 0.591 CB 1.310 23 residues pruned to eliminate duplicates Z: 7 5.159 1.704 0.375 0.623 1.000 0.667 CB 0.800 Z: 6 10.338 1.941 0.656 0.786 0.800 0.600 CB 1.398 6 residues pruned to eliminate duplicates Z: 34 20.560 1.797 0.859 0.506 0.939 0.636 CB 1.134 28 residues pruned to eliminate duplicates Z: 41 24.645 1.878 0.833 0.547 0.925 0.575 CB 1.169 39 residues pruned to eliminate duplicates Z: 26 20.440 1.804 0.791 0.468 0.960 0.520 CB 1.361 26 residues pruned to eliminate duplicates Z: 9 8.481 1.422 0.441 0.894 1.000 0.750 CB 1.050 Z: 31 23.664 1.921 0.777 0.606 0.867 0.733 CB 1.321 31 residues pruned to eliminate duplicates Z: 7 6.280 1.869 0.493 0.394 0.833 0.500 CB 1.232 7 residues pruned to eliminate duplicates Z: 19 16.832 1.974 0.895 0.469 0.833 0.389 CB 1.313 19 residues pruned to eliminate duplicates Z: 7 7.290 1.709 0.615 0.482 0.833 0.500 CA 1.317 Z: 14 15.525 1.755 0.633 0.873 1.000 0.923 CA 1.094 14 residues pruned to eliminate duplicates Z: 20 19.930 1.994 0.910 0.372 0.895 0.474 CB 1.537 20 residues pruned to eliminate duplicates Z: 33 20.382 1.836 0.606 0.629 0.875 0.531 CB 1.237 33 residues pruned to eliminate duplicates Z: 8 11.341 1.880 1.009 0.808 0.714 0.714 CB 1.215 8 residues pruned to eliminate duplicates Z: 6 3.647 1.458 0.227 0.562 1.000 0.600 CB 0.858 Z: 41 28.501 1.922 0.904 0.481 0.925 0.425 CB 1.357 41 residues pruned to eliminate duplicates Z: 46 22.645 1.787 0.703 0.541 0.889 0.644 CB 1.199 41 residues pruned to eliminate duplicates Z: 41 12.114 1.681 0.375 0.380 0.850 0.550 CB 1.108 41 residues pruned to eliminate duplicates Z: 23 28.097 1.918 0.733 0.901 0.955 0.682 CB 1.348 23 residues pruned to eliminate duplicates Z: 13 14.663 1.756 0.556 0.915 0.917 0.833 CA 1.195 13 residues pruned to eliminate duplicates Z: 50 32.051 1.959 0.780 0.544 0.918 0.551 CB 1.370 50 residues pruned to eliminate duplicates Z: 29 23.692 1.942 1.062 0.573 0.893 0.714 CB 1.167 29 residues pruned to eliminate duplicates Z: 31 28.897 1.986 0.913 0.528 0.900 0.467 CB 1.500 31 residues pruned to eliminate duplicates Z: 22 29.132 1.985 0.650 0.885 1.000 0.810 CA 1.401 22 residues pruned to eliminate duplicates Z: 11 7.329 1.567 0.546 0.441 0.900 0.300 N 1.129 Z: 26 12.286 1.763 0.347 0.540 0.960 0.560 CB 1.036 26 residues pruned to eliminate duplicates Z: 10 8.302 1.772 0.791 0.433 0.778 0.667 CB 1.202 10 residues pruned to eliminate duplicates Z: 12 16.845 1.940 0.782 0.844 1.000 0.818 CB 1.093 12 residues pruned to eliminate duplicates Z: 16 19.475 1.808 0.733 0.610 1.000 0.800 CB 1.445 15 residues pruned to eliminate duplicates Z: 51 33.147 1.947 0.740 0.651 0.920 0.700 CB 1.306 51 residues pruned to eliminate duplicates Z: 23 22.085 1.915 0.394 0.886 1.000 0.864 CA 1.272 23 residues pruned to eliminate duplicates Z: 44 35.309 2.026 1.005 0.503 0.860 0.512 CB 1.535 44 residues pruned to eliminate duplicates Z: 61 27.977 1.862 0.558 0.554 0.933 0.633 CB 1.266 61 residues pruned to eliminate duplicates Z: 19 10.606 1.672 0.409 0.512 0.944 0.500 CB 1.110 19 residues pruned to eliminate duplicates Z: 28 19.724 1.891 1.070 0.612 0.815 0.593 CB 1.069 28 residues pruned to eliminate duplicates Z: 13 17.219 1.703 1.091 0.879 0.917 0.667 CB 1.104 13 residues pruned to eliminate duplicates Z: 11 16.363 1.999 0.580 0.860 1.000 0.800 CA 1.204 11 residues pruned to eliminate duplicates Z: 43 21.513 1.820 0.714 0.513 0.929 0.595 CB 1.131 45 residues pruned to eliminate duplicates Z: 30 17.091 1.849 0.489 0.376 0.931 0.621 CB 1.414 30 residues pruned to eliminate duplicates Z: 46 27.111 1.870 0.562 0.571 0.956 0.733 CB 1.352 46 residues pruned to eliminate duplicates Z: 6 4.417 1.798 -0.047 0.719 1.000 0.600 CB 0.946 6 residues pruned to eliminate duplicates Z: 7 3.778 1.594 0.754 0.600 0.833 0.833 CB 0.602 6 residues pruned to eliminate duplicates Z: 55 30.396 1.876 0.637 0.623 0.963 0.741 CB 1.245 53 residues pruned to eliminate duplicates Z: 13 15.124 1.760 0.574 0.898 1.000 0.833 CB 1.127 13 residues pruned to eliminate duplicates Z: 45 32.039 1.977 0.855 0.603 0.955 0.591 CB 1.251 45 residues pruned to eliminate duplicates Z: 24 34.337 2.008 0.788 0.884 0.957 0.783 CA 1.506 24 residues pruned to eliminate duplicates Z: 6 3.118 1.637 0.851 0.477 1.000 0.800 CB 0.471 Z: 14 15.842 1.697 0.735 0.821 1.000 0.846 CA 1.130 14 residues pruned to eliminate duplicates Z: 6 3.753 1.614 0.596 0.299 0.600 0.400 CA 1.359 6 residues pruned to eliminate duplicates Z: 11 11.314 1.962 0.597 0.921 1.000 0.900 CB 0.804 11 residues pruned to eliminate duplicates Z: 8 5.297 1.682 0.318 0.525 0.714 0.429 CB 1.234 8 residues pruned to eliminate duplicates Z: 10 10.866 1.679 0.731 0.616 0.889 0.778 CB 1.256 10 residues pruned to eliminate duplicates Z: 13 8.098 1.746 0.631 0.414 0.833 0.583 CB 1.078 Z: 14 9.682 1.726 0.430 0.700 0.846 0.769 CB 1.072 14 residues pruned to eliminate duplicates Z: 6 4.496 1.558 0.444 0.520 0.800 0.600 N 1.094 6 residues pruned to eliminate duplicates Z: 25 21.615 1.953 1.096 0.613 0.917 0.750 CB 1.057 25 residues pruned to eliminate duplicates Z: 37 18.950 1.819 0.579 0.433 0.889 0.444 CB 1.326 37 residues pruned to eliminate duplicates 7 1.004 1.396 0.479 0.083 0.500 0.333 N 0.681 ? Z: 8 4.449 1.356 0.530 0.401 0.857 0.429 O 1.050 Z: 6 6.446 1.567 0.630 0.709 0.800 0.800 CB 1.166 6 residues pruned to eliminate duplicates Z: 23 29.140 1.969 0.726 0.860 1.000 0.682 CB 1.344 23 residues pruned to eliminate duplicates Z: 14 19.080 1.726 0.830 0.870 1.000 0.769 CA 1.222 14 residues pruned to eliminate duplicates Z: 41 24.784 1.854 0.733 0.576 0.925 0.700 CB 1.226 41 residues pruned to eliminate duplicates Z: 17 9.279 1.731 0.719 0.328 0.875 0.562 CB 1.076 17 residues pruned to eliminate duplicates Z: 15 10.855 1.708 0.371 0.606 1.000 0.643 CB 1.120 15 residues pruned to eliminate duplicates Z: 13 14.429 1.765 0.409 0.873 1.000 0.750 CB 1.220 13 residues pruned to eliminate duplicates Z: 8 5.553 1.719 0.533 0.478 0.714 0.714 CA 1.140 8 residues pruned to eliminate duplicates Z: 29 17.152 1.799 0.452 0.680 0.893 0.679 CB 1.178 29 residues pruned to eliminate duplicates Z: 9 8.423 1.697 0.639 0.582 1.000 0.875 CB 0.989 Z: 38 21.419 1.786 0.596 0.548 0.892 0.703 CB 1.321 38 residues pruned to eliminate duplicates Z: 22 27.279 1.912 0.889 0.834 0.905 0.429 CB 1.366 22 residues pruned to eliminate duplicates Z: 9 2.602 1.611 -0.009 0.524 0.750 0.625 CB 0.751 Z: 8 6.424 1.609 0.308 0.581 1.000 0.857 CB 1.067 Z: 41 34.957 1.948 0.994 0.493 0.975 0.475 CB 1.469 42 residues pruned to eliminate duplicates Z: 43 40.971 2.047 1.129 0.523 0.952 0.452 CB 1.489 43 residues pruned to eliminate duplicates Z: 9 10.976 1.451 0.742 0.878 1.000 0.625 CB 1.114 9 residues pruned to eliminate duplicates Z: 12 17.868 1.845 0.704 0.896 1.000 1.000 CA 1.227 12 residues pruned to eliminate duplicates Z: 11 14.364 1.717 0.624 0.891 1.000 0.900 CB 1.171 11 residues pruned to eliminate duplicates Z: 20 14.395 1.634 0.598 0.666 1.000 0.474 CB 1.085 20 residues pruned to eliminate duplicates Z: 11 4.705 1.464 0.358 0.475 0.900 0.700 CB 0.853 Z: 11 13.383 1.862 0.447 0.909 1.000 0.800 CB 1.115 11 residues pruned to eliminate duplicates Z: 6 4.855 1.402 1.014 0.413 0.800 0.400 O 1.053 Z: 35 19.551 1.826 0.689 0.453 0.882 0.471 CB 1.292 35 residues pruned to eliminate duplicates Z: 8 11.509 1.647 0.528 0.864 1.000 0.714 CB 1.268 8 residues pruned to eliminate duplicates Z: 11 3.880 1.440 0.480 0.350 0.700 0.400 CB 0.968 6 residues pruned to eliminate duplicates Z: 16 11.638 1.789 0.720 0.411 0.733 0.600 CB 1.462 16 residues pruned to eliminate duplicates Z: 44 26.144 1.904 0.694 0.557 0.860 0.674 CB 1.360 44 residues pruned to eliminate duplicates Z: 13 16.606 1.787 0.771 0.897 0.917 0.667 CB 1.183 13 residues pruned to eliminate duplicates Z: 8 8.012 1.650 0.689 0.858 1.000 0.571 CB 0.800 8 residues pruned to eliminate duplicates Z: 19 15.054 1.844 0.534 0.491 0.889 0.611 CA 1.424 19 residues pruned to eliminate duplicates Z: 11 15.845 1.947 0.984 0.921 1.000 0.800 CB 0.913 11 residues pruned to eliminate duplicates Z: 9 3.405 1.560 0.415 0.317 0.625 0.500 N 1.069 Z: 12 7.937 1.657 0.549 0.508 0.818 0.455 CB 1.131 12 residues pruned to eliminate duplicates Z: 26 14.342 1.677 0.546 0.500 0.840 0.560 CB 1.316 17 residues pruned to eliminate duplicates Z: 15 11.298 1.687 0.486 0.621 1.000 0.643 CB 1.075 14 residues pruned to eliminate duplicates Z: 18 10.395 1.801 0.428 0.582 0.882 0.529 CB 1.027 18 residues pruned to eliminate duplicates Z: 18 10.928 1.821 0.505 0.376 0.824 0.529 CA 1.341 18 residues pruned to eliminate duplicates Z: 24 15.205 1.874 0.587 0.471 0.870 0.565 CB 1.262 24 residues pruned to eliminate duplicates Z: 6 3.478 1.596 0.298 0.749 0.800 0.800 CB 0.751 Z: 23 19.621 1.884 0.403 0.803 0.955 0.773 CA 1.273 23 residues pruned to eliminate duplicates Z: 9 3.727 1.570 0.044 0.629 0.875 0.625 CB 0.814 Z: 22 13.198 1.695 0.729 0.562 0.952 0.381 CB 0.972 22 residues pruned to eliminate duplicates Z: 9 10.414 1.703 0.262 0.907 1.000 0.875 CB 1.217 9 residues pruned to eliminate duplicates Z: 23 24.464 1.908 0.796 0.871 0.955 0.727 CB 1.164 23 residues pruned to eliminate duplicates Z: 34 25.198 1.900 0.584 0.630 0.970 0.636 CB 1.330 34 residues pruned to eliminate duplicates Z: 7 3.229 1.508 0.658 0.522 0.833 0.500 CB 0.619 19 residues pruned to eliminate duplicates Z: 9 11.045 1.741 0.633 0.650 1.000 0.625 CB 1.194 9 residues pruned to eliminate duplicates 11 1.516 1.350 0.377 0.301 0.600 0.400 CB 0.536 ? Z: 9 6.837 1.666 0.383 0.339 1.000 0.875 CA 1.251 9 residues pruned to eliminate duplicates Z: 24 31.241 1.938 0.700 0.877 1.000 0.826 CA 1.436 24 residues pruned to eliminate duplicates Z: 8 9.387 1.843 0.860 0.402 0.857 0.429 CA 1.339 Z: 24 25.772 1.837 0.819 0.843 1.000 0.739 CB 1.197 24 residues pruned to eliminate duplicates Z: 13 14.549 1.833 0.476 0.874 0.917 0.917 CA 1.233 13 residues pruned to eliminate duplicates Z: 7 2.841 1.714 0.332 0.290 0.667 0.333 CA 0.964 Z: 42 39.217 2.049 1.123 0.492 0.902 0.415 CB 1.574 43 residues pruned to eliminate duplicates 7 1.712 1.379 0.668 0.529 0.833 0.333 CB 0.355 ? Z: 6 5.639 1.763 0.702 0.431 0.800 0.600 CA 1.128 Z: 41 29.753 1.936 0.935 0.493 0.875 0.475 CB 1.445 41 residues pruned to eliminate duplicates Z: 13 16.058 1.784 0.574 0.879 1.000 0.833 CB 1.198 13 residues pruned to eliminate duplicates Z: 22 27.141 1.989 0.586 0.901 0.905 0.714 CA 1.481 22 residues pruned to eliminate duplicates Z: 8 10.911 1.897 0.900 0.319 1.000 0.571 CA 1.398 8 residues pruned to eliminate duplicates Z: 31 26.589 1.983 0.890 0.531 0.900 0.633 CB 1.396 31 residues pruned to eliminate duplicates Z: 11 11.242 1.720 0.896 0.550 0.900 0.700 CA 1.154 11 residues pruned to eliminate duplicates Z: 48 26.930 1.867 0.860 0.454 0.809 0.532 CB 1.467 48 residues pruned to eliminate duplicates Z: 25 13.052 1.767 0.696 0.455 0.917 0.417 CB 1.016 25 residues pruned to eliminate duplicates Z: 12 8.916 1.646 0.476 0.498 1.000 0.455 CB 1.110 8 residues pruned to eliminate duplicates Z: 42 31.552 1.931 0.723 0.649 0.976 0.634 CB 1.322 42 residues pruned to eliminate duplicates Z: 8 3.503 1.524 0.175 0.341 1.000 0.429 N 0.879 Z: 10 8.019 1.482 0.355 0.861 0.889 0.556 CA 1.100 10 residues pruned to eliminate duplicates Z: 12 11.569 1.800 0.408 0.764 0.909 0.545 CA 1.199 12 residues pruned to eliminate duplicates Z: 7 4.920 1.512 0.316 0.476 0.833 0.833 CB 1.240 Z: 13 14.496 1.524 0.764 0.759 1.000 0.667 CA 1.236 13 residues pruned to eliminate duplicates Z: 6 3.329 1.553 -0.015 0.467 1.000 0.800 N 1.006 Z: 7 12.054 1.901 0.710 0.598 1.000 0.667 CB 1.379 7 residues pruned to eliminate duplicates Z: 9 4.001 1.533 0.436 0.380 0.750 0.250 CA 0.974 9 residues pruned to eliminate duplicates Z: 12 9.299 1.845 0.627 0.466 0.727 0.364 N 1.330 12 residues pruned to eliminate duplicates Z: 46 36.513 2.003 0.922 0.557 0.956 0.600 CB 1.399 46 residues pruned to eliminate duplicates Z: 29 17.145 1.847 0.706 0.446 0.893 0.607 CB 1.218 29 residues pruned to eliminate duplicates Z: 12 8.942 1.687 0.326 0.673 0.909 0.727 CB 1.129 12 residues pruned to eliminate duplicates Z: 40 35.968 2.012 0.901 0.595 0.949 0.795 CB 1.450 40 residues pruned to eliminate duplicates Z: 6 2.529 1.533 0.256 0.371 0.600 0.400 CA 1.124 Z: 12 13.305 1.724 0.355 0.898 1.000 0.909 CB 1.229 12 residues pruned to eliminate duplicates Z: 6 3.008 1.632 0.684 0.254 0.600 0.400 CB 1.082 5 residues pruned to eliminate duplicates Z: 9 13.606 1.828 0.858 0.897 1.000 0.750 CA 1.014 9 residues pruned to eliminate duplicates Z: 6 5.355 1.722 0.426 0.484 0.800 0.600 CA 1.238 Z: 9 6.851 1.497 0.071 0.882 1.000 0.875 CA 1.093 9 residues pruned to eliminate duplicates Z: 45 33.211 1.998 0.742 0.570 0.932 0.614 CB 1.443 45 residues pruned to eliminate duplicates Z: 8 3.009 1.465 0.454 0.247 0.714 0.429 CB 1.000 Z: 8 7.516 1.540 0.590 0.684 0.857 0.714 CB 1.143 Z: 42 22.329 1.786 0.645 0.573 0.902 0.683 CB 1.225 44 residues pruned to eliminate duplicates Z: 39 20.673 1.837 0.641 0.515 0.921 0.605 CB 1.189 39 residues pruned to eliminate duplicates Z: 26 33.664 2.100 1.040 0.614 0.880 0.680 CB 1.603 26 residues pruned to eliminate duplicates Z: 13 16.031 1.779 1.052 0.510 0.917 0.750 CA 1.369 18 residues pruned to eliminate duplicates Z: 24 40.596 1.987 1.025 0.887 1.000 0.870 CA 1.516 24 residues pruned to eliminate duplicates Z: 34 18.150 1.724 0.418 0.605 0.939 0.667 CB 1.245 34 residues pruned to eliminate duplicates Z: 9 9.258 1.809 0.644 0.779 1.000 0.875 CB 0.861 9 residues pruned to eliminate duplicates Z: 12 16.999 1.840 1.046 0.505 1.000 0.727 CA 1.354 12 residues pruned to eliminate duplicates Z: 21 18.641 1.861 0.362 0.874 0.950 0.850 CA 1.260 21 residues pruned to eliminate duplicates Z: 21 16.276 1.892 0.716 0.437 0.900 0.450 CB 1.329 21 residues pruned to eliminate duplicates Z: 13 16.988 1.599 0.776 0.877 1.000 0.833 CA 1.255 13 residues pruned to eliminate duplicates Z: 6 7.285 1.739 0.585 0.871 1.000 1.000 CB 0.863 6 residues pruned to eliminate duplicates Z: 6 7.017 1.644 0.484 0.842 1.000 0.800 CB 0.959 6 residues pruned to eliminate duplicates Z: 11 11.575 1.653 0.558 0.502 1.000 0.600 CB 1.418 10 residues pruned to eliminate duplicates Z: 7 4.574 1.520 0.019 0.523 1.000 0.500 CB 1.179 Z: 39 30.538 1.929 0.928 0.541 0.842 0.658 CB 1.519 39 residues pruned to eliminate duplicates Z: 14 17.272 1.751 0.664 0.855 1.000 0.846 CB 1.214 14 residues pruned to eliminate duplicates Z: 9 3.077 1.470 0.482 0.432 0.625 0.625 CA 0.857 9 residues pruned to eliminate duplicates Z: 120 46.743 1.925 0.806 0.566 0.916 0.580 CB 1.263 120 residues pruned to eliminate duplicates Z: 42 28.422 1.845 0.838 0.604 0.902 0.732 CB 1.313 42 residues pruned to eliminate duplicates Z: 12 16.778 1.785 0.886 0.913 1.000 0.818 CB 1.063 12 residues pruned to eliminate duplicates Z: 7 2.261 1.739 -0.261 0.342 0.833 0.667 CB 1.023 Z: 23 24.900 1.972 0.441 0.861 1.000 0.909 CA 1.373 23 residues pruned to eliminate duplicates Z: 6 5.808 1.794 0.837 0.462 0.800 0.600 CB 1.024 Z: 12 23.427 1.984 1.144 0.891 1.000 0.818 CB 1.194 12 residues pruned to eliminate duplicates Z: 8 5.437 1.518 0.315 0.822 0.857 0.571 CB 0.909 8 residues pruned to eliminate duplicates Z: 7 2.396 1.538 0.117 0.503 0.833 0.500 CB 0.681 7 residues pruned to eliminate duplicates Z: 10 5.034 1.526 0.343 0.445 1.000 0.444 CB 0.866 8 residues pruned to eliminate duplicates Z: 6 3.284 1.596 0.356 0.294 0.800 0.600 CB 1.069 Z: 23 24.100 1.929 0.511 0.840 1.000 0.864 CB 1.315 23 residues pruned to eliminate duplicates Z: 7 3.669 1.673 0.185 0.298 0.833 0.333 CA 1.136 7 residues pruned to eliminate duplicates 6 1.842 1.108 0.365 0.602 0.800 0.600 CA 0.618 ? Z: 11 5.446 1.482 0.624 0.303 0.800 0.300 N 1.114 Z: 10 4.902 1.597 0.505 0.404 0.778 0.667 CB 0.967 10 residues pruned to eliminate duplicates Z: 8 2.137 1.345 0.284 0.276 0.857 0.429 CB 0.704 8 residues pruned to eliminate duplicates 7 1.562 1.200 0.198 0.249 0.667 0.333 N 0.888 ? Z: 16 6.820 1.777 0.380 0.343 0.867 0.400 CB 0.983 16 residues pruned to eliminate duplicates Z: 13 5.490 1.500 0.663 0.363 0.917 0.917 CB 0.803 11 residues pruned to eliminate duplicates Z: 23 30.255 1.998 0.620 0.873 0.955 0.864 CA 1.520 23 residues pruned to eliminate duplicates 6 1.667 1.490 0.013 0.297 0.800 0.400 O 0.775 ? Z: 14 8.366 1.695 0.131 0.633 0.923 0.615 CB 1.158 14 residues pruned to eliminate duplicates Z: 8 3.000 1.576 0.254 0.342 0.571 0.429 N 1.193 Z: 7 3.834 1.453 0.076 0.439 0.833 0.667 N 1.280 7 residues pruned to eliminate duplicates Z: 43 31.703 1.873 0.946 0.506 0.905 0.571 CB 1.474 43 residues pruned to eliminate duplicates Z: 44 36.245 2.046 0.965 0.551 0.907 0.512 CB 1.442 44 residues pruned to eliminate duplicates Z: 6 5.012 1.703 0.505 0.329 1.000 0.400 CB 1.054 Z: 11 4.399 1.438 0.429 0.325 0.700 0.400 CB 1.173 Z: 15 15.498 1.707 0.660 0.690 1.000 0.643 CB 1.228 15 residues pruned to eliminate duplicates Z: 42 26.455 2.016 0.743 0.500 0.829 0.561 CB 1.417 42 residues pruned to eliminate duplicates Z: 14 18.455 1.471 0.924 0.891 1.000 0.615 CA 1.300 14 residues pruned to eliminate duplicates Z: 9 9.516 1.843 0.528 0.493 0.875 0.625 CB 1.375 9 residues pruned to eliminate duplicates Z: 37 21.683 1.763 0.704 0.600 0.944 0.667 CB 1.158 37 residues pruned to eliminate duplicates Z: 44 27.207 1.911 0.641 0.584 0.907 0.721 CB 1.346 44 residues pruned to eliminate duplicates Z: 80 40.669 1.894 0.693 0.646 0.949 0.658 CB 1.311 80 residues pruned to eliminate duplicates Z: 8 9.758 1.769 0.940 0.552 0.714 0.714 CA 1.431 Z: 7 8.167 1.531 0.320 0.850 1.000 0.833 CB 1.222 7 residues pruned to eliminate duplicates Z: 24 27.480 1.966 0.596 0.880 0.913 0.826 CA 1.449 24 residues pruned to eliminate duplicates Z: 7 6.409 1.515 0.380 0.900 1.000 1.000 CA 0.894 7 residues pruned to eliminate duplicates Z: 8 3.091 1.408 0.596 0.350 0.857 0.429 CB 0.714 8 residues pruned to eliminate duplicates Z: 14 13.913 1.906 0.357 0.851 1.000 1.000 CA 1.104 14 residues pruned to eliminate duplicates Z: 10 3.012 1.498 0.032 0.168 0.778 0.333 CA 1.249 Z: 41 29.672 1.859 0.789 0.593 0.975 0.625 CB 1.324 41 residues pruned to eliminate duplicates Z: 43 33.713 1.922 0.957 0.622 0.952 0.595 CB 1.294 43 residues pruned to eliminate duplicates Z: 26 13.181 1.735 0.579 0.457 0.840 0.640 CB 1.197 26 residues pruned to eliminate duplicates Z: 6 5.586 1.692 0.353 0.823 1.000 0.600 CB 0.825 6 residues pruned to eliminate duplicates Z: 12 19.095 1.894 1.283 0.938 1.000 0.909 CB 0.926 12 residues pruned to eliminate duplicates Z: 21 26.045 2.013 0.402 0.880 1.000 0.950 CA 1.496 21 residues pruned to eliminate duplicates Z: 37 18.080 1.817 0.634 0.406 0.861 0.556 CB 1.301 37 residues pruned to eliminate duplicates Z: 23 34.311 2.028 0.843 0.885 0.955 0.682 CB 1.480 23 residues pruned to eliminate duplicates 6 1.482 1.499 0.478 0.734 0.400 0.400 CB 0.606 ? Z: 59 24.919 1.858 0.603 0.581 0.897 0.586 CB 1.133 60 residues pruned to eliminate duplicates Z: 10 8.155 1.860 0.264 0.654 0.889 0.778 CB 1.127 10 residues pruned to eliminate duplicates Z: 21 23.884 1.961 0.382 0.890 1.000 0.850 CB 1.418 21 residues pruned to eliminate duplicates Z: 6 4.205 1.720 0.384 0.631 0.800 0.600 CB 0.873 6 residues pruned to eliminate duplicates Z: 34 28.351 1.890 0.701 0.736 0.909 0.697 CB 1.367 34 residues pruned to eliminate duplicates Z: 8 2.462 1.336 0.971 0.212 0.571 0.286 CB 0.869 Z: 8 7.333 1.544 0.637 0.822 1.000 0.857 CB 0.830 8 residues pruned to eliminate duplicates Z: 9 4.516 1.547 0.475 0.234 1.000 0.500 CB 0.953 9 residues pruned to eliminate duplicates 7 1.302 1.623 0.091 0.235 0.333 0.333 CB 1.225 ? Z: 13 15.855 1.554 0.747 0.896 1.000 0.750 N 1.207 13 residues pruned to eliminate duplicates Z: 6 5.963 1.691 0.500 0.559 0.800 0.400 CB 1.241 6 residues pruned to eliminate duplicates Z: 16 9.393 1.721 0.329 0.552 0.933 0.467 CB 1.080 16 residues pruned to eliminate duplicates Z: 22 28.467 1.925 0.969 0.853 0.905 0.667 CB 1.339 22 residues pruned to eliminate duplicates Z: 15 20.782 2.007 0.974 0.605 0.857 0.714 CB 1.479 15 residues pruned to eliminate duplicates Z: 9 6.439 1.440 0.147 0.855 1.000 0.875 CB 1.017 9 residues pruned to eliminate duplicates Z: 9 2.633 1.549 0.033 0.296 0.750 0.625 CB 0.974 Z: 35 14.523 1.701 0.655 0.511 0.912 0.412 CB 0.960 43 residues pruned to eliminate duplicates Z: 16 9.608 1.702 0.322 0.474 0.867 0.667 CB 1.306 16 residues pruned to eliminate duplicates Z: 24 29.058 2.008 0.586 0.857 1.000 0.913 CA 1.403 24 residues pruned to eliminate duplicates Z: 13 10.285 1.709 0.700 0.436 0.833 0.500 CB 1.310 13 residues pruned to eliminate duplicates Z: 7 5.655 1.611 0.273 0.502 0.833 0.833 N 1.350 Z: 7 3.643 1.375 1.025 0.563 0.667 0.667 CB 0.753 Z: 6 5.726 1.587 0.457 0.776 0.800 0.600 CB 1.085 6 residues pruned to eliminate duplicates 6 1.304 1.387 -0.049 0.433 0.600 0.400 CB 0.790 ? Z: 7 6.102 1.612 0.445 0.578 0.833 0.667 CB 1.190 Z: 7 7.395 1.549 0.398 0.825 1.000 0.833 N 1.052 Z: 31 20.846 1.835 0.849 0.660 0.867 0.567 CB 1.116 31 residues pruned to eliminate duplicates Z: 8 4.849 1.463 0.526 0.532 0.714 0.429 CB 1.114 Z: 24 26.969 1.871 0.722 0.835 0.957 0.870 CB 1.368 24 residues pruned to eliminate duplicates Z: 6 4.034 1.553 0.207 0.541 0.800 0.600 CB 1.155 6 residues pruned to eliminate duplicates Z: 12 14.652 1.804 0.716 0.861 1.000 0.909 CB 1.049 12 residues pruned to eliminate duplicates Z: 19 11.956 1.797 0.484 0.413 0.944 0.611 CA 1.225 19 residues pruned to eliminate duplicates Z: 22 27.216 1.977 0.746 0.884 0.952 0.524 CB 1.305 22 residues pruned to eliminate duplicates Z: 14 10.438 1.770 0.526 0.678 0.846 0.538 CB 1.075 14 residues pruned to eliminate duplicates Z: 22 14.867 1.964 0.559 0.369 0.810 0.429 CB 1.507 25 residues pruned to eliminate duplicates Z: 17 14.416 1.894 0.671 0.435 0.875 0.375 CB 1.392 17 residues pruned to eliminate duplicates Z: 9 8.760 1.751 0.657 0.590 1.000 0.875 CB 0.979 6 residues pruned to eliminate duplicates Z: 8 6.070 1.698 0.567 0.511 0.857 0.571 N 0.995 9 residues pruned to eliminate duplicates Z: 17 8.064 1.634 0.901 0.475 0.875 0.500 CB 0.761 8 1.804 1.218 0.272 0.205 0.714 0.429 O 0.874 ? Z: 28 31.044 1.978 0.638 0.797 0.963 0.778 CA 1.476 28 residues pruned to eliminate duplicates Z: 7 2.782 1.592 0.771 0.299 0.500 0.500 N 1.008 Z: 8 3.046 1.473 0.461 0.265 0.714 0.429 CB 0.979 Z: 6 4.254 1.530 0.741 0.288 0.800 0.400 CB 1.132 Z: 46 22.479 1.791 0.673 0.578 0.867 0.622 CB 1.197 46 residues pruned to eliminate duplicates Z: 23 33.485 2.004 0.834 0.861 1.000 0.727 CA 1.427 23 residues pruned to eliminate duplicates Z: 7 2.739 1.615 0.243 0.398 1.000 0.833 CB 0.621 Z: 8 6.788 1.747 0.316 0.594 0.857 0.714 CB 1.190 8 residues pruned to eliminate duplicates Z: 11 6.567 1.491 0.899 0.443 0.800 0.500 CB 0.972 10 residues pruned to eliminate duplicates Z: 8 4.449 1.474 0.358 0.545 0.857 0.571 CA 0.938 8 residues pruned to eliminate duplicates 6 0.975 1.515 0.256 0.280 0.600 0.400 CB 0.490 ? Z: 19 16.565 1.859 0.721 0.580 0.833 0.722 CB 1.356 19 residues pruned to eliminate duplicates Z: 21 12.469 1.764 0.825 0.384 0.800 0.550 CB 1.223 21 residues pruned to eliminate duplicates Z: 14 22.004 1.759 1.103 0.905 1.000 0.692 CA 1.174 14 residues pruned to eliminate duplicates Z: 14 18.346 1.647 0.748 0.922 1.000 0.923 CA 1.242 14 residues pruned to eliminate duplicates Z: 12 18.064 1.807 0.792 0.908 1.000 0.818 CB 1.194 12 residues pruned to eliminate duplicates Z: 7 7.841 1.766 0.771 0.679 0.667 0.500 CB 1.302 7 residues pruned to eliminate duplicates Z: 22 19.166 1.891 0.565 0.615 0.952 0.524 CA 1.331 22 residues pruned to eliminate duplicates Z: 12 31.593 2.176 1.134 0.876 1.000 0.818 CA 1.491 12 residues pruned to eliminate duplicates Z: 6 2.294 1.306 0.089 0.618 1.000 0.400 CA 0.645 Z: 54 28.455 1.880 0.626 0.598 0.943 0.623 CB 1.235 54 residues pruned to eliminate duplicates Z: 46 23.104 1.829 0.658 0.535 0.844 0.600 CB 1.300 42 residues pruned to eliminate duplicates Z: 42 34.931 2.057 1.014 0.471 0.878 0.463 CB 1.545 42 residues pruned to eliminate duplicates Z: 14 11.243 1.760 0.831 0.351 0.923 0.462 CA 1.233 20 residues pruned to eliminate duplicates Z: 24 33.471 1.911 1.014 0.865 0.957 0.565 CB 1.389 24 residues pruned to eliminate duplicates Z: 43 16.513 1.744 0.670 0.554 0.857 0.548 CB 0.968 43 residues pruned to eliminate duplicates Z: 8 4.976 1.648 0.550 0.411 0.714 0.429 CA 1.131 Z: 9 4.523 1.604 0.765 0.503 0.875 0.750 CB 0.644 Z: 27 14.005 1.842 0.679 0.425 0.885 0.538 CB 1.085 27 residues pruned to eliminate duplicates Z: 44 30.552 1.938 0.784 0.593 0.930 0.605 CB 1.326 44 residues pruned to eliminate duplicates Z: 36 21.090 1.753 0.698 0.539 0.943 0.657 CB 1.223 36 residues pruned to eliminate duplicates Z: 38 16.819 1.834 0.523 0.410 0.892 0.486 CB 1.220 38 residues pruned to eliminate duplicates Z: 10 2.161 1.428 0.055 0.302 0.667 0.667 N 0.894 Z: 12 11.618 1.498 1.132 0.754 0.818 0.364 CB 1.069 12 residues pruned to eliminate duplicates Z: 10 15.515 1.690 1.083 0.805 0.889 0.333 CA 1.266 10 residues pruned to eliminate duplicates Z: 9 9.146 1.797 0.813 0.403 0.875 0.750 CA 1.257 9 residues pruned to eliminate duplicates Z: 10 5.236 1.599 0.420 0.248 0.778 0.333 CB 1.321 Z: 41 23.531 1.864 0.580 0.570 0.900 0.725 CA 1.312 41 residues pruned to eliminate duplicates 1278 residues left after pruning, divided into chains as follows: A: 39 B: 75 C: 38 D: 39 E: 136 F: 12 G: 39 H: 41 I: 11 J: 39 K: 41 L: 9 M: 37 N: 42 O: 6 P: 75 Q: 42 R: 39 S: 148 T: 82 U: 137 V: 41 W: 103 X: 7 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 42.28 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.503, Connect. = 0.749 for dens.mod. cycle 1 = 0.300, Contrast = 0.594, Connect. = 0.775 for dens.mod. cycle 2 = 0.300, Contrast = 0.728, Connect. = 0.795 for dens.mod. cycle 3 = 0.300, Contrast = 0.751, Connect. = 0.797 for dens.mod. cycle 4 = 0.300, Contrast = 0.770, Connect. = 0.799 for dens.mod. cycle 5 = 0.300, Contrast = 0.778, Connect. = 0.800 for dens.mod. cycle 6 = 0.300, Contrast = 0.785, Connect. = 0.801 for dens.mod. cycle 7 = 0.300, Contrast = 0.788, Connect. = 0.802 for dens.mod. cycle 8 = 0.300, Contrast = 0.790, Connect. = 0.803 for dens.mod. cycle 9 = 0.300, Contrast = 0.791, Connect. = 0.803 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 5744 peaks > 0.5 sigma used to seed fragment search Space for about 2008 unique residues taking solvent into account 1411 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 23.622 1.990 1.000 0.770 0.923 0.769 CA 1.404 B: 40 27.891 2.019 0.709 0.626 0.923 0.641 CB 1.246 C: 23 33.770 2.074 0.648 0.898 1.000 0.864 CA 1.507 D: 12 23.417 2.015 0.802 0.860 1.000 0.909 CA 1.429 E: 13 29.581 2.084 0.958 0.874 1.000 0.833 CA 1.524 F: 14 25.643 2.039 0.905 0.816 0.923 0.769 CA 1.507 13 residues pruned to eliminate duplicates G: 15 31.323 1.945 1.245 0.852 1.000 0.714 CB 1.417 14 residues pruned to eliminate duplicates H: 14 32.064 1.965 1.316 0.826 1.000 0.846 CA 1.474 15 residues pruned to eliminate duplicates I: 13 24.207 1.999 0.756 0.825 1.000 0.833 CA 1.503 J: 12 29.456 2.173 0.961 0.846 1.000 0.545 CA 1.548 14 residues pruned to eliminate duplicates K: 13 26.348 1.949 1.086 0.858 1.000 0.583 CA 1.378 L: 12 22.541 2.004 0.861 0.893 0.909 0.909 CA 1.440 13 residues pruned to eliminate duplicates M: 12 38.749 2.161 1.300 0.928 1.000 1.000 CB 1.647 14 residues pruned to eliminate duplicates N: 12 20.777 2.059 0.747 0.910 1.000 1.000 CA 1.235 12 residues pruned to eliminate duplicates O: 14 26.794 2.054 0.778 0.842 1.000 0.846 CA 1.516 14 residues pruned to eliminate duplicates P: 14 24.126 2.023 0.751 0.872 1.000 0.846 CA 1.377 13 residues pruned to eliminate duplicates Q: 7 5.553 1.694 0.351 0.335 1.000 0.667 N 1.186 R: 13 21.859 2.086 0.594 0.873 1.000 0.750 CA 1.381 13 residues pruned to eliminate duplicates S: 13 23.810 2.141 0.744 0.870 1.000 1.000 CA 1.344 13 residues pruned to eliminate duplicates T: 41 37.580 2.156 0.836 0.590 0.900 0.625 CB 1.530 12 residues pruned to eliminate duplicates U: 24 34.057 1.993 0.829 0.885 1.000 0.696 CA 1.407 V: 12 26.927 2.178 0.838 0.869 1.000 0.909 CA 1.481 12 residues pruned to eliminate duplicates W: 13 19.826 1.961 0.847 0.817 1.000 0.667 CA 1.200 13 residues pruned to eliminate duplicates X: 11 28.117 2.220 0.929 0.867 1.000 0.800 CA 1.519 11 residues pruned to eliminate duplicates Y: 14 28.150 1.967 1.253 0.835 1.000 0.692 CA 1.320 14 residues pruned to eliminate duplicates Z: 13 21.420 1.963 1.020 0.887 1.000 0.750 CB 1.124 Z: 9 11.168 1.804 0.874 0.704 0.875 0.500 CA 1.109 Z: 12 17.176 1.801 0.498 0.851 1.000 0.909 CB 1.421 Z: 12 22.038 2.117 0.648 0.856 1.000 0.909 CA 1.405 Z: 43 36.852 2.072 1.064 0.473 0.881 0.548 CB 1.551 14 residues pruned to eliminate duplicates Z: 13 32.261 2.119 1.184 0.856 1.000 0.750 CA 1.484 12 residues pruned to eliminate duplicates Z: 12 22.042 1.981 0.858 0.920 1.000 0.909 CB 1.272 Z: 12 28.310 2.114 0.875 0.911 1.000 0.818 CA 1.527 12 residues pruned to eliminate duplicates Z: 13 22.893 1.996 0.923 0.858 1.000 0.833 CA 1.267 12 residues pruned to eliminate duplicates Z: 14 26.946 2.039 0.940 0.861 0.923 0.923 CA 1.504 Z: 13 29.491 2.093 0.894 0.879 1.000 0.833 CA 1.558 13 residues pruned to eliminate duplicates Z: 38 16.441 1.894 0.411 0.408 0.892 0.541 CB 1.249 Z: 24 30.691 2.009 0.665 0.889 1.000 0.826 CA 1.377 24 residues pruned to eliminate duplicates Z: 7 15.387 1.919 0.907 0.786 0.833 0.833 CA 1.602 7 residues pruned to eliminate duplicates Z: 12 20.207 2.018 0.756 0.860 1.000 0.818 CA 1.264 12 residues pruned to eliminate duplicates Z: 14 26.124 1.912 1.025 0.846 1.000 0.923 CA 1.391 12 residues pruned to eliminate duplicates Z: 23 36.861 2.078 0.814 0.896 1.000 0.864 CA 1.494 23 residues pruned to eliminate duplicates Z: 12 21.079 1.945 1.182 0.852 1.000 0.727 CB 1.108 Z: 24 32.545 2.022 0.757 0.890 1.000 0.870 CA 1.375 Z: 11 20.185 2.032 0.965 0.904 1.000 0.800 CB 1.139 11 residues pruned to eliminate duplicates Z: 14 25.351 2.026 0.816 0.885 0.923 0.846 CA 1.495 14 residues pruned to eliminate duplicates Z: 12 20.618 2.004 0.855 0.890 1.000 0.909 CB 1.203 12 residues pruned to eliminate duplicates Z: 6 10.682 1.965 0.575 0.794 0.800 0.800 CA 1.491 Z: 12 34.696 2.192 1.167 0.883 1.000 0.727 CA 1.592 12 residues pruned to eliminate duplicates Z: 15 15.233 1.790 0.705 0.841 0.929 0.786 CB 1.071 Z: 23 28.867 2.011 0.682 0.880 0.955 0.682 CA 1.381 23 residues pruned to eliminate duplicates Z: 6 5.375 1.588 0.269 0.829 1.000 0.800 CA 0.898 Z: 13 15.258 1.927 0.834 0.881 1.000 0.917 CB 0.902 13 residues pruned to eliminate duplicates Z: 11 17.974 1.989 1.144 0.915 0.900 0.900 CB 1.047 12 residues pruned to eliminate duplicates Z: 24 32.573 2.056 0.775 0.864 0.957 0.826 CA 1.426 24 residues pruned to eliminate duplicates Z: 15 25.010 1.935 0.959 0.864 0.929 0.714 CA 1.393 15 residues pruned to eliminate duplicates Z: 10 18.455 1.898 1.066 0.903 0.889 0.667 CB 1.257 Z: 64 32.357 1.962 0.562 0.604 0.905 0.603 CB 1.331 28 residues pruned to eliminate duplicates Z: 12 27.809 2.179 0.850 0.872 1.000 0.909 CA 1.516 12 residues pruned to eliminate duplicates Z: 13 24.379 2.038 0.713 0.859 1.000 1.000 CA 1.483 13 residues pruned to eliminate duplicates Z: 15 25.226 2.029 0.879 0.800 1.000 0.786 CA 1.360 15 residues pruned to eliminate duplicates Z: 13 19.527 1.887 0.765 0.854 1.000 0.833 CB 1.250 Z: 41 32.292 2.124 0.760 0.517 0.900 0.600 CB 1.493 24 residues pruned to eliminate duplicates Z: 12 19.534 1.937 0.959 0.889 1.000 0.909 CB 1.117 12 residues pruned to eliminate duplicates Z: 22 36.097 2.070 0.889 0.893 0.952 0.714 CB 1.519 22 residues pruned to eliminate duplicates Z: 24 34.726 2.002 0.849 0.886 1.000 0.565 CB 1.412 24 residues pruned to eliminate duplicates Z: 12 17.365 1.909 0.652 0.897 1.000 0.909 CB 1.188 12 residues pruned to eliminate duplicates Z: 13 20.067 1.762 0.590 0.849 1.000 0.667 N 1.533 Z: 42 25.245 2.021 0.724 0.552 0.854 0.610 CB 1.260 15 residues pruned to eliminate duplicates Z: 13 14.294 1.891 0.580 0.855 0.917 0.750 CA 1.111 13 residues pruned to eliminate duplicates Z: 43 25.656 1.945 0.884 0.516 0.905 0.571 CB 1.175 43 residues pruned to eliminate duplicates Z: 29 22.965 2.029 0.310 0.715 0.964 0.893 CA 1.393 29 residues pruned to eliminate duplicates Z: 11 16.481 2.140 0.686 0.916 1.000 0.900 CB 1.020 11 residues pruned to eliminate duplicates Z: 13 24.521 1.966 0.890 0.840 1.000 0.833 CB 1.422 13 residues pruned to eliminate duplicates Z: 12 18.662 1.900 0.575 0.857 0.909 0.909 CA 1.525 13 residues pruned to eliminate duplicates Z: 12 17.232 1.963 0.531 0.898 1.000 0.727 CB 1.237 12 residues pruned to eliminate duplicates Z: 11 29.704 1.981 1.382 0.930 1.000 0.900 CA 1.392 12 residues pruned to eliminate duplicates Z: 51 29.455 1.940 0.860 0.446 0.880 0.580 CB 1.387 78 residues pruned to eliminate duplicates Z: 92 39.990 1.974 0.648 0.562 0.934 0.604 CB 1.299 23 residues pruned to eliminate duplicates Z: 24 37.061 2.024 0.981 0.872 1.000 0.826 CA 1.404 29 residues pruned to eliminate duplicates Z: 12 18.651 1.971 0.573 0.901 1.000 1.000 CA 1.295 12 residues pruned to eliminate duplicates Z: 13 17.246 1.996 0.847 0.762 0.833 0.667 CB 1.284 13 residues pruned to eliminate duplicates Z: 12 29.005 2.155 1.024 0.877 1.000 0.909 CA 1.456 Z: 34 32.697 2.048 0.738 0.679 0.939 0.758 CB 1.444 32 residues pruned to eliminate duplicates Z: 29 17.044 1.957 0.538 0.400 0.893 0.536 CB 1.332 Z: 12 21.855 2.016 0.746 0.877 0.909 0.818 CA 1.494 12 residues pruned to eliminate duplicates Z: 47 27.054 1.893 0.595 0.588 0.957 0.696 CB 1.270 Z: 23 31.381 2.032 0.630 0.883 1.000 0.773 CA 1.460 23 residues pruned to eliminate duplicates Z: 42 34.318 2.085 0.977 0.498 0.902 0.415 CB 1.443 15 residues pruned to eliminate duplicates Z: 24 36.106 1.993 1.095 0.854 1.000 0.609 CB 1.332 24 residues pruned to eliminate duplicates Z: 23 28.705 1.968 0.817 0.853 0.909 0.727 CB 1.392 Z: 8 5.182 1.627 0.360 0.599 1.000 0.571 CB 0.806 Z: 11 16.937 1.967 0.738 0.926 1.000 0.800 CB 1.098 11 residues pruned to eliminate duplicates Z: 51 35.633 1.999 0.614 0.668 0.980 0.700 CA 1.365 45 residues pruned to eliminate duplicates Z: 14 19.641 1.854 0.668 0.893 1.000 0.846 CB 1.264 14 residues pruned to eliminate duplicates Z: 13 28.342 1.968 1.094 0.935 1.000 0.917 CA 1.384 13 residues pruned to eliminate duplicates Z: 23 26.752 2.062 0.595 0.850 0.955 0.909 CA 1.345 23 residues pruned to eliminate duplicates Z: 13 31.061 2.090 1.027 0.877 1.000 0.833 CA 1.537 13 residues pruned to eliminate duplicates Z: 13 30.746 2.055 1.300 0.896 1.000 1.000 CA 1.345 13 residues pruned to eliminate duplicates Z: 9 13.870 1.867 1.001 0.458 1.000 0.375 CB 1.371 Z: 10 11.863 1.908 0.674 0.602 1.000 0.778 CB 1.124 Z: 43 29.369 2.048 0.586 0.549 0.976 0.524 CA 1.362 14 residues pruned to eliminate duplicates Z: 12 21.407 1.946 1.220 0.893 1.000 0.818 CB 1.073 12 residues pruned to eliminate duplicates Z: 14 18.128 1.903 0.845 0.817 0.923 0.769 CA 1.178 14 residues pruned to eliminate duplicates Z: 22 23.159 1.989 0.448 0.816 1.000 0.714 CA 1.334 Z: 12 23.971 2.120 0.917 0.867 0.909 0.727 CA 1.430 12 residues pruned to eliminate duplicates Z: 22 21.740 1.925 0.339 0.865 1.000 0.762 CA 1.348 22 residues pruned to eliminate duplicates Z: 41 17.258 1.817 0.569 0.400 0.900 0.450 CB 1.182 38 residues pruned to eliminate duplicates Z: 12 17.769 2.015 0.547 0.913 1.000 0.909 CB 1.217 12 residues pruned to eliminate duplicates Z: 24 28.988 2.009 0.644 0.845 1.000 0.826 CA 1.361 24 residues pruned to eliminate duplicates Z: 13 23.654 2.007 1.063 0.832 1.000 0.917 CB 1.238 13 residues pruned to eliminate duplicates Z: 14 17.035 1.912 0.608 0.816 0.923 0.692 CA 1.265 14 residues pruned to eliminate duplicates Z: 24 28.602 1.988 0.700 0.896 0.957 0.870 CA 1.322 24 residues pruned to eliminate duplicates Z: 22 31.093 2.031 0.998 0.904 0.952 0.762 CB 1.250 22 residues pruned to eliminate duplicates Z: 37 37.270 2.067 0.937 0.697 0.972 0.639 CB 1.333 24 residues pruned to eliminate duplicates Z: 23 25.584 2.056 0.462 0.873 0.955 0.864 CA 1.385 23 residues pruned to eliminate duplicates Z: 12 20.084 1.896 0.576 0.854 1.000 0.818 CA 1.496 12 residues pruned to eliminate duplicates Z: 46 23.458 1.920 0.444 0.527 0.889 0.667 CA 1.382 43 residues pruned to eliminate duplicates Z: 13 29.278 2.078 0.972 0.851 1.000 0.750 CA 1.526 13 residues pruned to eliminate duplicates Z: 7 5.257 1.703 0.870 0.583 0.833 0.500 CB 0.747 Z: 23 33.454 2.068 0.835 0.882 1.000 0.818 CA 1.360 23 residues pruned to eliminate duplicates Z: 13 17.972 1.819 0.633 0.831 0.917 0.750 CA 1.432 13 residues pruned to eliminate duplicates Z: 18 20.020 1.855 0.805 0.744 0.882 0.765 CB 1.321 18 residues pruned to eliminate duplicates Z: 14 28.036 2.013 1.158 0.856 0.923 0.538 CA 1.430 14 residues pruned to eliminate duplicates Z: 35 25.028 1.989 0.478 0.622 0.971 0.706 CA 1.341 35 residues pruned to eliminate duplicates Z: 23 31.798 2.080 0.654 0.897 1.000 0.955 CA 1.410 23 residues pruned to eliminate duplicates Z: 41 32.563 2.045 0.771 0.569 0.925 0.700 CB 1.437 53 residues pruned to eliminate duplicates Z: 68 34.738 1.960 0.614 0.615 0.925 0.582 CB 1.300 37 residues pruned to eliminate duplicates Z: 14 22.291 1.764 0.899 0.916 1.000 0.769 CA 1.303 12 residues pruned to eliminate duplicates Z: 14 18.076 1.836 0.563 0.762 1.000 0.692 CA 1.385 14 residues pruned to eliminate duplicates Z: 44 21.319 1.937 0.663 0.399 0.907 0.535 CB 1.237 29 residues pruned to eliminate duplicates Z: 13 18.688 1.862 0.577 0.871 1.000 0.917 CA 1.341 13 residues pruned to eliminate duplicates Z: 24 36.529 2.059 0.876 0.877 1.000 0.739 CA 1.432 24 residues pruned to eliminate duplicates Z: 24 35.778 2.013 1.008 0.867 0.957 0.522 CB 1.412 24 residues pruned to eliminate duplicates Z: 12 12.214 1.561 0.795 0.793 0.909 0.636 CB 1.118 Z: 33 31.361 2.067 0.595 0.724 0.969 0.719 CA 1.418 33 residues pruned to eliminate duplicates Z: 19 11.905 1.814 0.805 0.356 0.778 0.333 CB 1.288 Z: 23 28.034 2.026 0.582 0.871 1.000 0.909 CA 1.360 23 residues pruned to eliminate duplicates Z: 13 23.400 2.068 0.675 0.839 1.000 0.750 CB 1.457 13 residues pruned to eliminate duplicates Z: 73 34.764 1.944 0.606 0.607 0.917 0.653 CB 1.294 73 residues pruned to eliminate duplicates Z: 26 32.291 2.093 0.601 0.807 0.960 0.880 CA 1.536 26 residues pruned to eliminate duplicates Z: 12 24.205 2.036 0.974 0.901 1.000 1.000 CA 1.296 12 residues pruned to eliminate duplicates Z: 11 12.254 1.642 0.686 0.840 1.000 0.800 CB 1.044 11 residues pruned to eliminate duplicates Z: 27 24.213 1.996 0.530 0.751 0.923 0.769 CA 1.346 27 residues pruned to eliminate duplicates Z: 11 10.844 1.646 0.213 0.907 1.000 0.900 CB 1.221 Z: 50 28.409 1.968 0.590 0.522 0.898 0.612 CB 1.414 11 residues pruned to eliminate duplicates Z: 8 8.386 1.647 0.431 0.489 1.000 0.714 CA 1.360 Z: 11 21.249 1.995 0.875 0.931 1.000 0.800 CB 1.255 11 residues pruned to eliminate duplicates Z: 12 15.994 1.852 0.449 0.912 0.909 0.909 CA 1.400 12 residues pruned to eliminate duplicates Z: 14 21.549 1.860 0.988 0.774 1.000 0.538 CA 1.269 13 residues pruned to eliminate duplicates Z: 23 35.366 2.082 0.965 0.859 0.909 0.773 CB 1.492 23 residues pruned to eliminate duplicates Z: 14 30.057 2.001 1.242 0.824 1.000 0.692 CA 1.404 14 residues pruned to eliminate duplicates Z: 23 29.385 2.076 0.506 0.877 1.000 0.773 CA 1.455 23 residues pruned to eliminate duplicates Z: 23 31.598 1.988 0.722 0.890 1.000 0.773 CB 1.415 22 residues pruned to eliminate duplicates Z: 22 30.405 1.970 0.800 0.891 1.000 0.667 CB 1.346 22 residues pruned to eliminate duplicates Z: 9 12.024 1.786 0.790 0.702 0.875 0.625 CA 1.264 9 residues pruned to eliminate duplicates Z: 12 27.220 2.118 0.874 0.892 1.000 0.818 CA 1.485 Z: 12 25.461 2.107 0.890 0.908 0.909 0.818 CA 1.506 12 residues pruned to eliminate duplicates Z: 31 16.495 1.907 0.564 0.404 0.900 0.500 CB 1.242 31 residues pruned to eliminate duplicates Z: 23 26.836 2.000 0.581 0.856 1.000 0.773 CB 1.335 23 residues pruned to eliminate duplicates Z: 22 28.666 2.043 0.693 0.877 0.952 0.857 CA 1.378 22 residues pruned to eliminate duplicates Z: 14 26.149 2.019 0.987 0.893 0.923 0.846 CB 1.405 14 residues pruned to eliminate duplicates Z: 6 10.328 1.793 0.414 0.830 1.000 0.800 CB 1.370 Z: 24 36.362 2.059 0.829 0.864 1.000 0.739 CA 1.476 24 residues pruned to eliminate duplicates Z: 6 6.350 1.841 0.400 0.605 0.800 0.600 N 1.245 6 residues pruned to eliminate duplicates Z: 23 26.565 2.048 0.545 0.891 0.955 0.955 CA 1.347 23 residues pruned to eliminate duplicates Z: 24 33.289 2.012 0.836 0.878 1.000 0.870 CA 1.363 24 residues pruned to eliminate duplicates Z: 14 26.853 1.971 0.842 0.922 1.000 0.538 CA 1.442 14 residues pruned to eliminate duplicates Z: 32 20.511 1.873 0.401 0.663 0.903 0.677 CA 1.336 32 residues pruned to eliminate duplicates Z: 13 32.814 2.118 1.094 0.911 1.000 0.917 CA 1.514 13 residues pruned to eliminate duplicates Z: 12 20.041 1.883 0.785 0.903 0.909 0.727 CA 1.410 12 residues pruned to eliminate duplicates Z: 24 27.647 1.981 0.527 0.872 1.000 0.826 CA 1.389 24 residues pruned to eliminate duplicates Z: 12 16.474 1.839 0.722 0.921 1.000 0.818 CB 1.104 11 residues pruned to eliminate duplicates Z: 14 21.897 2.037 0.870 0.796 0.923 0.769 CA 1.332 14 residues pruned to eliminate duplicates Z: 11 11.045 1.739 0.243 0.851 1.000 0.900 CA 1.196 11 residues pruned to eliminate duplicates Z: 15 23.401 1.975 0.705 0.874 1.000 0.857 CA 1.352 15 residues pruned to eliminate duplicates Z: 19 15.844 1.995 0.763 0.380 0.833 0.389 CB 1.448 12 residues pruned to eliminate duplicates Z: 27 15.179 1.939 0.723 0.430 0.731 0.615 CB 1.311 27 residues pruned to eliminate duplicates Z: 14 22.981 1.957 0.892 0.829 1.000 0.692 CA 1.295 14 residues pruned to eliminate duplicates Z: 41 18.683 1.928 0.573 0.424 0.825 0.625 CB 1.277 Z: 24 31.844 1.971 0.772 0.880 1.000 0.696 CA 1.377 24 residues pruned to eliminate duplicates Z: 38 35.513 2.067 0.720 0.727 1.000 0.622 CB 1.337 38 residues pruned to eliminate duplicates Z: 13 21.825 1.950 0.955 0.852 0.917 0.500 CB 1.333 13 residues pruned to eliminate duplicates Z: 15 17.223 1.838 0.663 0.746 0.929 0.786 CA 1.302 15 residues pruned to eliminate duplicates Z: 37 21.395 1.924 0.619 0.457 0.889 0.639 CB 1.346 7 residues pruned to eliminate duplicates Z: 23 23.280 1.897 0.494 0.856 1.000 0.773 CB 1.292 23 residues pruned to eliminate duplicates Z: 56 28.961 1.964 0.731 0.538 0.927 0.527 CB 1.193 54 residues pruned to eliminate duplicates Z: 41 21.016 1.970 0.678 0.431 0.925 0.550 CB 1.166 41 residues pruned to eliminate duplicates Z: 11 15.910 1.892 0.970 0.909 1.000 0.900 CB 0.958 10 residues pruned to eliminate duplicates Z: 13 18.718 1.668 0.723 0.896 1.000 0.917 N 1.346 13 residues pruned to eliminate duplicates Z: 12 21.518 2.112 0.879 0.934 1.000 0.909 CB 1.140 12 residues pruned to eliminate duplicates Z: 9 11.215 1.711 0.580 0.727 1.000 0.750 N 1.195 9 residues pruned to eliminate duplicates Z: 33 34.631 2.067 0.763 0.737 0.938 0.812 CB 1.448 33 residues pruned to eliminate duplicates Z: 53 26.116 1.951 0.450 0.578 0.846 0.654 CA 1.403 53 residues pruned to eliminate duplicates Z: 47 33.317 1.976 0.669 0.611 0.935 0.674 CA 1.434 39 residues pruned to eliminate duplicates Z: 42 30.646 1.980 0.711 0.603 0.902 0.585 CB 1.420 42 residues pruned to eliminate duplicates Z: 42 32.371 1.977 0.682 0.573 0.951 0.659 CB 1.490 42 residues pruned to eliminate duplicates Z: 23 23.272 1.939 0.353 0.905 1.000 1.000 CB 1.346 23 residues pruned to eliminate duplicates Z: 22 30.125 1.968 0.836 0.890 1.000 0.714 CB 1.309 23 residues pruned to eliminate duplicates Z: 24 36.722 1.970 0.938 0.880 1.000 0.696 CA 1.454 24 residues pruned to eliminate duplicates Z: 50 29.946 1.955 0.612 0.551 0.939 0.633 CB 1.375 50 residues pruned to eliminate duplicates Z: 24 27.322 1.989 0.677 0.849 0.957 0.826 CA 1.323 24 residues pruned to eliminate duplicates Z: 32 35.955 2.096 0.719 0.774 0.968 0.742 CA 1.454 32 residues pruned to eliminate duplicates Z: 24 34.323 2.028 0.809 0.867 1.000 0.783 CA 1.428 35 residues pruned to eliminate duplicates Z: 23 36.078 2.071 0.810 0.874 1.000 0.727 CA 1.493 24 residues pruned to eliminate duplicates Z: 14 17.542 1.874 0.868 0.841 1.000 0.769 CB 1.036 14 residues pruned to eliminate duplicates Z: 46 31.141 2.023 0.725 0.613 0.867 0.667 CB 1.379 47 residues pruned to eliminate duplicates Z: 43 32.437 1.978 0.763 0.598 0.929 0.690 CB 1.408 42 residues pruned to eliminate duplicates Z: 7 5.403 1.898 0.112 0.695 0.833 0.833 CB 1.050 7 residues pruned to eliminate duplicates Z: 13 21.070 1.964 0.805 0.827 1.000 0.833 CA 1.293 13 residues pruned to eliminate duplicates Z: 24 16.389 2.020 0.751 0.344 0.870 0.522 CB 1.315 24 residues pruned to eliminate duplicates Z: 43 37.660 2.094 0.999 0.524 0.929 0.381 CB 1.460 43 residues pruned to eliminate duplicates Z: 23 34.159 2.086 0.725 0.874 1.000 0.864 CA 1.473 23 residues pruned to eliminate duplicates Z: 22 22.814 1.994 0.435 0.852 1.000 0.857 CA 1.287 22 residues pruned to eliminate duplicates Z: 6 9.737 1.778 0.961 0.817 0.800 0.600 CA 1.185 6 residues pruned to eliminate duplicates Z: 22 28.548 1.987 0.751 0.890 0.952 0.905 CB 1.353 22 residues pruned to eliminate duplicates Z: 23 27.581 1.976 0.597 0.831 1.000 0.636 CB 1.400 23 residues pruned to eliminate duplicates Z: 24 20.917 1.918 0.620 0.540 0.957 0.348 CB 1.411 24 residues pruned to eliminate duplicates Z: 10 11.522 1.916 0.254 0.694 1.000 0.667 CA 1.338 10 residues pruned to eliminate duplicates Z: 13 20.956 1.872 0.736 0.893 1.000 0.833 CA 1.336 13 residues pruned to eliminate duplicates Z: 24 38.017 2.028 1.057 0.895 0.957 0.826 CA 1.424 24 residues pruned to eliminate duplicates Z: 41 35.558 2.087 0.962 0.513 0.925 0.625 CA 1.466 41 residues pruned to eliminate duplicates Z: 15 19.551 1.813 0.783 0.754 1.000 0.786 CA 1.288 15 residues pruned to eliminate duplicates Z: 45 26.471 1.906 0.632 0.583 0.909 0.705 CB 1.303 44 residues pruned to eliminate duplicates Z: 23 35.245 2.043 0.923 0.870 1.000 0.636 CA 1.397 23 residues pruned to eliminate duplicates Z: 13 14.985 1.830 0.785 0.845 0.917 0.750 CB 1.074 13 residues pruned to eliminate duplicates Z: 42 40.937 2.119 0.997 0.552 0.927 0.488 CB 1.549 53 residues pruned to eliminate duplicates Z: 23 36.382 2.086 0.842 0.888 1.000 0.864 CA 1.454 23 residues pruned to eliminate duplicates Z: 12 15.358 1.944 0.498 0.847 0.909 0.636 CA 1.298 12 residues pruned to eliminate duplicates Z: 24 36.256 2.019 0.891 0.883 1.000 0.870 CA 1.432 24 residues pruned to eliminate duplicates Z: 24 32.566 2.010 0.762 0.830 1.000 0.565 CA 1.441 24 residues pruned to eliminate duplicates Z: 7 3.634 1.486 0.655 0.365 0.667 0.667 N 1.047 Z: 23 32.255 2.054 0.861 0.870 0.909 0.636 CB 1.444 23 residues pruned to eliminate duplicates Z: 15 11.114 1.852 0.743 0.458 0.786 0.571 CB 1.222 Z: 10 13.742 1.777 0.527 0.675 1.000 0.667 CA 1.436 Z: 9 12.707 1.744 0.924 0.684 0.875 0.250 CB 1.293 9 residues pruned to eliminate duplicates Z: 16 8.750 1.812 0.329 0.365 0.800 0.400 CA 1.356 Z: 12 19.001 1.952 0.627 0.893 1.000 1.000 CA 1.295 11 residues pruned to eliminate duplicates Z: 22 31.207 2.026 0.710 0.890 1.000 0.905 CA 1.414 22 residues pruned to eliminate duplicates Z: 24 34.324 2.030 0.806 0.896 1.000 0.870 CA 1.399 24 residues pruned to eliminate duplicates Z: 12 13.066 1.712 0.552 0.926 1.000 0.909 CB 1.040 11 residues pruned to eliminate duplicates Z: 39 33.707 2.050 0.777 0.553 0.921 0.684 CB 1.547 19 residues pruned to eliminate duplicates Z: 15 16.734 1.710 0.426 0.890 1.000 1.000 CB 1.320 15 residues pruned to eliminate duplicates Z: 9 11.379 1.936 0.911 0.691 0.750 0.500 CB 1.217 8 residues pruned to eliminate duplicates Z: 40 40.070 2.167 0.857 0.567 0.949 0.564 CB 1.575 40 residues pruned to eliminate duplicates Z: 23 27.848 2.012 0.631 0.887 1.000 0.909 CA 1.305 23 residues pruned to eliminate duplicates Z: 12 26.634 2.098 0.928 0.882 1.000 1.000 CA 1.436 12 residues pruned to eliminate duplicates Z: 14 17.716 1.735 0.530 0.900 1.000 0.692 CA 1.322 14 residues pruned to eliminate duplicates Z: 23 29.988 2.047 0.627 0.860 1.000 0.773 CA 1.411 23 residues pruned to eliminate duplicates Z: 23 40.862 2.061 1.015 0.915 1.000 0.773 CB 1.482 23 residues pruned to eliminate duplicates Z: 9 8.507 1.760 0.597 0.500 0.750 0.625 N 1.427 7 residues pruned to eliminate duplicates Z: 59 29.517 2.008 0.434 0.565 0.897 0.638 CA 1.409 59 residues pruned to eliminate duplicates Z: 11 13.042 1.958 0.567 0.569 0.900 0.800 CB 1.397 11 residues pruned to eliminate duplicates Z: 11 10.816 2.009 0.678 0.433 0.800 0.400 CA 1.359 Z: 14 13.420 1.926 0.607 0.510 0.846 0.769 CB 1.407 Z: 24 34.931 2.034 0.954 0.896 0.957 0.783 CA 1.373 24 residues pruned to eliminate duplicates Z: 6 8.220 1.693 0.898 0.477 0.800 0.600 O 1.462 Z: 11 24.574 2.036 0.963 0.907 1.000 0.800 CB 1.382 11 residues pruned to eliminate duplicates Z: 13 24.133 1.964 0.952 0.864 1.000 0.750 CA 1.332 13 residues pruned to eliminate duplicates Z: 16 13.889 1.786 0.660 0.412 0.933 0.600 CA 1.421 16 residues pruned to eliminate duplicates Z: 44 24.546 1.973 0.759 0.520 0.930 0.535 CB 1.137 39 residues pruned to eliminate duplicates Z: 16 14.184 1.818 0.480 0.637 0.867 0.800 CB 1.381 16 residues pruned to eliminate duplicates Z: 23 36.387 2.094 0.868 0.898 0.955 0.955 CA 1.486 23 residues pruned to eliminate duplicates Z: 13 13.555 1.870 0.708 0.486 0.917 0.583 CB 1.355 16 residues pruned to eliminate duplicates Z: 20 13.307 1.842 0.460 0.524 0.842 0.526 CA 1.316 20 residues pruned to eliminate duplicates Z: 16 21.764 1.806 0.812 0.786 1.000 0.933 CA 1.336 16 residues pruned to eliminate duplicates Z: 20 31.266 2.086 0.712 0.892 0.947 0.789 CB 1.524 20 residues pruned to eliminate duplicates Z: 24 23.934 1.971 0.425 0.862 1.000 0.826 CA 1.305 24 residues pruned to eliminate duplicates Z: 23 36.049 2.052 0.844 0.872 1.000 0.455 CA 1.481 23 residues pruned to eliminate duplicates Z: 23 34.367 2.001 0.858 0.884 1.000 0.682 CA 1.424 23 residues pruned to eliminate duplicates Z: 22 27.526 1.960 0.585 0.880 1.000 0.762 CB 1.401 22 residues pruned to eliminate duplicates Z: 23 29.479 2.017 0.615 0.875 1.000 0.818 CB 1.403 23 residues pruned to eliminate duplicates Z: 22 26.910 1.986 0.762 0.876 0.952 0.667 CB 1.280 22 residues pruned to eliminate duplicates Z: 9 2.922 1.556 0.563 0.286 0.625 0.250 CB 0.865 Z: 46 29.006 1.894 0.688 0.586 0.911 0.689 CA 1.367 46 residues pruned to eliminate duplicates Z: 6 4.738 1.635 0.542 0.501 0.800 0.600 CA 1.050 6 residues pruned to eliminate duplicates Z: 34 30.784 2.091 0.961 0.480 0.879 0.606 CB 1.518 34 residues pruned to eliminate duplicates Z: 56 18.821 1.810 0.564 0.393 0.855 0.491 CB 1.175 45 residues pruned to eliminate duplicates Z: 24 23.387 2.056 0.364 0.863 1.000 0.870 CA 1.276 24 residues pruned to eliminate duplicates Z: 22 27.304 2.021 0.638 0.863 0.952 0.714 CB 1.386 22 residues pruned to eliminate duplicates Z: 79 46.300 2.034 0.702 0.654 0.949 0.679 CB 1.383 93 residues pruned to eliminate duplicates Z: 7 3.727 1.205 0.416 0.674 1.000 0.167 CB 0.759 6 residues pruned to eliminate duplicates Z: 20 37.507 2.036 1.137 0.898 0.947 0.421 CB 1.493 20 residues pruned to eliminate duplicates Z: 24 25.130 2.008 0.430 0.879 1.000 0.870 CA 1.324 24 residues pruned to eliminate duplicates Z: 42 28.848 1.955 0.613 0.614 0.927 0.683 CB 1.384 42 residues pruned to eliminate duplicates Z: 37 21.624 1.912 0.564 0.447 0.944 0.667 CB 1.347 37 residues pruned to eliminate duplicates Z: 42 30.767 1.969 0.808 0.483 0.927 0.610 CA 1.482 29 residues pruned to eliminate duplicates Z: 37 31.551 2.019 0.787 0.610 1.000 0.667 CB 1.313 37 residues pruned to eliminate duplicates Z: 36 21.241 1.979 0.580 0.475 0.943 0.600 CB 1.249 37 residues pruned to eliminate duplicates Z: 24 30.270 2.063 0.641 0.857 1.000 0.783 CA 1.374 24 residues pruned to eliminate duplicates Z: 14 13.146 1.788 0.758 0.655 0.846 0.538 CB 1.187 13 residues pruned to eliminate duplicates Z: 15 12.045 1.801 0.434 0.601 0.929 0.500 CA 1.219 Z: 14 18.623 1.860 0.762 0.910 1.000 0.846 CB 1.118 14 residues pruned to eliminate duplicates Z: 14 21.333 1.808 0.886 0.857 1.000 0.769 CA 1.279 14 residues pruned to eliminate duplicates Z: 34 34.333 2.069 0.847 0.655 0.970 0.667 CB 1.396 28 residues pruned to eliminate duplicates Z: 8 10.759 1.713 0.628 0.754 1.000 0.571 CA 1.163 8 residues pruned to eliminate duplicates Z: 22 31.570 2.029 0.730 0.886 0.952 0.810 CB 1.487 22 residues pruned to eliminate duplicates Z: 32 32.156 2.051 0.892 0.564 0.903 0.613 CB 1.549 33 residues pruned to eliminate duplicates Z: 15 20.984 1.765 0.843 0.863 1.000 0.714 CA 1.265 15 residues pruned to eliminate duplicates Z: 40 31.063 2.028 0.730 0.548 0.923 0.718 CB 1.466 42 residues pruned to eliminate duplicates Z: 27 10.124 1.757 0.265 0.391 0.846 0.462 CB 1.185 Z: 13 19.884 1.865 0.695 0.857 1.000 0.917 CB 1.338 17 residues pruned to eliminate duplicates Z: 38 30.108 1.993 0.693 0.532 0.973 0.703 CB 1.461 38 residues pruned to eliminate duplicates Z: 7 11.124 1.829 0.506 0.727 1.000 0.833 N 1.343 7 residues pruned to eliminate duplicates Z: 24 31.426 1.946 0.979 0.848 0.870 0.522 CB 1.452 24 residues pruned to eliminate duplicates Z: 20 30.306 2.087 0.682 0.921 1.000 0.947 CA 1.394 20 residues pruned to eliminate duplicates Z: 41 26.865 1.881 0.623 0.600 0.975 0.650 CB 1.297 42 residues pruned to eliminate duplicates Z: 8 11.529 1.883 0.706 0.789 0.857 0.429 CB 1.228 8 residues pruned to eliminate duplicates Z: 24 34.515 2.040 0.906 0.839 0.913 0.609 CA 1.513 24 residues pruned to eliminate duplicates Z: 8 10.770 1.698 0.824 0.661 0.857 0.571 CB 1.320 8 residues pruned to eliminate duplicates Z: 12 23.954 2.032 0.856 0.901 1.000 0.727 CA 1.367 12 residues pruned to eliminate duplicates 6 -0.221 1.832 0.521 0.859 1.000 0.800 CB-0.026 ? Z: 38 15.944 1.812 0.520 0.416 0.892 0.541 CB 1.164 27 residues pruned to eliminate duplicates Z: 7 8.114 1.808 0.602 0.753 0.833 0.333 CA 1.095 7 residues pruned to eliminate duplicates Z: 7 11.623 1.695 0.808 0.709 1.000 0.333 CB 1.281 7 residues pruned to eliminate duplicates Z: 22 21.450 1.978 0.480 0.823 0.857 0.667 CB 1.410 22 residues pruned to eliminate duplicates Z: 13 11.908 1.789 0.652 0.621 0.750 0.667 CB 1.383 13 residues pruned to eliminate duplicates Z: 27 15.535 1.918 0.669 0.522 0.846 0.500 CB 1.100 12 residues pruned to eliminate duplicates Z: 49 24.764 1.883 0.667 0.454 0.917 0.562 CB 1.302 52 residues pruned to eliminate duplicates Z: 57 24.490 1.899 0.497 0.515 0.857 0.571 CB 1.323 56 residues pruned to eliminate duplicates Z: 24 18.103 1.884 0.793 0.468 0.870 0.565 CB 1.328 24 residues pruned to eliminate duplicates Z: 22 30.603 2.015 0.765 0.875 1.000 0.714 CA 1.366 22 residues pruned to eliminate duplicates Z: 10 11.072 1.786 0.449 0.674 1.000 0.667 CA 1.215 10 residues pruned to eliminate duplicates Z: 24 33.215 2.056 0.758 0.834 0.957 0.696 CB 1.501 24 residues pruned to eliminate duplicates Z: 10 13.926 1.987 0.708 0.512 0.889 0.778 CA 1.520 10 residues pruned to eliminate duplicates Z: 10 5.530 1.606 0.666 0.361 0.778 0.556 N 1.029 Z: 7 15.932 1.917 0.834 0.717 1.000 0.500 O 1.521 8 residues pruned to eliminate duplicates Z: 43 34.372 2.045 0.836 0.472 0.952 0.524 CB 1.525 43 residues pruned to eliminate duplicates Z: 43 24.017 1.848 0.534 0.576 0.952 0.643 CB 1.275 28 residues pruned to eliminate duplicates Z: 62 24.894 1.896 0.694 0.434 0.852 0.623 CB 1.246 68 residues pruned to eliminate duplicates Z: 24 34.765 2.002 0.948 0.845 0.957 0.652 CB 1.445 24 residues pruned to eliminate duplicates Z: 10 5.970 1.780 0.427 0.389 0.889 0.667 CB 0.991 10 residues pruned to eliminate duplicates Z: 8 3.908 1.792 0.145 0.306 0.857 0.429 CB 1.042 Z: 13 27.471 2.118 0.745 0.860 1.000 0.750 CA 1.578 13 residues pruned to eliminate duplicates Z: 10 6.836 1.690 0.356 0.561 0.889 0.333 CB 1.055 10 residues pruned to eliminate duplicates Z: 15 14.533 1.729 0.675 0.758 0.929 0.786 CA 1.148 15 residues pruned to eliminate duplicates Z: 6 3.043 1.666 0.188 0.332 0.800 0.400 CB 1.034 Z: 8 10.123 1.722 0.464 0.866 1.000 1.000 CB 1.111 Z: 6 2.788 1.558 0.183 0.577 0.600 0.600 CA 1.048 6 residues pruned to eliminate duplicates Z: 12 14.299 1.870 0.588 0.860 0.909 0.818 CB 1.174 12 residues pruned to eliminate duplicates Z: 14 19.999 1.820 0.646 0.878 1.000 0.846 CA 1.344 14 residues pruned to eliminate duplicates Z: 24 36.229 2.003 0.949 0.831 1.000 0.652 CA 1.454 24 residues pruned to eliminate duplicates Z: 21 28.102 2.018 0.815 0.884 0.950 0.850 CA 1.305 21 residues pruned to eliminate duplicates Z: 43 19.075 1.810 0.548 0.491 0.881 0.524 CB 1.203 43 residues pruned to eliminate duplicates Z: 7 6.203 1.848 0.618 0.662 0.667 0.500 CA 1.093 7 residues pruned to eliminate duplicates Z: 6 9.340 1.933 0.475 0.787 0.800 0.800 CB 1.423 6 residues pruned to eliminate duplicates Z: 11 17.268 2.084 0.599 0.823 1.000 0.800 CA 1.239 11 residues pruned to eliminate duplicates Z: 29 14.293 1.775 0.667 0.397 0.857 0.571 CB 1.188 29 residues pruned to eliminate duplicates Z: 30 18.287 1.895 0.851 0.444 0.828 0.483 CB 1.240 23 residues pruned to eliminate duplicates Z: 49 25.422 1.881 0.457 0.575 0.938 0.646 CA 1.328 49 residues pruned to eliminate duplicates Z: 13 16.518 1.941 0.742 0.847 0.833 0.750 CA 1.256 13 residues pruned to eliminate duplicates Z: 9 6.186 1.573 0.660 0.493 0.750 0.750 CB 1.124 Z: 12 20.061 2.003 0.679 0.905 0.909 0.818 CA 1.408 12 residues pruned to eliminate duplicates Z: 50 28.391 1.888 0.522 0.556 0.980 0.653 CB 1.365 50 residues pruned to eliminate duplicates Z: 28 15.936 1.869 0.607 0.401 0.852 0.481 CB 1.331 28 residues pruned to eliminate duplicates Z: 50 29.084 1.935 0.722 0.609 0.898 0.449 CB 1.252 78 residues pruned to eliminate duplicates Z: 16 15.250 1.822 1.103 0.394 0.867 0.667 N 1.326 16 residues pruned to eliminate duplicates Z: 13 18.416 1.810 0.653 0.892 1.000 0.750 CA 1.277 13 residues pruned to eliminate duplicates Z: 10 11.411 1.793 0.267 0.743 1.000 0.667 CA 1.348 10 residues pruned to eliminate duplicates Z: 38 12.283 1.683 0.463 0.359 0.865 0.541 CB 1.105 38 residues pruned to eliminate duplicates Z: 13 14.900 1.890 0.451 0.824 1.000 0.833 CB 1.184 13 residues pruned to eliminate duplicates Z: 42 28.258 1.942 0.616 0.517 0.927 0.585 CB 1.492 42 residues pruned to eliminate duplicates Z: 6 3.990 1.408 0.435 0.633 0.800 0.800 N 0.975 Z: 7 10.737 1.808 0.485 0.852 1.000 0.833 CB 1.207 7 residues pruned to eliminate duplicates Z: 13 18.442 1.904 0.696 0.838 1.000 0.750 CB 1.232 13 residues pruned to eliminate duplicates Z: 23 33.799 2.051 0.830 0.873 0.955 0.727 CA 1.466 23 residues pruned to eliminate duplicates Z: 23 34.058 2.076 0.814 0.869 1.000 0.682 CA 1.408 23 residues pruned to eliminate duplicates Z: 32 20.549 1.900 0.740 0.553 0.871 0.677 CB 1.218 31 residues pruned to eliminate duplicates Z: 9 8.014 1.632 0.867 0.711 0.625 0.625 CB 1.229 9 residues pruned to eliminate duplicates Z: 23 33.062 2.006 0.783 0.833 1.000 0.409 CB 1.479 23 residues pruned to eliminate duplicates Z: 15 17.620 1.901 0.569 0.638 1.000 0.500 CB 1.387 15 residues pruned to eliminate duplicates Z: 9 5.746 1.517 0.468 0.285 0.875 0.500 N 1.329 Z: 43 36.080 2.106 0.888 0.507 0.929 0.476 CB 1.498 43 residues pruned to eliminate duplicates Z: 11 15.129 1.613 0.740 0.871 1.000 0.800 CB 1.243 12 residues pruned to eliminate duplicates Z: 34 23.244 1.886 0.602 0.574 0.939 0.606 CB 1.327 34 residues pruned to eliminate duplicates Z: 22 30.229 1.968 0.860 0.860 1.000 0.476 CB 1.325 22 residues pruned to eliminate duplicates Z: 22 13.542 1.759 0.481 0.509 0.952 0.619 CB 1.180 20 residues pruned to eliminate duplicates Z: 8 13.473 1.786 0.844 0.758 1.000 0.571 CB 1.230 8 residues pruned to eliminate duplicates Z: 23 25.758 1.952 0.661 0.833 0.955 0.636 CB 1.331 23 residues pruned to eliminate duplicates Z: 6 5.788 1.823 -0.089 0.693 1.000 0.600 CB 1.306 Z: 35 14.282 1.807 0.473 0.403 0.853 0.412 CB 1.195 35 residues pruned to eliminate duplicates Z: 32 19.774 1.697 0.579 0.659 0.935 0.710 CB 1.222 28 residues pruned to eliminate duplicates Z: 13 17.963 1.733 0.718 0.905 1.000 0.833 CA 1.240 13 residues pruned to eliminate duplicates Z: 39 41.451 2.161 0.957 0.536 0.947 0.526 CB 1.620 41 residues pruned to eliminate duplicates Z: 13 20.605 1.839 0.898 0.828 0.917 0.583 CB 1.400 13 residues pruned to eliminate duplicates Z: 39 17.619 1.863 0.612 0.445 0.842 0.579 CB 1.196 39 residues pruned to eliminate duplicates Z: 23 30.049 1.886 0.790 0.877 1.000 0.545 CB 1.378 23 residues pruned to eliminate duplicates Z: 14 18.395 1.725 0.609 0.918 1.000 0.769 CA 1.296 14 residues pruned to eliminate duplicates Z: 18 10.038 1.953 0.588 0.386 0.824 0.471 CB 1.076 18 residues pruned to eliminate duplicates Z: 23 28.737 1.995 0.876 0.811 0.864 0.818 CB 1.446 23 residues pruned to eliminate duplicates Z: 46 33.224 2.008 0.827 0.547 0.956 0.578 CB 1.350 43 residues pruned to eliminate duplicates Z: 39 26.342 1.936 0.547 0.631 0.947 0.684 CB 1.332 31 residues pruned to eliminate duplicates Z: 79 43.798 2.051 0.714 0.575 0.962 0.564 CB 1.365 75 residues pruned to eliminate duplicates Z: 17 18.198 2.137 0.783 0.340 0.938 0.375 CB 1.517 15 residues pruned to eliminate duplicates Z: 24 30.609 2.061 0.563 0.856 1.000 0.783 CA 1.462 24 residues pruned to eliminate duplicates Z: 16 6.212 1.724 0.539 0.353 0.667 0.533 CB 1.063 16 residues pruned to eliminate duplicates Z: 25 16.004 1.952 0.814 0.304 0.833 0.500 CB 1.376 25 residues pruned to eliminate duplicates Z: 6 4.225 1.734 0.409 0.474 0.800 0.600 CB 0.992 10 residues pruned to eliminate duplicates Z: 6 6.534 1.605 0.422 0.845 0.800 0.600 CA 1.190 6 residues pruned to eliminate duplicates Z: 13 12.483 1.690 0.901 0.744 0.833 0.667 CB 1.082 13 residues pruned to eliminate duplicates Z: 41 24.740 1.967 0.648 0.526 0.850 0.550 CB 1.384 41 residues pruned to eliminate duplicates Z: 31 18.387 1.970 0.162 0.666 0.933 0.767 CB 1.346 31 residues pruned to eliminate duplicates Z: 7 10.745 1.811 0.477 0.747 1.000 0.667 O 1.315 7 residues pruned to eliminate duplicates Z: 7 4.452 1.736 0.467 0.720 0.500 0.500 CB 1.170 7 residues pruned to eliminate duplicates Z: 6 3.454 1.629 0.675 0.499 0.600 0.600 CB 0.944 Z: 17 14.239 1.974 0.679 0.486 0.750 0.438 CB 1.453 17 residues pruned to eliminate duplicates Z: 35 25.878 1.953 0.817 0.507 0.882 0.618 CB 1.406 35 residues pruned to eliminate duplicates Z: 6 6.851 1.881 0.453 0.750 0.600 0.400 CA 1.495 6 residues pruned to eliminate duplicates Z: 11 13.849 1.979 0.880 0.884 0.900 0.500 CB 0.945 11 residues pruned to eliminate duplicates Z: 41 34.314 2.080 0.887 0.567 0.875 0.675 CB 1.481 41 residues pruned to eliminate duplicates Z: 14 15.513 1.843 0.551 0.863 1.000 0.846 CA 1.104 14 residues pruned to eliminate duplicates Z: 8 3.667 1.638 0.401 0.275 0.857 0.429 CB 0.909 Z: 13 8.272 1.753 0.673 0.398 0.833 0.333 CB 1.087 13 residues pruned to eliminate duplicates Z: 40 12.937 1.748 0.364 0.393 0.846 0.513 CB 1.151 39 residues pruned to eliminate duplicates Z: 34 25.614 1.948 0.675 0.639 0.939 0.606 CB 1.277 34 residues pruned to eliminate duplicates Z: 23 22.528 1.950 0.404 0.835 1.000 0.727 CA 1.314 23 residues pruned to eliminate duplicates Z: 14 23.090 1.798 0.858 0.886 1.000 0.615 CA 1.383 14 residues pruned to eliminate duplicates Z: 12 14.676 1.870 0.464 0.875 1.000 0.727 CB 1.175 12 residues pruned to eliminate duplicates Z: 34 16.551 1.794 0.819 0.381 0.818 0.545 CB 1.225 34 residues pruned to eliminate duplicates Z: 12 17.095 1.852 0.807 0.880 0.909 0.727 CB 1.228 12 residues pruned to eliminate duplicates Z: 14 13.084 1.871 0.388 0.866 0.923 0.769 CA 1.108 14 residues pruned to eliminate duplicates Z: 10 12.579 1.763 0.833 0.626 0.889 0.556 N 1.297 10 residues pruned to eliminate duplicates Z: 14 17.994 1.737 0.604 0.913 0.923 0.769 CA 1.373 14 residues pruned to eliminate duplicates Z: 81 35.204 1.878 0.537 0.607 0.963 0.488 CB 1.280 77 residues pruned to eliminate duplicates Z: 23 25.998 1.974 0.444 0.882 1.000 0.818 CA 1.407 23 residues pruned to eliminate duplicates Z: 55 29.550 1.982 0.693 0.547 0.907 0.593 CB 1.261 55 residues pruned to eliminate duplicates Z: 6 3.891 1.784 0.221 0.516 0.800 0.600 N 0.983 6 residues pruned to eliminate duplicates Z: 6 11.746 1.835 1.049 0.864 1.000 1.000 CB 1.024 6 residues pruned to eliminate duplicates Z: 23 35.679 2.089 0.832 0.845 1.000 0.773 CB 1.478 23 residues pruned to eliminate duplicates Z: 13 10.674 1.831 0.386 0.520 0.917 0.583 CB 1.299 Z: 36 37.319 2.101 1.078 0.487 0.943 0.543 CB 1.553 39 residues pruned to eliminate duplicates Z: 37 26.455 1.942 0.543 0.617 0.944 0.750 CB 1.394 41 residues pruned to eliminate duplicates Z: 16 22.394 2.018 1.034 0.579 0.933 0.533 CB 1.400 16 residues pruned to eliminate duplicates Z: 15 8.135 1.719 0.400 0.439 0.857 0.571 CB 1.122 15 residues pruned to eliminate duplicates Z: 42 39.564 2.130 0.906 0.565 0.902 0.512 CB 1.583 42 residues pruned to eliminate duplicates 6 1.467 1.308 0.064 0.706 0.800 0.600 O 0.489 ? Z: 7 4.083 1.411 0.771 0.371 0.833 0.500 CA 0.918 Z: 10 10.057 1.591 0.501 0.866 0.889 0.778 CB 1.156 Z: 9 10.535 1.791 0.561 0.631 1.000 0.750 CA 1.178 9 residues pruned to eliminate duplicates Z: 29 20.090 1.997 0.689 0.441 0.929 0.571 CB 1.288 29 residues pruned to eliminate duplicates Z: 42 33.175 2.079 0.887 0.556 0.878 0.561 CB 1.424 32 residues pruned to eliminate duplicates Z: 10 9.726 1.780 0.535 0.384 0.889 0.778 CA 1.510 10 residues pruned to eliminate duplicates Z: 25 14.824 1.967 0.585 0.419 0.792 0.625 CB 1.334 25 residues pruned to eliminate duplicates Z: 7 3.940 1.750 0.965 0.506 0.833 0.500 CB 0.558 Z: 10 9.108 1.875 0.315 0.553 0.889 0.889 CB 1.315 10 residues pruned to eliminate duplicates Z: 37 26.326 1.985 0.630 0.519 0.889 0.667 CB 1.497 37 residues pruned to eliminate duplicates Z: 9 3.635 1.424 0.482 0.380 0.750 0.500 CB 0.923 Z: 22 28.468 2.053 0.566 0.895 1.000 0.905 CA 1.386 22 residues pruned to eliminate duplicates Z: 23 30.066 2.025 0.610 0.907 1.000 0.818 CA 1.397 23 residues pruned to eliminate duplicates Z: 23 12.030 1.825 0.518 0.345 0.864 0.500 CB 1.269 26 residues pruned to eliminate duplicates Z: 15 18.385 2.072 0.474 0.639 1.000 0.643 CB 1.413 15 residues pruned to eliminate duplicates Z: 10 12.397 1.772 0.667 0.897 1.000 0.778 CB 1.001 10 residues pruned to eliminate duplicates Z: 7 12.006 1.611 0.738 0.845 1.000 0.667 CA 1.302 7 residues pruned to eliminate duplicates Z: 12 11.820 1.940 0.499 0.891 0.909 0.818 CB 0.969 12 residues pruned to eliminate duplicates Z: 23 29.439 1.997 0.630 0.887 1.000 0.727 CB 1.391 23 residues pruned to eliminate duplicates Z: 9 4.566 1.494 0.592 0.358 0.875 0.375 CB 0.904 Z: 6 4.910 1.471 0.782 0.787 1.000 0.600 CA 0.651 6 residues pruned to eliminate duplicates Z: 36 22.598 1.949 0.618 0.476 0.943 0.600 CB 1.316 38 residues pruned to eliminate duplicates Z: 41 30.709 1.969 0.736 0.557 0.900 0.675 CB 1.494 39 residues pruned to eliminate duplicates Z: 6 3.893 1.470 0.353 0.309 1.000 0.600 N 1.081 Z: 71 32.070 1.961 0.663 0.510 0.900 0.614 CB 1.293 71 residues pruned to eliminate duplicates Z: 12 14.751 1.891 0.329 0.889 1.000 0.818 CB 1.274 12 residues pruned to eliminate duplicates Z: 19 12.797 1.873 0.495 0.391 0.833 0.444 CB 1.451 19 residues pruned to eliminate duplicates Z: 24 16.602 1.869 0.917 0.377 0.826 0.304 CB 1.333 24 residues pruned to eliminate duplicates Z: 19 11.450 1.793 0.438 0.392 0.944 0.444 CB 1.242 13 residues pruned to eliminate duplicates Z: 37 20.119 1.910 0.497 0.423 0.917 0.361 CB 1.386 31 residues pruned to eliminate duplicates Z: 8 9.058 1.729 0.694 0.752 1.000 0.857 CB 0.933 9 residues pruned to eliminate duplicates Z: 39 29.727 2.031 0.722 0.527 0.921 0.632 CB 1.458 41 residues pruned to eliminate duplicates Z: 25 11.989 1.814 0.505 0.405 0.792 0.667 CB 1.252 28 residues pruned to eliminate duplicates Z: 24 16.586 1.846 0.673 0.530 0.913 0.522 CB 1.191 24 residues pruned to eliminate duplicates Z: 13 22.060 1.781 0.899 0.909 1.000 0.833 CB 1.336 13 residues pruned to eliminate duplicates Z: 6 2.802 1.437 0.382 0.338 0.800 0.400 N 0.942 Z: 29 20.521 1.926 0.556 0.505 0.857 0.357 N 1.503 29 residues pruned to eliminate duplicates Z: 18 15.754 1.899 0.381 0.509 1.000 0.647 CB 1.444 18 residues pruned to eliminate duplicates Z: 11 9.251 1.614 0.617 0.807 0.900 0.400 CA 0.953 11 residues pruned to eliminate duplicates Z: 63 35.287 2.018 0.692 0.543 0.952 0.581 CB 1.322 63 residues pruned to eliminate duplicates Z: 13 17.027 1.921 0.575 0.823 1.000 0.667 CA 1.228 13 residues pruned to eliminate duplicates Z: 9 16.027 1.899 1.058 0.897 1.000 0.750 CB 1.038 9 residues pruned to eliminate duplicates Z: 46 30.981 1.972 0.725 0.615 0.911 0.800 CB 1.336 47 residues pruned to eliminate duplicates Z: 59 34.865 1.945 0.620 0.574 0.966 0.690 CB 1.401 53 residues pruned to eliminate duplicates Z: 7 5.860 1.766 0.309 0.464 0.833 0.667 CA 1.288 7 residues pruned to eliminate duplicates Z: 22 27.157 2.015 0.563 0.899 1.000 0.905 CA 1.345 22 residues pruned to eliminate duplicates Z: 12 9.661 1.542 0.355 0.758 1.000 0.727 CB 1.108 12 residues pruned to eliminate duplicates Z: 16 16.783 1.809 0.632 0.618 1.000 0.600 CB 1.313 17 residues pruned to eliminate duplicates Z: 23 14.146 1.874 0.635 0.573 0.864 0.636 CB 1.062 19 residues pruned to eliminate duplicates Z: 6 2.392 1.587 -0.194 0.302 1.000 0.400 N 1.043 Z: 45 27.200 1.918 0.566 0.571 0.932 0.523 CB 1.368 45 residues pruned to eliminate duplicates Z: 42 33.343 2.024 0.842 0.639 0.976 0.659 CB 1.257 42 residues pruned to eliminate duplicates Z: 8 7.796 1.631 0.401 0.569 1.000 0.714 CA 1.206 Z: 7 6.805 1.733 0.058 0.751 1.000 0.500 CB 1.211 7 residues pruned to eliminate duplicates Z: 27 11.022 1.902 0.321 0.413 0.769 0.654 CB 1.225 27 residues pruned to eliminate duplicates Z: 6 9.240 1.772 0.687 0.755 1.000 0.800 CA 1.101 6 residues pruned to eliminate duplicates Z: 26 14.719 1.837 0.559 0.437 0.840 0.600 CB 1.305 26 residues pruned to eliminate duplicates Z: 11 3.402 1.575 0.427 0.236 0.800 0.400 CB 0.813 Z: 36 23.819 1.963 0.741 0.449 0.943 0.514 CB 1.316 37 residues pruned to eliminate duplicates Z: 23 42.124 2.076 1.082 0.892 1.000 0.727 CB 1.493 23 residues pruned to eliminate duplicates Z: 31 17.420 1.823 0.574 0.382 0.867 0.567 CB 1.450 31 residues pruned to eliminate duplicates Z: 40 31.503 2.003 0.700 0.646 0.949 0.641 CB 1.363 36 residues pruned to eliminate duplicates Z: 23 32.210 2.007 0.737 0.888 1.000 0.909 CB 1.420 23 residues pruned to eliminate duplicates Z: 20 19.621 1.889 0.636 0.691 0.842 0.684 CB 1.452 20 residues pruned to eliminate duplicates Z: 13 11.917 1.745 0.750 0.795 0.750 0.500 CB 1.160 13 residues pruned to eliminate duplicates Z: 36 23.974 1.922 0.513 0.591 0.943 0.600 CA 1.354 36 residues pruned to eliminate duplicates Z: 20 15.012 1.810 0.667 0.450 0.947 0.684 CA 1.268 26 residues pruned to eliminate duplicates Z: 32 34.049 2.076 0.975 0.522 0.935 0.613 CB 1.559 32 residues pruned to eliminate duplicates Z: 14 11.158 1.864 0.713 0.524 0.769 0.538 CB 1.230 14 residues pruned to eliminate duplicates Z: 8 8.945 1.741 0.549 0.708 0.714 0.429 CB 1.453 8 residues pruned to eliminate duplicates Z: 14 12.224 1.768 0.861 0.782 0.846 0.692 CB 0.950 14 residues pruned to eliminate duplicates Z: 23 26.147 1.924 0.687 0.883 0.955 0.682 CB 1.302 23 residues pruned to eliminate duplicates Z: 37 27.396 1.922 0.780 0.606 0.944 0.639 CB 1.277 37 residues pruned to eliminate duplicates Z: 11 12.279 1.819 0.518 0.908 1.000 0.800 CB 0.999 11 residues pruned to eliminate duplicates Z: 14 14.239 1.735 0.486 0.846 1.000 0.769 CA 1.138 14 residues pruned to eliminate duplicates Z: 38 24.164 1.905 0.754 0.591 0.892 0.757 CB 1.222 38 residues pruned to eliminate duplicates Z: 43 30.501 2.071 0.713 0.551 0.905 0.667 CA 1.396 43 residues pruned to eliminate duplicates Z: 13 16.848 1.868 1.043 0.879 1.000 0.833 CB 0.924 Z: 15 11.660 1.667 0.565 0.649 0.857 0.643 CA 1.213 15 residues pruned to eliminate duplicates Z: 19 13.072 1.885 0.512 0.390 0.833 0.333 CA 1.458 21 residues pruned to eliminate duplicates Z: 8 10.448 1.724 0.769 0.824 0.857 0.714 CA 1.141 8 residues pruned to eliminate duplicates Z: 7 6.170 1.533 0.351 0.825 1.000 0.833 CB 0.918 7 residues pruned to eliminate duplicates Z: 10 7.449 1.675 0.571 0.452 0.778 0.667 CB 1.275 10 residues pruned to eliminate duplicates Z: 33 32.039 2.120 0.840 0.513 0.938 0.438 CB 1.529 33 residues pruned to eliminate duplicates Z: 44 35.051 2.069 0.973 0.490 0.930 0.581 CB 1.422 44 residues pruned to eliminate duplicates Z: 45 23.560 1.866 0.693 0.542 0.886 0.500 CB 1.217 45 residues pruned to eliminate duplicates Z: 15 12.548 1.628 0.965 0.543 0.857 0.571 CB 1.173 Z: 37 20.822 1.899 0.691 0.435 0.889 0.583 CB 1.300 37 residues pruned to eliminate duplicates Z: 23 28.561 1.882 0.659 0.871 0.955 0.682 CB 1.490 23 residues pruned to eliminate duplicates Z: 12 24.295 1.950 0.855 0.911 1.000 1.000 CA 1.435 12 residues pruned to eliminate duplicates Z: 24 23.748 1.908 0.423 0.832 0.957 0.739 CA 1.431 24 residues pruned to eliminate duplicates Z: 23 20.979 1.969 0.178 0.886 1.000 0.864 CA 1.391 23 residues pruned to eliminate duplicates Z: 20 14.278 1.875 0.490 0.425 0.947 0.684 CB 1.338 20 residues pruned to eliminate duplicates Z: 15 9.795 1.845 0.408 0.374 0.857 0.500 CB 1.346 12 residues pruned to eliminate duplicates Z: 23 33.790 2.029 0.969 0.842 0.955 0.545 CA 1.408 23 residues pruned to eliminate duplicates Z: 8 7.289 1.707 0.372 0.873 1.000 0.857 CB 0.857 8 residues pruned to eliminate duplicates Z: 6 4.170 1.792 0.401 0.289 0.800 0.800 CB 1.177 Z: 11 12.656 1.985 0.874 0.503 0.800 0.400 CB 1.341 11 residues pruned to eliminate duplicates Z: 43 31.032 1.987 0.784 0.489 0.952 0.524 CB 1.434 38 residues pruned to eliminate duplicates Z: 50 24.015 1.881 0.522 0.527 0.857 0.571 CA 1.361 50 residues pruned to eliminate duplicates Z: 40 33.123 2.017 0.813 0.503 0.949 0.564 CB 1.524 39 residues pruned to eliminate duplicates Z: 12 15.730 1.967 0.407 0.916 1.000 0.909 CB 1.211 12 residues pruned to eliminate duplicates Z: 8 9.384 1.750 0.285 0.873 1.000 0.857 CB 1.149 8 residues pruned to eliminate duplicates Z: 34 25.627 1.975 0.580 0.651 0.909 0.788 CA 1.366 34 residues pruned to eliminate duplicates Z: 8 9.796 1.493 0.704 0.824 1.000 1.000 CA 1.100 8 residues pruned to eliminate duplicates Z: 12 5.932 1.805 0.672 0.280 0.636 0.364 CB 1.195 12 residues pruned to eliminate duplicates Z: 22 27.773 1.975 0.494 0.890 1.000 0.905 CB 1.477 22 residues pruned to eliminate duplicates Z: 12 8.243 1.768 0.591 0.548 0.818 0.545 CB 1.030 12 residues pruned to eliminate duplicates Z: 8 7.300 1.738 0.136 0.708 1.000 0.571 CB 1.157 8 residues pruned to eliminate duplicates Z: 57 29.481 1.983 0.717 0.502 0.929 0.518 CB 1.243 57 residues pruned to eliminate duplicates Z: 29 23.455 1.831 0.566 0.628 1.000 0.714 CA 1.370 29 residues pruned to eliminate duplicates Z: 7 7.055 1.507 0.641 0.759 1.000 0.833 CB 0.926 8 residues pruned to eliminate duplicates Z: 21 14.143 1.904 0.437 0.400 0.950 0.600 CB 1.352 21 residues pruned to eliminate duplicates Z: 22 17.223 1.872 0.596 0.550 0.952 0.619 CB 1.258 22 residues pruned to eliminate duplicates Z: 13 12.078 1.917 0.282 0.849 1.000 0.750 CA 1.052 13 residues pruned to eliminate duplicates Z: 6 3.467 1.661 0.100 0.867 1.000 0.800 CB 0.621 6 residues pruned to eliminate duplicates Z: 118 38.459 1.899 0.617 0.492 0.880 0.573 CB 1.325 120 residues pruned to eliminate duplicates Z: 16 9.760 1.716 0.334 0.575 0.800 0.667 CB 1.280 16 residues pruned to eliminate duplicates Z: 47 22.750 1.829 0.557 0.548 0.891 0.630 CB 1.261 47 residues pruned to eliminate duplicates Z: 8 8.640 1.512 0.484 0.808 1.000 0.714 CA 1.113 10 residues pruned to eliminate duplicates Z: 24 29.705 1.907 0.656 0.853 1.000 0.652 CA 1.450 24 residues pruned to eliminate duplicates Z: 12 15.006 2.015 0.343 0.914 1.000 1.000 CB 1.183 12 residues pruned to eliminate duplicates Z: 24 15.979 1.898 0.674 0.457 0.870 0.609 CB 1.260 24 residues pruned to eliminate duplicates Z: 8 7.558 1.806 0.416 0.598 0.857 0.571 N 1.186 Z: 7 10.628 1.880 0.302 0.797 1.000 0.333 CB 1.367 7 residues pruned to eliminate duplicates Z: 11 5.274 1.624 0.147 0.642 0.900 0.600 CB 0.871 11 residues pruned to eliminate duplicates Z: 39 24.549 1.996 0.850 0.510 0.921 0.579 CB 1.159 52 residues pruned to eliminate duplicates Z: 10 4.005 1.505 0.527 0.471 0.667 0.556 CB 0.897 Z: 41 33.230 2.020 0.765 0.502 1.000 0.450 CB 1.471 44 residues pruned to eliminate duplicates Z: 27 11.639 1.711 0.558 0.337 0.846 0.462 CB 1.209 27 residues pruned to eliminate duplicates Z: 39 25.266 1.993 0.937 0.546 0.842 0.579 CB 1.205 39 residues pruned to eliminate duplicates Z: 12 6.220 1.650 0.686 0.698 0.636 0.455 CB 0.884 8 residues pruned to eliminate duplicates Z: 15 8.744 1.765 0.419 0.625 0.786 0.571 CB 1.056 15 residues pruned to eliminate duplicates Z: 42 42.160 2.131 0.978 0.541 0.976 0.610 CB 1.539 42 residues pruned to eliminate duplicates Z: 16 14.478 1.725 0.646 0.596 0.933 0.667 CA 1.287 16 residues pruned to eliminate duplicates Z: 7 8.682 1.481 0.505 0.850 1.000 0.833 CB 1.178 7 residues pruned to eliminate duplicates Z: 23 25.692 1.951 0.527 0.899 1.000 0.909 CB 1.315 23 residues pruned to eliminate duplicates Z: 11 13.004 1.559 0.608 0.886 1.000 0.800 CA 1.184 10 residues pruned to eliminate duplicates Z: 43 32.976 1.986 0.709 0.688 1.000 0.643 CB 1.262 43 residues pruned to eliminate duplicates Z: 42 16.571 1.789 0.523 0.445 0.829 0.634 CB 1.212 45 residues pruned to eliminate duplicates Z: 22 30.520 1.984 0.831 0.891 1.000 0.857 CB 1.318 22 residues pruned to eliminate duplicates Z: 21 13.721 1.723 0.602 0.508 0.850 0.500 CB 1.297 20 residues pruned to eliminate duplicates Z: 14 16.967 1.964 0.912 0.766 0.923 0.692 CA 1.073 14 residues pruned to eliminate duplicates Z: 15 13.423 1.743 0.566 0.834 0.929 0.786 CA 1.061 15 residues pruned to eliminate duplicates Z: 43 29.995 1.982 0.885 0.546 0.881 0.571 CA 1.345 43 residues pruned to eliminate duplicates Z: 7 7.242 2.042 0.331 0.472 1.000 0.833 CB 1.120 6 1.571 1.774 -0.214 0.492 0.800 0.600 CB 0.635 ? Z: 11 16.373 1.803 0.978 0.926 1.000 1.000 CB 1.018 11 residues pruned to eliminate duplicates Z: 42 26.210 1.926 0.759 0.465 0.878 0.537 CB 1.426 42 residues pruned to eliminate duplicates Z: 42 25.298 1.874 0.407 0.648 0.927 0.585 CB 1.408 42 residues pruned to eliminate duplicates Z: 24 35.602 2.004 0.849 0.871 1.000 0.435 CA 1.462 24 residues pruned to eliminate duplicates Z: 11 17.746 1.877 0.955 0.913 1.000 0.900 CB 1.082 11 residues pruned to eliminate duplicates Z: 14 3.864 1.652 -0.024 0.325 0.923 0.538 CB 0.873 Z: 6 4.974 1.503 0.534 0.428 1.000 0.600 CB 1.039 Z: 9 12.046 1.824 0.485 0.915 0.875 0.875 CB 1.269 8 residues pruned to eliminate duplicates Z: 10 13.405 1.801 0.579 0.639 1.000 0.778 CA 1.379 10 residues pruned to eliminate duplicates Z: 19 14.909 1.909 0.753 0.421 0.833 0.611 CB 1.368 19 residues pruned to eliminate duplicates Z: 11 20.837 2.065 0.472 0.892 1.000 0.900 CB 1.557 11 residues pruned to eliminate duplicates Z: 9 9.546 1.724 0.285 0.731 1.000 0.875 CA 1.237 9 residues pruned to eliminate duplicates Z: 6 4.680 1.852 0.839 0.246 0.600 0.600 CB 1.374 Z: 32 20.812 1.893 0.647 0.471 0.839 0.548 CB 1.472 32 residues pruned to eliminate duplicates Z: 47 24.729 1.902 0.670 0.508 0.870 0.609 CB 1.310 47 residues pruned to eliminate duplicates Z: 19 14.038 1.922 0.679 0.348 0.889 0.556 CB 1.360 19 residues pruned to eliminate duplicates Z: 7 5.878 1.815 0.522 0.515 0.833 0.833 CB 1.027 7 residues pruned to eliminate duplicates Z: 41 35.405 2.049 0.793 0.568 0.925 0.650 CB 1.542 41 residues pruned to eliminate duplicates Z: 6 6.492 1.648 0.369 0.667 1.000 0.800 CB 1.102 6 residues pruned to eliminate duplicates Z: 45 26.274 1.932 0.443 0.599 0.909 0.705 CA 1.421 45 residues pruned to eliminate duplicates Z: 24 28.176 2.026 0.644 0.881 0.957 0.870 CA 1.336 24 residues pruned to eliminate duplicates Z: 25 21.861 1.947 0.730 0.571 0.917 0.625 CB 1.349 25 residues pruned to eliminate duplicates Z: 42 39.423 2.142 0.957 0.481 0.976 0.512 CB 1.534 41 residues pruned to eliminate duplicates Z: 43 21.175 1.982 0.537 0.492 0.905 0.548 CB 1.195 45 residues pruned to eliminate duplicates Z: 11 14.075 1.623 0.573 0.839 1.000 0.700 CB 1.303 15 residues pruned to eliminate duplicates Z: 13 18.997 1.890 0.759 0.809 1.000 0.750 CB 1.260 13 residues pruned to eliminate duplicates Z: 13 9.754 1.916 0.271 0.894 1.000 1.000 CA 0.830 13 residues pruned to eliminate duplicates Z: 23 11.961 1.818 0.728 0.405 0.773 0.409 CB 1.161 23 residues pruned to eliminate duplicates Z: 27 24.164 2.016 0.822 0.439 0.962 0.538 CB 1.430 27 residues pruned to eliminate duplicates Z: 42 24.670 1.953 0.712 0.519 0.854 0.659 CB 1.325 46 residues pruned to eliminate duplicates Z: 6 7.500 1.506 0.647 0.793 1.000 0.800 CA 1.046 6 residues pruned to eliminate duplicates Z: 36 32.423 1.992 0.918 0.671 0.943 0.657 CB 1.300 36 residues pruned to eliminate duplicates Z: 80 37.677 1.943 0.536 0.597 0.937 0.608 CB 1.382 80 residues pruned to eliminate duplicates Z: 61 30.774 1.899 0.595 0.569 0.950 0.617 CB 1.291 61 residues pruned to eliminate duplicates Z: 42 21.928 1.838 0.647 0.539 0.927 0.585 CB 1.175 31 residues pruned to eliminate duplicates Z: 6 5.263 1.891 0.005 0.860 1.000 1.000 CB 0.911 6 residues pruned to eliminate duplicates Z: 6 2.989 1.586 0.632 0.870 1.000 0.800 CB 0.377 Z: 24 20.390 1.930 0.372 0.841 0.957 0.783 CA 1.252 24 residues pruned to eliminate duplicates Z: 6 3.421 1.605 0.195 0.660 1.000 1.000 CB 0.688 Z: 17 12.795 1.725 0.562 0.515 0.812 0.625 CB 1.439 17 residues pruned to eliminate duplicates Z: 6 3.605 1.633 0.184 0.573 0.800 0.400 N 0.971 6 residues pruned to eliminate duplicates Z: 7 12.080 1.617 0.853 0.784 1.000 0.667 CB 1.283 7 residues pruned to eliminate duplicates Z: 7 4.497 1.764 0.278 0.530 0.833 0.333 CB 0.949 7 residues pruned to eliminate duplicates Z: 21 23.045 1.983 0.397 0.873 0.950 0.850 CB 1.426 21 residues pruned to eliminate duplicates Z: 8 3.166 1.643 0.172 0.448 0.571 0.286 CB 1.146 8 residues pruned to eliminate duplicates Z: 11 22.143 1.884 1.296 0.932 1.000 0.800 CB 1.130 11 residues pruned to eliminate duplicates Z: 8 4.280 1.596 0.125 0.585 0.857 0.714 CB 0.969 7 residues pruned to eliminate duplicates Z: 13 13.546 1.518 0.793 0.850 1.000 0.917 CA 1.064 12 residues pruned to eliminate duplicates Z: 13 34.024 2.042 1.281 0.894 1.000 0.583 CB 1.513 13 residues pruned to eliminate duplicates Z: 30 30.646 2.049 0.871 0.586 0.897 0.724 CA 1.525 31 residues pruned to eliminate duplicates Z: 12 15.229 1.924 0.986 0.898 0.909 0.545 CB 0.946 12 residues pruned to eliminate duplicates Z: 8 2.796 1.635 0.262 0.349 0.857 0.714 CB 0.704 Z: 38 26.996 1.983 0.734 0.536 0.892 0.730 CA 1.397 38 residues pruned to eliminate duplicates Z: 16 12.292 1.883 0.370 0.496 0.933 0.533 CB 1.324 16 residues pruned to eliminate duplicates Z: 39 19.041 1.888 0.591 0.417 0.895 0.605 CB 1.254 39 residues pruned to eliminate duplicates Z: 8 8.458 1.736 0.284 0.896 1.000 0.857 CB 1.027 8 residues pruned to eliminate duplicates Z: 11 6.537 1.510 0.486 0.358 1.000 0.700 CB 1.073 11 residues pruned to eliminate duplicates Z: 37 22.792 1.913 0.590 0.453 0.917 0.639 CA 1.430 37 residues pruned to eliminate duplicates Z: 21 22.870 1.901 0.520 0.914 1.000 0.900 CA 1.252 21 residues pruned to eliminate duplicates Z: 9 10.171 1.754 0.416 0.671 1.000 0.500 N 1.237 9 residues pruned to eliminate duplicates Z: 12 19.480 1.842 0.944 0.904 1.000 0.727 CB 1.168 12 residues pruned to eliminate duplicates Z: 24 25.041 1.879 0.546 0.839 1.000 0.739 CA 1.343 24 residues pruned to eliminate duplicates Z: 8 7.542 1.595 0.462 0.669 0.857 0.571 CB 1.220 8 residues pruned to eliminate duplicates Z: 49 26.122 1.883 0.553 0.530 0.938 0.604 CB 1.336 49 residues pruned to eliminate duplicates Z: 28 10.776 1.790 0.354 0.350 0.852 0.593 CB 1.181 28 residues pruned to eliminate duplicates Z: 79 38.253 1.944 0.583 0.629 0.936 0.577 CB 1.331 79 residues pruned to eliminate duplicates Z: 45 25.810 1.901 0.683 0.550 0.886 0.614 CB 1.307 45 residues pruned to eliminate duplicates Z: 23 15.560 1.839 0.641 0.475 0.909 0.682 CB 1.240 23 residues pruned to eliminate duplicates Z: 7 3.981 1.784 0.426 0.509 0.833 0.833 CB 0.759 Z: 10 6.491 1.541 0.405 0.600 0.778 0.667 CB 1.168 10 residues pruned to eliminate duplicates Z: 37 26.779 1.965 0.690 0.670 0.972 0.583 CB 1.181 37 residues pruned to eliminate duplicates Z: 21 14.792 1.787 0.701 0.474 0.850 0.550 CB 1.315 26 residues pruned to eliminate duplicates Z: 8 6.967 1.799 0.675 0.451 0.714 0.714 N 1.286 8 residues pruned to eliminate duplicates Z: 6 2.527 1.420 0.599 0.481 0.600 0.400 CA 0.846 6 residues pruned to eliminate duplicates Z: 21 27.568 1.964 0.676 0.934 1.000 1.000 CA 1.306 21 residues pruned to eliminate duplicates Z: 20 22.319 1.966 0.971 0.530 0.947 0.737 CB 1.354 10 residues pruned to eliminate duplicates Z: 23 14.628 1.871 0.638 0.325 0.909 0.455 CB 1.357 23 residues pruned to eliminate duplicates Z: 43 42.233 2.125 1.011 0.533 0.952 0.524 CB 1.549 41 residues pruned to eliminate duplicates Z: 12 9.862 1.727 0.479 0.549 0.909 0.636 CA 1.221 12 residues pruned to eliminate duplicates Z: 13 11.135 1.526 0.870 0.838 0.917 0.667 CB 0.919 13 residues pruned to eliminate duplicates Z: 44 25.408 1.944 0.783 0.487 0.884 0.535 CB 1.283 64 residues pruned to eliminate duplicates Z: 27 6.922 1.743 0.446 0.257 0.808 0.385 CB 0.881 27 residues pruned to eliminate duplicates Z: 45 25.738 1.905 0.589 0.541 0.909 0.614 CB 1.355 45 residues pruned to eliminate duplicates Z: 12 11.533 1.922 0.554 0.517 0.909 0.727 CA 1.259 13 residues pruned to eliminate duplicates Z: 6 3.735 1.634 0.024 0.297 1.000 0.600 CB 1.252 Z: 6 4.783 1.577 0.428 0.502 1.000 0.800 CA 0.948 Z: 14 20.955 1.823 0.821 0.828 1.000 0.692 CA 1.318 14 residues pruned to eliminate duplicates Z: 10 4.159 1.665 0.025 0.273 0.889 0.556 CB 1.183 Z: 46 34.611 2.006 0.851 0.588 0.956 0.667 CB 1.337 47 residues pruned to eliminate duplicates Z: 12 3.635 1.456 0.625 0.272 0.727 0.273 N 0.825 Z: 12 13.248 1.915 0.297 0.830 0.909 0.818 CB 1.331 Z: 24 33.409 2.029 0.932 0.853 0.957 0.565 CA 1.373 24 residues pruned to eliminate duplicates Z: 22 30.003 2.030 0.769 0.897 0.952 0.762 CB 1.371 22 residues pruned to eliminate duplicates Z: 19 11.899 1.834 0.581 0.459 0.889 0.611 CB 1.135 19 residues pruned to eliminate duplicates Z: 12 17.773 1.930 0.842 0.906 0.909 0.818 CB 1.180 12 residues pruned to eliminate duplicates Z: 28 23.379 1.878 0.562 0.711 1.000 0.778 CB 1.267 28 residues pruned to eliminate duplicates Z: 6 3.896 1.538 0.685 0.481 0.600 0.600 N 1.142 Z: 97 33.182 1.853 0.448 0.602 0.948 0.708 CB 1.208 84 residues pruned to eliminate duplicates Z: 14 17.290 1.708 0.665 0.884 1.000 0.692 CA 1.218 14 residues pruned to eliminate duplicates Z: 16 11.340 1.772 0.713 0.560 0.867 0.733 CB 1.050 16 residues pruned to eliminate duplicates Z: 50 28.619 1.927 0.557 0.577 0.939 0.531 CB 1.348 48 residues pruned to eliminate duplicates Z: 10 11.464 1.679 0.504 0.895 1.000 0.889 CB 1.084 10 residues pruned to eliminate duplicates Z: 22 22.304 1.983 0.286 0.919 1.000 0.952 CA 1.346 22 residues pruned to eliminate duplicates Z: 16 22.777 2.021 0.929 0.535 1.000 0.400 CB 1.458 17 residues pruned to eliminate duplicates Z: 50 30.211 1.955 0.816 0.487 0.878 0.571 CB 1.403 50 residues pruned to eliminate duplicates Z: 8 3.134 1.521 -0.120 0.408 0.857 0.571 CB 1.138 7 residues pruned to eliminate duplicates Z: 54 29.323 1.953 0.842 0.589 0.906 0.585 CB 1.135 54 residues pruned to eliminate duplicates Z: 13 20.175 1.973 0.819 0.838 1.000 0.750 CB 1.213 12 residues pruned to eliminate duplicates Z: 18 9.931 1.720 0.483 0.435 0.941 0.765 CB 1.073 18 residues pruned to eliminate duplicates Z: 41 37.136 2.081 1.014 0.533 0.900 0.550 CB 1.506 41 residues pruned to eliminate duplicates Z: 23 30.249 2.040 0.667 0.872 0.955 0.682 CA 1.448 23 residues pruned to eliminate duplicates Z: 38 16.710 1.854 0.468 0.421 0.838 0.514 CB 1.308 38 residues pruned to eliminate duplicates Z: 26 14.491 1.779 0.914 0.451 0.880 0.320 CB 1.017 25 residues pruned to eliminate duplicates Z: 39 14.406 1.751 0.435 0.410 0.895 0.553 CB 1.143 39 residues pruned to eliminate duplicates Z: 23 29.370 2.056 0.628 0.893 0.955 0.955 CA 1.406 23 residues pruned to eliminate duplicates Z: 12 22.605 1.869 0.718 0.870 1.000 0.727 CA 1.549 12 residues pruned to eliminate duplicates Z: 22 23.910 1.981 0.502 0.894 0.905 0.762 CB 1.391 22 residues pruned to eliminate duplicates Z: 6 6.019 1.779 0.112 0.802 0.800 0.800 CA 1.307 6 residues pruned to eliminate duplicates Z: 14 20.107 1.866 1.099 0.811 0.846 0.462 CB 1.284 14 residues pruned to eliminate duplicates Z: 9 3.358 1.457 0.517 0.272 0.750 0.375 CB 0.928 Z: 11 9.600 1.747 0.174 0.820 0.900 0.400 CB 1.246 11 residues pruned to eliminate duplicates Z: 41 40.798 2.109 0.873 0.582 0.950 0.650 CB 1.589 40 residues pruned to eliminate duplicates Z: 39 29.856 1.998 0.799 0.577 0.921 0.526 CB 1.358 39 residues pruned to eliminate duplicates Z: 9 9.454 1.709 0.370 0.902 0.875 0.625 CB 1.163 9 residues pruned to eliminate duplicates Z: 6 3.024 1.594 0.179 0.615 0.800 0.800 N 0.806 Z: 7 6.655 1.605 0.687 0.504 1.000 0.500 CB 1.000 Z: 40 37.399 2.075 0.767 0.598 0.949 0.667 CB 1.568 40 residues pruned to eliminate duplicates Z: 65 27.651 1.855 0.576 0.531 0.922 0.656 CB 1.245 65 residues pruned to eliminate duplicates 6 1.711 1.314 0.208 0.678 1.000 0.800 CB 0.409 ? Z: 43 37.046 2.086 0.864 0.542 0.952 0.595 CB 1.482 43 residues pruned to eliminate duplicates Z: 11 20.286 2.122 0.929 0.919 1.000 0.800 CB 1.104 11 residues pruned to eliminate duplicates Z: 18 14.683 1.927 0.437 0.445 0.941 0.706 CB 1.446 18 residues pruned to eliminate duplicates Z: 23 27.600 2.037 0.652 0.863 0.864 0.727 CA 1.486 23 residues pruned to eliminate duplicates Z: 42 30.186 2.029 0.814 0.553 0.902 0.610 CA 1.348 42 residues pruned to eliminate duplicates Z: 10 8.111 1.705 0.284 0.628 0.889 0.667 CA 1.232 10 residues pruned to eliminate duplicates Z: 51 23.582 1.795 0.530 0.534 0.940 0.460 CB 1.249 61 residues pruned to eliminate duplicates Z: 53 28.069 1.868 0.651 0.583 0.923 0.538 CB 1.262 53 residues pruned to eliminate duplicates Z: 14 9.991 1.727 0.686 0.690 0.769 0.308 CB 1.040 14 residues pruned to eliminate duplicates Z: 7 3.968 1.714 0.208 0.381 0.667 0.500 CB 1.333 7 residues pruned to eliminate duplicates Z: 14 11.337 1.851 0.536 0.551 0.923 0.692 CB 1.140 14 residues pruned to eliminate duplicates Z: 8 4.044 1.592 0.348 0.341 0.714 0.571 CB 1.186 8 residues pruned to eliminate duplicates Z: 12 13.145 1.554 0.643 0.917 0.909 0.636 N 1.205 12 residues pruned to eliminate duplicates Z: 27 22.238 1.916 0.765 0.479 0.923 0.462 CB 1.428 27 residues pruned to eliminate duplicates Z: 15 14.485 1.943 0.744 0.420 0.857 0.571 CB 1.448 15 residues pruned to eliminate duplicates Z: 13 15.857 1.868 0.683 0.603 0.917 0.500 CA 1.440 13 residues pruned to eliminate duplicates Z: 13 12.210 1.889 0.571 0.494 0.917 0.500 CB 1.303 13 residues pruned to eliminate duplicates Z: 41 31.371 1.923 0.862 0.520 0.925 0.575 CB 1.469 41 residues pruned to eliminate duplicates Z: 33 32.456 2.008 0.848 0.603 0.969 0.656 CB 1.447 33 residues pruned to eliminate duplicates Z: 9 3.866 1.625 0.210 0.305 0.750 0.500 CB 1.151 9 residues pruned to eliminate duplicates Z: 51 23.514 1.868 0.408 0.555 0.960 0.700 CB 1.249 51 residues pruned to eliminate duplicates Z: 12 11.711 1.856 0.406 0.499 1.000 0.636 CB 1.355 12 residues pruned to eliminate duplicates Z: 23 38.946 2.066 1.003 0.907 1.000 0.727 CB 1.426 23 residues pruned to eliminate duplicates Z: 14 14.496 1.561 0.763 0.866 1.000 0.846 CA 1.070 14 residues pruned to eliminate duplicates Z: 36 26.243 1.991 0.839 0.499 0.943 0.629 CB 1.286 36 residues pruned to eliminate duplicates Z: 23 34.339 2.077 0.746 0.892 0.955 0.773 CA 1.519 23 residues pruned to eliminate duplicates Z: 7 3.478 1.835 -0.061 0.467 0.833 0.667 CB 1.024 Z: 24 23.769 1.868 0.818 0.638 0.913 0.565 CB 1.405 24 residues pruned to eliminate duplicates Z: 23 24.973 1.963 0.468 0.876 1.000 0.864 CB 1.342 23 residues pruned to eliminate duplicates Z: 39 22.033 1.897 0.313 0.705 0.947 0.658 CA 1.257 39 residues pruned to eliminate duplicates Z: 6 5.667 1.655 0.288 0.846 1.000 0.800 CB 0.883 6 residues pruned to eliminate duplicates Z: 41 38.030 2.128 0.975 0.528 0.925 0.450 CB 1.505 41 residues pruned to eliminate duplicates Z: 8 11.312 1.859 1.046 0.461 0.857 0.857 CA 1.366 Z: 11 8.982 1.487 0.366 0.805 0.900 0.600 N 1.191 11 residues pruned to eliminate duplicates Z: 14 11.307 1.727 0.567 0.786 0.923 0.846 CB 0.977 14 residues pruned to eliminate duplicates Z: 34 21.633 1.762 0.662 0.629 0.909 0.576 CB 1.253 34 residues pruned to eliminate duplicates Z: 42 23.657 1.869 0.441 0.651 0.951 0.854 CA 1.253 42 residues pruned to eliminate duplicates Z: 23 17.741 1.905 0.203 0.865 0.909 0.818 CB 1.330 23 residues pruned to eliminate duplicates Z: 33 28.616 1.957 0.603 0.650 0.969 0.625 CB 1.447 34 residues pruned to eliminate duplicates Z: 7 4.329 1.757 0.417 0.507 0.833 0.667 CB 0.846 7 residues pruned to eliminate duplicates Z: 6 7.446 1.663 0.401 0.538 1.000 0.400 CA 1.378 Z: 56 29.248 1.960 0.615 0.505 0.945 0.618 CB 1.312 56 residues pruned to eliminate duplicates Z: 6 3.678 1.514 0.157 0.619 1.000 0.600 CB 0.839 Z: 8 10.519 1.677 0.625 0.688 1.000 0.714 CB 1.228 7 residues pruned to eliminate duplicates Z: 43 23.261 1.905 0.599 0.520 0.881 0.690 CB 1.312 43 residues pruned to eliminate duplicates Z: 9 9.234 1.710 0.179 0.898 1.000 1.000 CB 1.158 9 residues pruned to eliminate duplicates Z: 33 32.187 2.151 0.902 0.527 0.906 0.562 CB 1.495 33 residues pruned to eliminate duplicates Z: 11 11.420 1.598 0.763 0.619 0.900 0.500 CA 1.273 11 residues pruned to eliminate duplicates Z: 11 14.402 1.776 0.802 0.665 0.900 0.700 CA 1.357 11 residues pruned to eliminate duplicates Z: 21 11.391 1.895 1.037 0.604 0.850 0.550 CB 0.703 18 residues pruned to eliminate duplicates Z: 14 7.112 1.693 0.396 0.479 0.846 0.692 CB 1.008 8 residues pruned to eliminate duplicates Z: 24 23.554 1.892 0.911 0.598 0.913 0.478 CB 1.355 24 residues pruned to eliminate duplicates 6 1.453 1.499 0.307 0.524 1.000 0.600 CB 0.324 ? Z: 48 34.262 1.991 0.803 0.573 0.957 0.532 CB 1.356 47 residues pruned to eliminate duplicates Z: 12 18.437 1.937 1.012 0.915 1.000 0.818 CB 1.008 12 residues pruned to eliminate duplicates Z: 8 6.001 1.628 0.775 0.914 1.000 1.000 CB 0.555 6 residues pruned to eliminate duplicates Z: 20 16.536 1.980 0.104 0.925 1.000 1.000 CA 1.219 20 residues pruned to eliminate duplicates Z: 37 18.028 1.854 0.286 0.584 0.889 0.667 CB 1.307 37 residues pruned to eliminate duplicates Z: 64 30.173 1.848 0.603 0.548 0.937 0.540 CB 1.307 64 residues pruned to eliminate duplicates Z: 41 31.396 1.990 0.804 0.496 0.950 0.550 CB 1.461 42 residues pruned to eliminate duplicates Z: 7 4.972 1.805 0.025 0.454 1.000 1.000 CB 1.150 7 residues pruned to eliminate duplicates Z: 44 24.907 1.892 0.540 0.555 0.953 0.721 CB 1.296 44 residues pruned to eliminate duplicates Z: 6 2.948 1.706 -0.173 0.463 1.000 0.400 CB 0.970 Z: 13 17.141 1.840 0.644 0.861 1.000 0.917 CB 1.202 13 residues pruned to eliminate duplicates Z: 41 34.777 2.017 0.883 0.494 0.975 0.575 CB 1.494 41 residues pruned to eliminate duplicates Z: 6 3.897 1.123 0.557 0.630 1.000 0.400 N 0.881 Z: 21 12.331 1.702 0.440 0.511 0.900 0.550 CB 1.237 23 residues pruned to eliminate duplicates Z: 12 8.238 1.854 0.879 0.551 0.818 0.455 CB 0.829 Z: 49 27.804 1.979 0.610 0.536 0.875 0.625 CB 1.389 49 residues pruned to eliminate duplicates Z: 13 17.230 1.921 0.659 0.837 1.000 0.750 CB 1.168 13 residues pruned to eliminate duplicates Z: 8 6.993 1.933 0.371 0.225 1.000 0.714 CB 1.377 8 residues pruned to eliminate duplicates Z: 8 4.870 1.481 0.615 0.491 0.857 0.571 CB 0.906 Z: 6 2.036 1.081 0.430 0.359 0.800 0.400 CB 0.857 Z: 8 8.906 1.635 0.644 0.810 1.000 0.857 CB 0.956 8 residues pruned to eliminate duplicates Z: 15 16.583 1.809 0.702 0.804 0.929 0.714 CA 1.189 15 residues pruned to eliminate duplicates Z: 10 5.031 1.445 0.787 0.309 0.778 0.333 CB 1.032 Z: 6 2.037 1.733 0.698 0.780 0.800 0.600 CB 0.302 Z: 63 29.099 1.934 0.780 0.437 0.855 0.581 CB 1.341 89 residues pruned to eliminate duplicates Z: 14 14.609 1.713 0.593 0.853 1.000 0.846 CA 1.098 14 residues pruned to eliminate duplicates Z: 47 33.459 1.998 0.759 0.608 0.935 0.674 CB 1.355 47 residues pruned to eliminate duplicates Z: 59 26.984 1.849 0.532 0.574 0.914 0.672 CB 1.275 59 residues pruned to eliminate duplicates Z: 8 7.975 1.753 0.171 0.776 1.000 1.000 CA 1.150 8 residues pruned to eliminate duplicates Z: 9 2.948 1.269 0.614 0.174 0.750 0.375 CB 1.006 Z: 24 22.278 1.978 0.309 0.888 1.000 0.913 CA 1.292 24 residues pruned to eliminate duplicates Z: 16 9.955 1.742 0.733 0.322 0.800 0.333 CB 1.294 16 residues pruned to eliminate duplicates Z: 6 3.260 1.504 0.180 0.479 1.000 1.000 N 0.838 Z: 13 31.381 2.087 1.320 0.894 1.000 0.583 CA 1.343 13 residues pruned to eliminate duplicates Z: 6 2.919 1.509 0.278 0.351 0.800 0.600 N 0.995 Z: 14 18.409 1.997 0.602 0.814 1.000 0.846 CA 1.214 14 residues pruned to eliminate duplicates Z: 14 3.378 1.424 0.275 0.196 0.769 0.231 CB 0.964 Z: 41 17.365 1.879 0.473 0.391 0.900 0.550 CB 1.236 41 residues pruned to eliminate duplicates Z: 12 14.547 1.923 0.340 0.918 1.000 1.000 CB 1.200 12 residues pruned to eliminate duplicates Z: 20 32.598 1.976 1.079 0.874 0.947 0.684 CB 1.398 20 residues pruned to eliminate duplicates Z: 22 17.966 1.809 0.726 0.491 0.905 0.667 CB 1.400 22 residues pruned to eliminate duplicates Z: 6 4.087 1.541 -0.026 0.661 1.000 0.600 CA 1.049 Z: 7 10.699 1.774 0.334 0.879 1.000 0.667 CA 1.339 7 residues pruned to eliminate duplicates Z: 7 8.748 1.856 0.303 0.861 1.000 0.833 CB 1.085 7 residues pruned to eliminate duplicates Z: 15 11.880 1.765 0.578 0.491 0.857 0.714 CA 1.343 15 residues pruned to eliminate duplicates Z: 11 8.159 1.550 0.311 0.598 1.000 0.800 CB 1.156 11 residues pruned to eliminate duplicates Z: 7 9.517 1.870 0.744 0.717 0.667 0.667 CA 1.469 7 residues pruned to eliminate duplicates Z: 23 19.972 1.901 0.738 0.810 0.818 0.455 CB 1.202 23 residues pruned to eliminate duplicates Z: 8 6.219 1.730 0.542 0.473 0.857 0.571 CB 1.057 8 residues pruned to eliminate duplicates Z: 11 11.919 1.637 0.334 0.895 1.000 0.700 CB 1.238 11 residues pruned to eliminate duplicates Z: 11 9.230 1.529 0.308 0.868 1.000 0.900 CA 1.067 11 residues pruned to eliminate duplicates Z: 7 7.687 1.621 0.793 0.817 1.000 0.833 CB 0.820 7 residues pruned to eliminate duplicates Z: 19 9.563 1.702 0.549 0.468 0.722 0.556 CB 1.223 19 residues pruned to eliminate duplicates Z: 12 10.239 1.552 0.288 0.886 1.000 0.909 CB 1.115 12 residues pruned to eliminate duplicates Z: 33 23.976 1.874 0.642 0.616 0.938 0.688 CB 1.316 33 residues pruned to eliminate duplicates Z: 12 8.878 1.633 0.598 0.471 0.818 0.455 CB 1.291 12 residues pruned to eliminate duplicates Z: 6 3.315 1.578 0.473 0.799 0.800 0.800 CB 0.614 6 residues pruned to eliminate duplicates Z: 15 14.699 1.909 0.754 0.529 0.929 0.643 CB 1.228 15 residues pruned to eliminate duplicates 6 1.064 1.554 0.271 0.871 0.800 0.800 CB 0.220 ? Z: 37 30.405 1.894 0.716 0.655 1.000 0.444 CB 1.351 37 residues pruned to eliminate duplicates Z: 7 7.344 1.712 0.390 0.792 1.000 1.000 CA 0.975 7 residues pruned to eliminate duplicates Z: 7 2.070 1.482 0.460 0.349 0.667 0.500 CB 0.690 Z: 13 3.104 1.523 0.219 0.334 0.667 0.250 CB 0.868 Z: 9 8.686 1.691 0.346 0.904 0.875 0.625 CB 1.098 9 residues pruned to eliminate duplicates Z: 10 9.542 1.560 0.289 0.903 1.000 0.778 CB 1.128 10 residues pruned to eliminate duplicates Z: 29 10.741 1.812 0.375 0.405 0.857 0.607 CB 1.050 31 residues pruned to eliminate duplicates Z: 24 34.425 2.028 0.910 0.669 1.000 0.739 CB 1.586 24 residues pruned to eliminate duplicates Z: 23 23.306 1.919 0.360 0.862 1.000 0.864 CB 1.398 23 residues pruned to eliminate duplicates Z: 6 3.141 1.621 0.402 0.300 0.800 0.800 CB 0.966 Z: 21 14.336 1.717 0.596 0.545 0.850 0.400 CB 1.317 21 residues pruned to eliminate duplicates Z: 7 18.527 2.133 0.744 0.841 1.000 0.667 CA 1.516 7 residues pruned to eliminate duplicates Z: 29 14.940 1.813 0.586 0.404 0.857 0.464 CB 1.267 29 residues pruned to eliminate duplicates Z: 16 7.885 1.741 0.451 0.427 0.667 0.267 CB 1.305 16 residues pruned to eliminate duplicates Z: 6 3.739 1.579 0.552 0.382 0.800 0.400 N 0.968 Z: 40 30.972 2.015 0.761 0.503 0.923 0.564 CB 1.510 40 residues pruned to eliminate duplicates Z: 12 10.083 1.674 0.605 0.613 0.818 0.545 CB 1.242 12 residues pruned to eliminate duplicates Z: 10 11.062 1.867 0.409 0.917 1.000 1.000 CB 0.989 10 residues pruned to eliminate duplicates Z: 8 2.275 1.632 0.048 0.327 0.571 0.429 CB 1.064 Z: 44 30.596 2.038 0.794 0.505 0.907 0.605 CA 1.400 45 residues pruned to eliminate duplicates Z: 33 23.828 1.921 0.753 0.504 0.875 0.594 CA 1.424 33 residues pruned to eliminate duplicates Z: 21 17.990 1.851 0.394 0.612 1.000 0.700 CB 1.402 21 residues pruned to eliminate duplicates Z: 41 33.649 2.007 0.792 0.531 0.950 0.550 CB 1.510 41 residues pruned to eliminate duplicates Z: 12 21.209 2.051 0.779 0.878 1.000 1.000 CA 1.272 12 residues pruned to eliminate duplicates Z: 7 2.703 1.446 0.142 0.249 0.833 0.667 C 1.070 Z: 12 12.614 1.884 0.594 0.871 1.000 0.727 CB 0.924 12 residues pruned to eliminate duplicates Z: 7 6.144 1.556 0.376 0.885 1.000 1.000 CB 0.846 7 residues pruned to eliminate duplicates Z: 6 2.939 1.605 0.189 0.296 0.800 0.600 N 1.082 Z: 6 3.635 1.656 1.109 0.609 0.800 0.600 CB 0.525 Z: 6 3.031 1.432 0.563 0.685 0.800 0.800 N 0.639 6 residues pruned to eliminate duplicates Z: 26 15.908 1.917 0.790 0.479 0.840 0.480 CB 1.128 26 residues pruned to eliminate duplicates Z: 6 3.587 1.655 0.217 0.488 0.800 0.800 CB 1.008 Z: 25 22.163 1.918 0.894 0.628 0.917 0.833 CB 1.205 30 residues pruned to eliminate duplicates Z: 13 7.613 1.741 0.195 0.574 0.917 0.667 CA 1.073 13 residues pruned to eliminate duplicates Z: 10 3.248 1.684 0.259 0.262 0.778 0.556 CB 0.862 9 residues pruned to eliminate duplicates Z: 11 3.730 1.571 0.248 0.347 0.900 0.500 CB 0.789 11 residues pruned to eliminate duplicates Z: 51 25.796 1.909 0.438 0.631 0.900 0.660 CB 1.305 53 residues pruned to eliminate duplicates Z: 18 18.005 1.835 0.431 0.846 0.941 0.706 CA 1.312 18 residues pruned to eliminate duplicates Z: 18 13.095 1.854 0.787 0.372 0.824 0.471 CB 1.336 18 residues pruned to eliminate duplicates Z: 42 34.642 2.030 0.896 0.517 0.902 0.561 CB 1.532 42 residues pruned to eliminate duplicates Z: 12 18.599 1.943 0.960 0.863 0.909 0.727 CB 1.188 12 residues pruned to eliminate duplicates 6 0.775 1.015 0.299 0.408 1.000 0.600 CB 0.290 ? Z: 10 11.488 1.587 0.584 0.911 1.000 1.000 CB 1.079 10 residues pruned to eliminate duplicates Z: 44 30.219 1.968 0.770 0.592 0.953 0.605 CB 1.271 44 residues pruned to eliminate duplicates Z: 9 6.071 1.570 0.430 0.560 1.000 1.000 CB 0.902 9 residues pruned to eliminate duplicates Z: 6 6.599 1.721 0.091 0.857 1.000 0.800 CA 1.158 6 residues pruned to eliminate duplicates Z: 25 9.230 1.667 0.414 0.522 0.833 0.333 CB 0.938 25 residues pruned to eliminate duplicates Z: 13 8.013 1.719 0.438 0.494 0.750 0.333 CB 1.254 13 residues pruned to eliminate duplicates Z: 13 14.514 1.867 0.513 0.858 1.000 0.750 CA 1.092 13 residues pruned to eliminate duplicates Z: 10 3.264 1.430 0.476 0.334 0.667 0.444 CA 0.926 10 residues pruned to eliminate duplicates Z: 6 2.873 1.549 0.750 0.448 0.600 0.600 CB 0.833 Z: 44 26.549 1.957 0.465 0.631 0.907 0.651 CA 1.376 44 residues pruned to eliminate duplicates Z: 12 32.810 2.127 1.250 0.909 1.000 0.727 CA 1.467 12 residues pruned to eliminate duplicates Z: 7 3.126 1.551 0.241 0.290 0.667 0.500 O 1.258 7 residues pruned to eliminate duplicates Z: 15 10.635 1.863 0.573 0.409 0.857 0.571 CB 1.244 15 residues pruned to eliminate duplicates Z: 43 32.378 2.056 0.735 0.537 0.857 0.524 CB 1.575 43 residues pruned to eliminate duplicates Z: 29 18.753 1.886 0.638 0.552 0.929 0.607 CB 1.174 29 residues pruned to eliminate duplicates Z: 109 38.358 1.972 0.680 0.458 0.889 0.537 CB 1.309 108 residues pruned to eliminate duplicates Z: 11 12.536 1.768 0.708 0.714 1.000 0.700 CB 1.081 11 residues pruned to eliminate duplicates Z: 20 24.473 1.936 0.456 0.921 1.000 0.895 CA 1.401 20 residues pruned to eliminate duplicates Z: 11 16.222 1.916 0.426 0.919 1.000 1.000 CB 1.323 11 residues pruned to eliminate duplicates Z: 6 4.793 1.407 0.758 0.487 0.800 0.400 N 1.098 6 residues pruned to eliminate duplicates Z: 33 31.784 2.083 0.736 0.564 0.938 0.781 CB 1.558 33 residues pruned to eliminate duplicates Z: 12 15.931 1.940 0.770 0.893 0.909 0.818 CB 1.105 12 residues pruned to eliminate duplicates Z: 7 4.044 1.506 0.593 0.413 0.667 0.333 CB 1.130 8 1.824 1.412 -0.146 0.208 0.857 0.429 CB 0.942 ? Z: 10 6.368 1.498 0.640 0.807 0.889 0.667 CB 0.744 10 residues pruned to eliminate duplicates Z: 41 28.849 1.928 0.701 0.508 0.950 0.500 CB 1.452 41 residues pruned to eliminate duplicates Z: 15 11.494 2.019 0.462 0.306 0.857 0.571 CA 1.508 15 residues pruned to eliminate duplicates Z: 22 15.162 1.988 0.598 0.356 0.857 0.571 CB 1.419 22 residues pruned to eliminate duplicates Z: 8 5.865 1.555 0.248 0.386 1.000 0.429 CA 1.289 Z: 35 34.130 2.045 0.753 0.695 1.000 0.824 CB 1.367 35 residues pruned to eliminate duplicates Z: 47 25.890 1.872 0.485 0.572 0.913 0.674 CA 1.403 47 residues pruned to eliminate duplicates Z: 20 14.415 1.909 0.497 0.522 0.895 0.632 CA 1.266 20 residues pruned to eliminate duplicates Z: 45 18.157 1.836 0.573 0.444 0.818 0.523 CB 1.227 45 residues pruned to eliminate duplicates Z: 6 8.351 1.881 0.442 0.726 1.000 1.000 CA 1.123 6 residues pruned to eliminate duplicates Z: 9 9.292 1.799 0.694 0.614 0.875 0.625 CB 1.107 9 residues pruned to eliminate duplicates Z: 6 6.028 1.353 0.815 0.521 1.000 0.400 CA 1.075 6 residues pruned to eliminate duplicates Z: 12 25.938 2.033 1.092 0.887 1.000 0.727 CA 1.326 12 residues pruned to eliminate duplicates Z: 18 8.346 1.527 0.515 0.547 0.882 0.412 CB 0.947 18 residues pruned to eliminate duplicates Z: 9 7.409 1.581 0.647 0.667 0.875 0.750 CB 0.985 9 residues pruned to eliminate duplicates Z: 9 4.863 1.649 0.396 0.367 0.750 0.375 CB 1.149 Z: 9 9.428 1.654 0.242 0.664 1.000 0.750 CA 1.394 9 residues pruned to eliminate duplicates Z: 42 26.204 1.927 0.693 0.533 0.902 0.634 CB 1.346 54 residues pruned to eliminate duplicates Z: 7 3.926 1.720 0.570 0.255 1.000 0.500 CB 0.787 7 residues pruned to eliminate duplicates Z: 20 12.785 1.789 0.397 0.466 0.947 0.421 CA 1.282 19 residues pruned to eliminate duplicates Z: 6 3.877 1.647 0.560 0.267 0.800 0.400 CB 1.099 Z: 9 3.538 1.625 0.479 0.297 0.625 0.375 CB 1.045 Z: 46 23.990 1.876 0.607 0.522 0.933 0.556 CB 1.243 46 residues pruned to eliminate duplicates Z: 23 28.289 2.040 0.625 0.895 0.955 0.909 CA 1.367 23 residues pruned to eliminate duplicates Z: 13 17.484 1.844 0.676 0.918 1.000 0.667 CB 1.151 13 residues pruned to eliminate duplicates Z: 44 28.331 1.983 0.826 0.524 0.860 0.605 CB 1.355 44 residues pruned to eliminate duplicates Z: 26 13.482 1.720 0.606 0.424 0.800 0.360 CB 1.321 18 residues pruned to eliminate duplicates Z: 9 6.480 1.783 0.235 0.427 0.875 0.750 CB 1.283 Z: 9 4.161 1.629 0.694 0.292 0.875 0.750 CB 0.769 6 residues pruned to eliminate duplicates Z: 15 14.201 1.819 0.612 0.529 0.857 0.571 CA 1.468 Z: 21 20.342 2.047 0.673 0.582 0.900 0.400 CB 1.364 21 residues pruned to eliminate duplicates Z: 22 12.566 1.919 0.557 0.294 0.905 0.429 CB 1.278 22 residues pruned to eliminate duplicates Z: 38 19.994 1.900 0.471 0.580 0.892 0.649 CB 1.221 38 residues pruned to eliminate duplicates Z: 12 10.199 1.522 0.117 0.894 1.000 0.909 O 1.298 12 residues pruned to eliminate duplicates Z: 9 3.529 1.318 0.333 0.602 0.750 0.625 CB 0.859 Z: 42 31.667 2.073 0.950 0.478 0.854 0.488 CB 1.466 42 residues pruned to eliminate duplicates Z: 8 6.247 1.396 0.731 0.564 0.857 0.571 CA 1.071 Z: 37 19.787 1.888 0.612 0.410 0.917 0.583 CB 1.298 37 residues pruned to eliminate duplicates Z: 15 14.348 1.804 0.770 0.535 1.000 0.786 CA 1.160 15 residues pruned to eliminate duplicates Z: 10 5.742 1.583 0.590 0.421 0.667 0.444 N 1.238 10 residues pruned to eliminate duplicates Z: 40 23.454 1.868 0.558 0.549 0.897 0.667 CB 1.370 40 residues pruned to eliminate duplicates Z: 37 19.095 1.848 0.459 0.473 0.889 0.583 CB 1.364 37 residues pruned to eliminate duplicates Z: 9 8.461 1.889 0.170 0.563 0.875 0.625 CA 1.456 9 residues pruned to eliminate duplicates Z: 8 3.545 1.587 0.280 0.223 1.000 0.714 CB 0.912 Z: 26 14.941 1.928 0.432 0.621 0.880 0.760 CB 1.098 26 residues pruned to eliminate duplicates Z: 8 3.481 1.441 0.312 0.308 0.857 0.429 N 1.005 Z: 41 24.018 1.915 0.469 0.579 0.925 0.675 CA 1.352 41 residues pruned to eliminate duplicates Z: 6 9.556 1.783 0.854 0.728 1.000 1.000 CB 1.053 6 residues pruned to eliminate duplicates Z: 10 9.237 1.745 0.257 0.642 0.889 0.556 CB 1.382 10 residues pruned to eliminate duplicates Z: 6 5.592 1.716 0.086 0.622 1.000 0.800 CB 1.197 Z: 8 10.752 1.787 0.782 0.474 1.000 0.571 CA 1.310 8 residues pruned to eliminate duplicates Z: 13 11.611 1.859 0.565 0.726 0.833 0.583 CB 1.127 13 residues pruned to eliminate duplicates Z: 22 18.974 2.001 0.756 0.401 0.857 0.381 CB 1.526 22 residues pruned to eliminate duplicates 7 1.822 1.366 0.336 0.368 0.833 0.500 CB 0.564 ? Z: 16 12.054 1.783 0.867 0.389 0.867 0.333 CB 1.214 16 residues pruned to eliminate duplicates Z: 25 30.665 2.023 0.882 0.660 0.958 0.625 CB 1.478 25 residues pruned to eliminate duplicates Z: 6 2.527 1.297 0.249 0.534 0.800 0.800 CB 0.843 Z: 9 8.183 1.501 0.563 0.861 0.875 0.500 CB 1.035 9 residues pruned to eliminate duplicates Z: 11 18.844 1.861 0.941 0.903 1.000 0.800 CB 1.175 11 residues pruned to eliminate duplicates Z: 21 11.607 1.884 0.391 0.566 0.950 0.600 CB 0.978 21 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 7 5.551 1.606 0.820 0.483 0.833 0.667 CA 0.947 7 residues pruned to eliminate duplicates Z: 47 23.549 1.923 0.642 0.507 0.913 0.630 CB 1.196 64 residues pruned to eliminate duplicates Z: 46 24.867 1.925 0.672 0.473 0.889 0.533 CB 1.332 44 residues pruned to eliminate duplicates Z: 14 15.875 2.075 0.877 0.784 0.923 0.769 CB 0.954 Z: 13 17.472 2.035 0.938 0.838 0.917 0.750 CB 1.043 12 residues pruned to eliminate duplicates Z: 13 20.266 1.911 1.177 0.876 1.000 0.750 CB 1.022 15 residues pruned to eliminate duplicates Z: 13 18.939 1.930 1.128 0.925 1.000 0.750 CB 0.934 12 residues pruned to eliminate duplicates Z: 11 13.749 2.071 1.062 0.906 1.000 0.900 CB 0.724 11 residues pruned to eliminate duplicates Z: 38 26.302 2.010 0.815 0.505 0.919 0.568 CB 1.283 52 residues pruned to eliminate duplicates Z: 43 23.442 1.946 0.725 0.501 0.857 0.476 CB 1.256 43 residues pruned to eliminate duplicates Z: 40 28.223 2.039 0.858 0.522 0.923 0.641 CB 1.265 40 residues pruned to eliminate duplicates Z: 28 24.111 2.013 0.925 0.603 0.926 0.593 CB 1.173 8 residues pruned to eliminate duplicates Z: 13 21.847 1.926 1.015 0.888 1.000 0.833 CB 1.171 17 residues pruned to eliminate duplicates Z: 14 20.497 1.848 1.137 0.862 1.000 0.615 CB 1.057 13 residues pruned to eliminate duplicates Z: 12 23.026 2.118 1.052 0.920 1.000 0.818 CB 1.125 12 residues pruned to eliminate duplicates Z: 52 23.473 1.879 0.798 0.539 0.843 0.431 CB 1.110 77 residues pruned to eliminate duplicates Z: 39 25.639 2.029 0.810 0.501 0.895 0.605 CB 1.265 39 residues pruned to eliminate duplicates Z: 44 23.692 1.963 0.775 0.468 0.884 0.581 CB 1.212 44 residues pruned to eliminate duplicates Z: 12 17.421 1.969 1.181 0.406 0.909 0.636 CA 1.485 Z: 7 4.049 1.444 0.440 0.500 1.000 0.500 CB 0.795 7 residues pruned to eliminate duplicates Z: 18 11.786 1.822 0.728 0.395 0.824 0.529 CB 1.231 18 residues pruned to eliminate duplicates Z: 16 21.301 1.983 0.855 0.735 1.000 0.733 CB 1.211 16 residues pruned to eliminate duplicates Z: 15 16.841 1.939 0.788 0.725 0.929 0.714 CB 1.142 15 residues pruned to eliminate duplicates Z: 30 17.898 1.819 0.682 0.514 0.862 0.552 CB 1.243 26 residues pruned to eliminate duplicates Z: 12 17.683 1.944 0.764 0.889 1.000 0.909 CB 1.119 12 residues pruned to eliminate duplicates Z: 27 18.529 1.896 0.807 0.522 0.885 0.692 CB 1.173 27 residues pruned to eliminate duplicates Z: 15 16.395 1.959 0.802 0.673 0.929 0.786 CB 1.139 15 residues pruned to eliminate duplicates Z: 70 33.468 1.958 0.622 0.617 0.884 0.623 CB 1.285 70 residues pruned to eliminate duplicates Z: 25 20.015 1.984 0.857 0.534 0.875 0.458 CB 1.225 25 residues pruned to eliminate duplicates Z: 15 21.045 1.940 0.998 0.852 1.000 0.857 CB 1.073 21 residues pruned to eliminate duplicates Z: 14 15.830 1.772 0.935 0.858 1.000 0.769 CB 0.943 14 residues pruned to eliminate duplicates Z: 16 19.174 1.974 0.929 0.715 1.000 0.800 CB 1.070 14 residues pruned to eliminate duplicates Z: 10 21.548 2.049 1.349 0.924 1.000 0.889 CB 1.048 10 residues pruned to eliminate duplicates Z: 32 18.919 1.872 0.869 0.563 0.871 0.677 CB 1.049 32 residues pruned to eliminate duplicates Z: 9 8.248 1.991 0.795 0.357 0.875 0.500 CA 1.088 9 residues pruned to eliminate duplicates Z: 41 25.534 1.913 0.827 0.575 0.875 0.600 CB 1.228 41 residues pruned to eliminate duplicates Z: 13 11.785 1.951 0.772 0.391 0.917 0.583 CB 1.205 13 residues pruned to eliminate duplicates Z: 13 11.083 1.965 0.688 0.369 0.833 0.500 CA 1.332 13 residues pruned to eliminate duplicates Z: 39 23.530 1.935 0.600 0.521 0.868 0.526 CB 1.390 39 residues pruned to eliminate duplicates Z: 12 7.646 1.998 0.366 0.373 0.818 0.455 CA 1.183 12 residues pruned to eliminate duplicates Z: 22 20.442 1.980 0.674 0.545 0.857 0.571 CA 1.503 22 residues pruned to eliminate duplicates Z: 27 17.914 1.948 0.445 0.471 0.885 0.615 CB 1.453 27 residues pruned to eliminate duplicates Z: 63 30.514 1.945 0.608 0.544 0.871 0.581 CA 1.363 63 residues pruned to eliminate duplicates Z: 26 14.256 1.876 0.424 0.409 0.840 0.520 CA 1.397 26 residues pruned to eliminate duplicates Z: 6 5.388 1.870 0.280 0.621 0.800 0.800 CB 1.122 6 residues pruned to eliminate duplicates Z: 17 19.759 1.890 0.631 0.662 0.938 0.375 CB 1.472 17 residues pruned to eliminate duplicates Z: 47 30.930 1.943 0.492 0.692 0.957 0.739 CA 1.380 47 residues pruned to eliminate duplicates Z: 15 17.299 1.985 0.506 0.618 0.857 0.429 N 1.614 15 residues pruned to eliminate duplicates Z: 20 18.558 1.943 0.514 0.637 0.947 0.579 CB 1.344 20 residues pruned to eliminate duplicates Z: 53 37.339 1.999 0.700 0.647 0.962 0.712 CB 1.381 53 residues pruned to eliminate duplicates Z: 16 14.410 1.887 0.498 0.593 0.800 0.533 CB 1.506 16 residues pruned to eliminate duplicates Z: 16 17.042 1.923 0.620 0.594 0.800 0.467 CB 1.614 16 residues pruned to eliminate duplicates Z: 15 15.905 1.825 0.547 0.551 0.929 0.714 CA 1.542 15 residues pruned to eliminate duplicates Z: 17 22.719 1.921 0.663 0.670 1.000 0.812 CB 1.519 17 residues pruned to eliminate duplicates Z: 20 20.000 1.928 0.627 0.596 1.000 0.737 CB 1.334 20 residues pruned to eliminate duplicates Z: 26 16.846 1.852 0.568 0.475 0.920 0.640 CB 1.294 26 residues pruned to eliminate duplicates Z: 45 34.474 2.009 0.467 0.702 0.977 0.750 CA 1.501 45 residues pruned to eliminate duplicates Z: 52 31.201 1.990 0.468 0.643 0.922 0.804 CA 1.420 52 residues pruned to eliminate duplicates Z: 52 36.259 2.016 0.549 0.654 1.000 0.804 CA 1.409 52 residues pruned to eliminate duplicates Z: 45 34.113 1.981 0.543 0.710 0.977 0.750 CB 1.423 45 residues pruned to eliminate duplicates Z: 45 32.961 1.989 0.518 0.690 0.977 0.727 CA 1.415 45 residues pruned to eliminate duplicates Z: 53 39.534 1.998 0.681 0.665 0.981 0.673 CA 1.429 53 residues pruned to eliminate duplicates Z: 37 28.669 1.975 0.484 0.666 1.000 0.694 CA 1.398 37 residues pruned to eliminate duplicates Z: 47 36.770 1.987 0.681 0.678 0.957 0.761 CB 1.441 47 residues pruned to eliminate duplicates Z: 54 36.208 1.963 0.635 0.662 0.943 0.755 CA 1.413 54 residues pruned to eliminate duplicates Z: 31 28.186 2.039 0.508 0.736 0.967 0.833 CA 1.401 31 residues pruned to eliminate duplicates Z: 32 21.915 1.962 0.486 0.674 0.903 0.710 CA 1.273 32 residues pruned to eliminate duplicates Z: 34 30.672 2.025 0.662 0.692 0.939 0.788 CA 1.417 34 residues pruned to eliminate duplicates Z: 45 34.813 1.989 0.648 0.689 0.932 0.682 CA 1.445 45 residues pruned to eliminate duplicates Z: 26 24.854 2.026 0.605 0.794 0.920 0.720 CA 1.284 26 residues pruned to eliminate duplicates Z: 27 26.149 2.048 0.534 0.776 0.923 0.692 CA 1.385 27 residues pruned to eliminate duplicates Z: 35 32.519 2.013 0.741 0.670 0.941 0.706 CB 1.446 35 residues pruned to eliminate duplicates Z: 34 29.543 1.992 0.711 0.678 0.939 0.727 CA 1.363 34 residues pruned to eliminate duplicates Z: 32 34.136 2.062 0.733 0.733 0.935 0.806 CA 1.487 32 residues pruned to eliminate duplicates Z: 78 35.431 1.914 0.635 0.573 0.935 0.636 CB 1.287 78 residues pruned to eliminate duplicates Z: 32 34.157 2.084 0.723 0.715 0.968 0.742 CA 1.453 32 residues pruned to eliminate duplicates Z: 44 35.958 2.001 0.757 0.708 0.930 0.628 CB 1.387 44 residues pruned to eliminate duplicates Z: 27 29.671 2.028 0.832 0.776 0.923 0.654 CA 1.330 27 residues pruned to eliminate duplicates Z: 35 29.686 2.003 0.718 0.643 0.971 0.588 CB 1.333 35 residues pruned to eliminate duplicates Z: 51 36.328 1.986 0.665 0.680 0.960 0.740 CB 1.372 51 residues pruned to eliminate duplicates Z: 35 25.876 1.983 0.579 0.666 0.882 0.647 CA 1.378 35 residues pruned to eliminate duplicates Z: 53 38.164 1.997 0.748 0.648 0.923 0.596 CB 1.431 53 residues pruned to eliminate duplicates Z: 25 32.826 2.065 0.785 0.846 0.958 0.792 CA 1.409 25 residues pruned to eliminate duplicates Z: 62 38.598 1.985 0.703 0.651 0.934 0.656 CB 1.359 62 residues pruned to eliminate duplicates Z: 53 39.969 1.993 0.738 0.642 1.000 0.654 CB 1.401 53 residues pruned to eliminate duplicates Z: 54 36.215 1.970 0.643 0.633 0.925 0.755 CB 1.467 54 residues pruned to eliminate duplicates Z: 54 40.122 1.997 0.661 0.661 0.981 0.736 CB 1.460 54 residues pruned to eliminate duplicates Z: 32 32.918 2.082 0.670 0.732 1.000 0.710 CA 1.381 32 residues pruned to eliminate duplicates Z: 57 38.068 1.952 0.748 0.601 0.964 0.679 CB 1.404 57 residues pruned to eliminate duplicates Z: 54 38.106 1.999 0.769 0.629 0.943 0.642 CB 1.390 54 residues pruned to eliminate duplicates Z: 42 26.834 1.903 0.677 0.595 0.878 0.659 CA 1.366 42 residues pruned to eliminate duplicates Z: 51 40.347 2.016 0.716 0.670 0.980 0.520 CB 1.439 51 residues pruned to eliminate duplicates Z: 32 33.468 2.094 0.632 0.754 1.000 0.774 CA 1.402 32 residues pruned to eliminate duplicates Z: 20 12.392 1.868 0.579 0.401 0.842 0.263 CB 1.270 20 residues pruned to eliminate duplicates Z: 7 6.121 1.911 0.673 0.543 0.667 0.167 CB 1.124 7 residues pruned to eliminate duplicates Z: 10 6.809 1.546 0.601 0.458 0.778 0.444 N 1.231 10 residues pruned to eliminate duplicates Z: 32 15.157 1.853 0.522 0.424 0.903 0.484 CB 1.157 32 residues pruned to eliminate duplicates Z: 12 12.985 1.847 0.635 0.545 1.000 0.455 CB 1.241 12 residues pruned to eliminate duplicates Z: 38 18.132 1.883 0.590 0.467 0.892 0.541 CB 1.154 41 residues pruned to eliminate duplicates Z: 13 12.126 1.885 0.659 0.558 0.833 0.417 CB 1.270 13 residues pruned to eliminate duplicates Z: 38 19.254 1.906 0.597 0.441 0.892 0.486 CB 1.239 39 residues pruned to eliminate duplicates Z: 11 8.593 1.753 0.436 0.507 0.900 0.500 CB 1.191 11 residues pruned to eliminate duplicates Z: 39 18.939 1.888 0.556 0.442 0.895 0.500 CB 1.240 39 residues pruned to eliminate duplicates Z: 38 15.270 1.866 0.395 0.407 0.892 0.486 CB 1.192 38 residues pruned to eliminate duplicates Z: 35 17.253 1.887 0.556 0.399 0.912 0.588 CB 1.230 35 residues pruned to eliminate duplicates Z: 31 16.133 1.898 0.504 0.369 0.900 0.533 CB 1.320 31 residues pruned to eliminate duplicates Z: 42 18.970 1.886 0.663 0.380 0.902 0.537 CB 1.189 43 residues pruned to eliminate duplicates Z: 6 6.891 1.605 0.650 0.389 1.000 0.800 CA 1.309 6 residues pruned to eliminate duplicates Z: 39 17.148 1.875 0.526 0.409 0.921 0.526 CB 1.161 39 residues pruned to eliminate duplicates Z: 39 18.730 1.878 0.523 0.413 0.947 0.553 CB 1.229 39 residues pruned to eliminate duplicates Z: 38 19.708 1.913 0.684 0.446 0.919 0.622 CB 1.156 38 residues pruned to eliminate duplicates Z: 39 18.297 1.896 0.500 0.432 0.895 0.526 CB 1.251 39 residues pruned to eliminate duplicates Z: 37 16.398 1.837 0.611 0.397 0.861 0.444 CB 1.196 37 residues pruned to eliminate duplicates Z: 38 17.239 1.900 0.509 0.415 0.919 0.541 CB 1.176 38 residues pruned to eliminate duplicates Z: 39 18.338 1.840 0.686 0.403 0.868 0.500 CB 1.224 38 residues pruned to eliminate duplicates Z: 6 8.511 1.883 0.916 0.465 0.800 0.600 CA 1.367 6 residues pruned to eliminate duplicates Z: 40 16.290 1.852 0.495 0.434 0.846 0.513 CB 1.192 40 residues pruned to eliminate duplicates Z: 28 14.887 1.868 0.615 0.407 0.889 0.556 CB 1.178 28 residues pruned to eliminate duplicates Z: 30 16.414 1.905 0.611 0.393 0.897 0.483 CB 1.241 30 residues pruned to eliminate duplicates Z: 36 16.819 1.879 0.476 0.488 0.857 0.543 CB 1.210 36 residues pruned to eliminate duplicates Z: 28 14.563 1.920 0.519 0.379 0.889 0.556 CB 1.229 28 residues pruned to eliminate duplicates Z: 38 17.958 1.881 0.597 0.420 0.892 0.514 CB 1.198 38 residues pruned to eliminate duplicates Z: 6 6.160 1.838 0.439 0.577 0.800 0.200 CB 1.208 6 residues pruned to eliminate duplicates Z: 13 4.382 1.580 0.458 0.215 0.833 0.250 CB 0.921 13 residues pruned to eliminate duplicates Z: 16 12.455 1.791 0.584 0.598 0.933 0.667 CB 1.106 16 residues pruned to eliminate duplicates Z: 39 20.764 1.890 0.619 0.427 0.974 0.474 CB 1.219 39 residues pruned to eliminate duplicates Z: 8 13.235 1.946 1.065 0.615 0.714 0.286 CA 1.563 10 residues pruned to eliminate duplicates Z: 8 10.411 1.858 0.467 0.615 1.000 0.857 CA 1.295 8 residues pruned to eliminate duplicates Z: 16 18.111 1.922 0.811 0.422 1.000 0.467 CB 1.458 16 residues pruned to eliminate duplicates Z: 41 34.593 2.019 0.720 0.538 0.975 0.550 CA 1.556 40 residues pruned to eliminate duplicates Z: 7 9.565 1.841 0.734 0.720 0.667 0.500 CA 1.503 7 residues pruned to eliminate duplicates Z: 42 34.050 2.022 0.777 0.542 0.927 0.634 CB 1.532 41 residues pruned to eliminate duplicates Z: 10 9.830 1.827 0.799 0.477 0.667 0.444 CB 1.531 10 residues pruned to eliminate duplicates Z: 41 33.950 1.992 0.670 0.570 1.000 0.625 CB 1.508 42 residues pruned to eliminate duplicates Z: 6 3.329 1.312 0.380 0.407 1.000 0.800 CA 0.906 6 residues pruned to eliminate duplicates Z: 44 28.456 1.988 0.585 0.490 0.930 0.558 CB 1.495 44 residues pruned to eliminate duplicates Z: 39 32.126 2.054 0.705 0.530 0.921 0.579 CB 1.569 39 residues pruned to eliminate duplicates Z: 40 34.706 2.022 0.759 0.517 1.000 0.538 CB 1.537 40 residues pruned to eliminate duplicates Z: 41 30.672 1.992 0.712 0.522 0.925 0.625 CB 1.503 41 residues pruned to eliminate duplicates Z: 40 31.503 2.017 0.622 0.533 0.974 0.615 CA 1.532 40 residues pruned to eliminate duplicates Z: 39 35.611 2.066 0.714 0.557 0.974 0.632 CB 1.585 39 residues pruned to eliminate duplicates Z: 40 30.564 2.005 0.654 0.522 0.949 0.564 CB 1.521 40 residues pruned to eliminate duplicates Z: 40 32.904 2.032 0.825 0.498 0.923 0.538 CA 1.542 40 residues pruned to eliminate duplicates Z: 40 28.214 2.007 0.636 0.507 0.923 0.615 CB 1.480 40 residues pruned to eliminate duplicates Z: 40 34.508 2.027 0.725 0.529 0.974 0.590 CB 1.576 40 residues pruned to eliminate duplicates Z: 40 36.203 2.013 0.824 0.540 0.974 0.538 CB 1.558 40 residues pruned to eliminate duplicates Z: 40 34.206 2.034 0.842 0.543 0.949 0.615 CB 1.477 40 residues pruned to eliminate duplicates Z: 40 31.634 2.005 0.873 0.500 0.897 0.436 CB 1.503 40 residues pruned to eliminate duplicates Z: 39 34.413 2.038 0.925 0.502 0.947 0.553 CB 1.499 39 residues pruned to eliminate duplicates Z: 42 33.444 1.946 0.836 0.552 0.951 0.585 CB 1.462 42 residues pruned to eliminate duplicates Z: 41 31.310 2.017 0.765 0.529 0.900 0.600 CB 1.502 41 residues pruned to eliminate duplicates Z: 29 30.514 2.011 0.851 0.562 0.964 0.429 CB 1.513 29 residues pruned to eliminate duplicates Z: 6 11.121 1.676 1.067 0.548 1.000 0.600 CB 1.370 6 residues pruned to eliminate duplicates Z: 41 32.493 2.037 0.814 0.455 0.950 0.525 CB 1.533 41 residues pruned to eliminate duplicates Z: 6 3.331 1.390 0.386 0.397 1.000 0.600 CA 0.863 6 residues pruned to eliminate duplicates Z: 9 6.255 1.636 0.621 0.574 1.000 0.875 CB 0.776 6 residues pruned to eliminate duplicates Z: 6 3.284 1.578 0.587 0.427 1.000 0.800 CA 0.633 6 residues pruned to eliminate duplicates Z: 26 13.692 1.852 0.500 0.359 0.880 0.520 CB 1.304 26 residues pruned to eliminate duplicates Z: 25 11.508 1.844 0.450 0.353 0.917 0.417 CB 1.124 25 residues pruned to eliminate duplicates Z: 46 26.027 1.954 0.729 0.495 0.911 0.578 CB 1.267 46 residues pruned to eliminate duplicates Z: 44 27.891 1.994 0.797 0.510 0.930 0.535 CB 1.264 46 residues pruned to eliminate duplicates Z: 10 5.799 1.299 0.863 0.527 1.000 0.333 CA 0.777 10 residues pruned to eliminate duplicates Z: 46 27.588 1.959 0.771 0.557 0.867 0.489 CB 1.294 46 residues pruned to eliminate duplicates Z: 45 25.052 1.963 0.711 0.494 0.909 0.591 CB 1.244 45 residues pruned to eliminate duplicates Z: 47 25.812 1.958 0.757 0.469 0.913 0.522 CB 1.251 47 residues pruned to eliminate duplicates Z: 41 23.498 1.978 0.657 0.503 0.900 0.575 CB 1.256 41 residues pruned to eliminate duplicates Z: 45 26.213 1.981 0.732 0.501 0.909 0.568 CB 1.266 45 residues pruned to eliminate duplicates Z: 39 26.903 2.017 0.740 0.542 0.921 0.605 CB 1.296 39 residues pruned to eliminate duplicates Z: 29 20.323 1.996 0.624 0.512 0.964 0.607 CB 1.213 29 residues pruned to eliminate duplicates Z: 48 25.778 1.932 0.699 0.515 0.957 0.553 CB 1.178 48 residues pruned to eliminate duplicates Z: 50 26.309 1.922 0.745 0.531 0.918 0.510 CB 1.184 50 residues pruned to eliminate duplicates Z: 50 26.376 1.975 0.711 0.499 0.918 0.612 CB 1.216 50 residues pruned to eliminate duplicates Z: 17 18.663 1.889 0.615 0.787 1.000 0.875 CB 1.189 17 residues pruned to eliminate duplicates Z: 29 20.337 1.990 0.634 0.542 0.929 0.643 CB 1.222 29 residues pruned to eliminate duplicates Z: 42 22.552 1.964 0.628 0.478 0.951 0.561 CB 1.184 42 residues pruned to eliminate duplicates Z: 29 20.390 1.998 0.770 0.538 0.821 0.643 CB 1.277 29 residues pruned to eliminate duplicates Z: 34 16.713 1.859 0.612 0.486 0.909 0.576 CB 1.082 34 residues pruned to eliminate duplicates Z: 26 24.765 2.054 0.716 0.576 0.960 0.520 CB 1.361 26 residues pruned to eliminate duplicates Z: 33 22.409 1.950 0.695 0.568 0.938 0.688 CB 1.197 33 residues pruned to eliminate duplicates Z: 31 19.436 1.993 0.770 0.557 0.867 0.700 CB 1.098 31 residues pruned to eliminate duplicates Z: 41 25.313 1.969 0.781 0.514 0.925 0.650 CB 1.216 41 residues pruned to eliminate duplicates Z: 27 20.328 2.013 0.655 0.601 0.962 0.808 CB 1.130 27 residues pruned to eliminate duplicates Z: 49 24.414 1.927 0.625 0.493 0.938 0.500 CB 1.210 49 residues pruned to eliminate duplicates Z: 27 22.316 1.997 0.707 0.603 0.962 0.692 CB 1.211 27 residues pruned to eliminate duplicates Z: 43 24.478 1.972 0.726 0.518 0.881 0.619 CB 1.237 43 residues pruned to eliminate duplicates Z: 33 20.229 1.948 0.802 0.507 0.875 0.562 CB 1.157 33 residues pruned to eliminate duplicates Z: 9 17.062 2.079 0.979 0.497 1.000 0.750 CA 1.471 9 residues pruned to eliminate duplicates Z: 16 11.740 1.746 0.751 0.466 0.867 0.667 CB 1.184 16 residues pruned to eliminate duplicates Z: 30 22.445 1.937 0.710 0.590 0.966 0.655 CB 1.195 30 residues pruned to eliminate duplicates Z: 41 28.545 2.004 0.848 0.539 0.925 0.625 CB 1.268 41 residues pruned to eliminate duplicates Z: 41 27.858 1.951 0.872 0.509 0.925 0.475 CB 1.292 41 residues pruned to eliminate duplicates Z: 22 16.223 1.808 0.771 0.476 0.905 0.476 CB 1.252 22 residues pruned to eliminate duplicates Z: 24 16.769 1.796 0.699 0.554 0.913 0.435 CB 1.191 24 residues pruned to eliminate duplicates Z: 34 15.058 1.790 0.258 0.546 0.879 0.576 CA 1.267 34 residues pruned to eliminate duplicates Z: 43 22.543 1.923 0.702 0.450 0.857 0.619 CB 1.305 43 residues pruned to eliminate duplicates Z: 21 16.107 1.889 0.629 0.585 0.850 0.600 CB 1.269 21 residues pruned to eliminate duplicates Z: 21 16.182 1.836 0.702 0.486 0.850 0.500 CA 1.382 21 residues pruned to eliminate duplicates Z: 51 28.311 1.943 0.495 0.605 0.900 0.580 CB 1.386 51 residues pruned to eliminate duplicates Z: 20 13.543 1.797 0.686 0.447 0.947 0.474 CB 1.143 20 residues pruned to eliminate duplicates Z: 15 7.891 1.763 0.655 0.335 0.714 0.286 CA 1.211 15 residues pruned to eliminate duplicates Z: 14 12.780 1.796 0.627 0.632 0.923 0.538 CA 1.161 14 residues pruned to eliminate duplicates Z: 13 11.866 1.782 0.527 0.742 0.833 0.833 CA 1.216 13 residues pruned to eliminate duplicates Z: 16 10.231 1.744 0.571 0.582 0.800 0.533 CB 1.114 Z: 11 12.171 1.655 0.909 0.878 0.900 0.800 CB 0.983 15 residues pruned to eliminate duplicates Z: 13 10.651 1.652 0.644 0.662 0.833 0.417 CB 1.169 13 residues pruned to eliminate duplicates Z: 28 18.948 1.956 0.510 0.613 0.815 0.630 CA 1.361 28 residues pruned to eliminate duplicates Z: 12 7.954 1.917 0.314 0.449 0.909 0.455 CB 1.104 12 residues pruned to eliminate duplicates Z: 32 21.148 1.981 0.248 0.656 0.935 0.742 CA 1.422 32 residues pruned to eliminate duplicates Z: 32 20.354 1.888 0.483 0.655 0.903 0.613 CB 1.252 44 residues pruned to eliminate duplicates Z: 17 12.867 1.930 0.324 0.538 0.938 0.625 CB 1.294 17 residues pruned to eliminate duplicates Z: 29 22.874 2.029 0.256 0.733 0.964 0.786 CA 1.427 29 residues pruned to eliminate duplicates Z: 31 23.596 2.015 0.329 0.712 0.933 0.767 CB 1.423 31 residues pruned to eliminate duplicates Z: 28 25.977 2.001 0.509 0.745 0.926 0.778 CA 1.436 28 residues pruned to eliminate duplicates Z: 12 8.771 1.919 0.232 0.478 1.000 0.545 CB 1.143 12 residues pruned to eliminate duplicates Z: 14 14.472 1.946 0.365 0.668 1.000 0.692 CA 1.294 14 residues pruned to eliminate duplicates Z: 27 24.109 2.036 0.352 0.767 0.962 0.769 CA 1.410 27 residues pruned to eliminate duplicates Z: 48 24.875 1.921 0.509 0.600 0.851 0.574 CA 1.338 48 residues pruned to eliminate duplicates Z: 13 13.361 1.989 0.666 0.536 0.917 0.750 CB 1.226 13 residues pruned to eliminate duplicates Z: 16 13.897 1.869 0.645 0.482 0.933 0.600 CA 1.273 16 residues pruned to eliminate duplicates Z: 41 25.796 2.001 0.442 0.669 0.925 0.650 CA 1.307 41 residues pruned to eliminate duplicates Z: 26 26.527 2.100 0.457 0.787 0.960 0.760 CA 1.403 26 residues pruned to eliminate duplicates Z: 40 22.325 1.941 0.402 0.634 0.923 0.667 CA 1.255 40 residues pruned to eliminate duplicates Z: 31 22.718 1.961 0.315 0.676 0.967 0.700 CA 1.415 31 residues pruned to eliminate duplicates Z: 29 28.414 2.070 0.621 0.695 0.964 0.857 CA 1.388 29 residues pruned to eliminate duplicates Z: 30 29.395 2.064 0.690 0.719 0.931 0.759 CA 1.379 30 residues pruned to eliminate duplicates Z: 84 41.235 2.010 0.649 0.604 0.928 0.735 CB 1.333 84 residues pruned to eliminate duplicates Z: 31 30.867 2.072 0.780 0.688 0.967 0.733 CB 1.331 31 residues pruned to eliminate duplicates Z: 48 29.594 1.926 0.671 0.636 0.894 0.574 CB 1.321 48 residues pruned to eliminate duplicates Z: 33 27.177 2.001 0.611 0.664 0.906 0.719 CB 1.414 33 residues pruned to eliminate duplicates Z: 47 26.362 1.871 0.558 0.614 0.891 0.587 CB 1.344 47 residues pruned to eliminate duplicates Z: 34 26.431 1.986 0.672 0.645 0.909 0.697 CB 1.331 34 residues pruned to eliminate duplicates Z: 31 31.028 2.058 0.689 0.695 0.967 0.800 CB 1.411 31 residues pruned to eliminate duplicates Z: 85 39.996 1.994 0.683 0.600 0.881 0.631 CB 1.342 85 residues pruned to eliminate duplicates Z: 83 43.448 2.015 0.689 0.629 0.951 0.683 CB 1.313 83 residues pruned to eliminate duplicates Z: 43 30.397 2.021 0.816 0.608 0.929 0.714 CB 1.242 43 residues pruned to eliminate duplicates Z: 83 44.123 2.017 0.788 0.627 0.927 0.646 CB 1.294 83 residues pruned to eliminate duplicates Z: 41 30.016 2.040 0.743 0.624 0.925 0.700 CB 1.284 41 residues pruned to eliminate duplicates Z: 48 29.088 1.953 0.751 0.580 0.915 0.596 CB 1.256 48 residues pruned to eliminate duplicates Z: 39 35.346 2.054 0.840 0.653 0.974 0.711 CB 1.351 39 residues pruned to eliminate duplicates Z: 100 43.118 1.955 0.763 0.622 0.899 0.576 CB 1.246 100 residues pruned to eliminate duplicates Z: 84 45.786 2.019 0.728 0.616 0.964 0.651 CB 1.339 85 residues pruned to eliminate duplicates 6 1.526 1.591 0.610 0.173 0.600 0.400 CA 0.660 ? Z: 7 4.122 1.309 1.329 0.434 1.000 0.500 N 0.591 7 residues pruned to eliminate duplicates Z: 83 41.178 2.013 0.717 0.599 0.927 0.659 CB 1.292 83 residues pruned to eliminate duplicates Z: 55 30.175 1.962 0.639 0.620 0.889 0.537 CB 1.282 55 residues pruned to eliminate duplicates Z: 104 42.596 1.957 0.713 0.584 0.922 0.563 CB 1.252 104 residues pruned to eliminate duplicates Z: 55 30.148 1.977 0.623 0.554 0.926 0.630 CB 1.310 55 residues pruned to eliminate duplicates Z: 47 27.761 1.971 0.613 0.567 0.913 0.609 CB 1.322 47 residues pruned to eliminate duplicates Z: 46 27.487 1.984 0.645 0.548 0.889 0.622 CB 1.348 46 residues pruned to eliminate duplicates Z: 47 29.802 1.993 0.660 0.571 0.913 0.630 CA 1.359 47 residues pruned to eliminate duplicates Z: 47 31.048 1.970 0.648 0.590 0.935 0.630 CA 1.384 47 residues pruned to eliminate duplicates Z: 46 32.928 2.009 0.638 0.603 0.978 0.689 CB 1.384 46 residues pruned to eliminate duplicates Z: 80 42.574 2.045 0.655 0.626 0.924 0.684 CB 1.360 80 residues pruned to eliminate duplicates Z: 47 29.849 2.004 0.709 0.565 0.935 0.652 CB 1.291 47 residues pruned to eliminate duplicates Z: 48 28.665 1.999 0.587 0.573 0.915 0.681 CB 1.343 48 residues pruned to eliminate duplicates Z: 39 30.241 2.058 0.684 0.615 0.895 0.684 CB 1.419 39 residues pruned to eliminate duplicates Z: 45 31.893 2.016 0.725 0.603 0.909 0.659 CB 1.379 45 residues pruned to eliminate duplicates Z: 46 30.259 1.996 0.706 0.575 0.933 0.689 CB 1.320 46 residues pruned to eliminate duplicates Z: 43 28.982 2.040 0.611 0.556 0.929 0.690 CB 1.388 43 residues pruned to eliminate duplicates Z: 39 31.910 2.038 0.720 0.618 0.895 0.632 CB 1.477 39 residues pruned to eliminate duplicates Z: 40 31.396 2.042 0.721 0.607 0.923 0.744 CB 1.400 40 residues pruned to eliminate duplicates Z: 39 32.307 2.011 0.797 0.604 0.895 0.737 CB 1.467 39 residues pruned to eliminate duplicates Z: 83 43.597 2.028 0.645 0.606 0.963 0.671 CB 1.354 83 residues pruned to eliminate duplicates Z: 44 30.422 2.044 0.632 0.587 0.907 0.744 CB 1.411 44 residues pruned to eliminate duplicates Z: 46 27.965 2.010 0.586 0.564 0.911 0.600 CB 1.349 46 residues pruned to eliminate duplicates Z: 48 29.367 1.958 0.608 0.556 0.957 0.681 CB 1.346 48 residues pruned to eliminate duplicates Z: 45 26.159 1.986 0.619 0.534 0.932 0.591 CB 1.272 45 residues pruned to eliminate duplicates Z: 84 34.036 1.969 0.606 0.498 0.916 0.566 CB 1.292 84 residues pruned to eliminate duplicates Z: 42 30.844 2.001 0.781 0.600 0.951 0.659 CB 1.292 42 residues pruned to eliminate duplicates Z: 45 28.507 2.015 0.591 0.564 0.909 0.659 CB 1.385 45 residues pruned to eliminate duplicates Z: 44 33.116 2.032 0.661 0.601 0.953 0.767 CB 1.425 44 residues pruned to eliminate duplicates Z: 88 41.871 1.999 0.641 0.595 0.954 0.644 CB 1.309 88 residues pruned to eliminate duplicates Z: 41 30.872 2.014 0.756 0.582 0.925 0.750 CB 1.379 41 residues pruned to eliminate duplicates Z: 46 34.957 2.013 0.801 0.574 0.978 0.689 CB 1.368 46 residues pruned to eliminate duplicates Z: 48 31.715 2.015 0.721 0.569 0.894 0.617 CB 1.396 48 residues pruned to eliminate duplicates Z: 45 30.791 2.014 0.759 0.552 0.932 0.682 CB 1.336 45 residues pruned to eliminate duplicates Z: 46 32.189 2.014 0.792 0.567 0.889 0.756 CB 1.402 46 residues pruned to eliminate duplicates Z: 15 18.389 1.991 0.901 0.702 0.929 0.786 CA 1.163 15 residues pruned to eliminate duplicates Z: 84 45.046 2.018 0.827 0.601 0.964 0.578 CB 1.264 84 residues pruned to eliminate duplicates Z: 82 46.060 2.035 0.749 0.605 0.975 0.728 CB 1.334 82 residues pruned to eliminate duplicates Z: 41 31.751 1.997 0.770 0.588 0.925 0.650 CB 1.411 41 residues pruned to eliminate duplicates Z: 80 45.128 2.020 0.703 0.623 0.962 0.620 CB 1.366 80 residues pruned to eliminate duplicates Z: 41 29.484 2.027 0.711 0.573 0.925 0.650 CB 1.354 41 residues pruned to eliminate duplicates Z: 46 33.236 2.003 0.752 0.577 0.956 0.711 CB 1.372 46 residues pruned to eliminate duplicates Z: 48 30.268 1.927 0.788 0.551 0.936 0.596 CB 1.302 48 residues pruned to eliminate duplicates Z: 47 29.042 1.957 0.757 0.562 0.891 0.630 CB 1.316 47 residues pruned to eliminate duplicates Z: 51 29.896 1.962 0.715 0.539 0.920 0.620 CB 1.313 51 residues pruned to eliminate duplicates Z: 45 34.400 2.024 0.770 0.601 0.955 0.659 CB 1.377 45 residues pruned to eliminate duplicates Z: 12 8.111 1.793 1.024 0.163 0.727 0.273 CA 1.397 Z: 7 3.344 1.487 0.355 0.557 1.000 1.000 CB 0.641 7 residues pruned to eliminate duplicates Z: 14 10.742 1.912 0.704 0.407 0.692 0.538 CB 1.456 38 residues pruned to eliminate duplicates Z: 8 8.550 1.533 0.835 0.539 1.000 0.429 CA 1.105 8 residues pruned to eliminate duplicates Z: 43 21.045 1.903 0.708 0.485 0.881 0.548 CB 1.151 45 residues pruned to eliminate duplicates Z: 7 10.083 1.681 1.205 0.448 1.000 0.500 CA 1.172 7 residues pruned to eliminate duplicates Z: 13 13.071 1.819 0.828 0.421 0.917 0.583 N 1.345 13 residues pruned to eliminate duplicates Z: 35 21.639 1.882 0.819 0.474 0.912 0.471 CB 1.221 35 residues pruned to eliminate duplicates Z: 21 10.806 1.780 0.472 0.364 0.850 0.700 CB 1.255 21 residues pruned to eliminate duplicates Z: 39 14.133 1.757 0.318 0.440 0.895 0.500 CB 1.177 39 residues pruned to eliminate duplicates Z: 29 14.062 1.842 0.395 0.391 0.893 0.679 CB 1.300 29 residues pruned to eliminate duplicates Z: 38 16.062 1.804 0.471 0.429 0.865 0.514 CB 1.239 38 residues pruned to eliminate duplicates Z: 47 16.243 1.746 0.499 0.390 0.870 0.630 CB 1.183 41 residues pruned to eliminate duplicates Z: 9 7.144 1.797 0.176 0.656 1.000 0.625 CB 1.033 9 residues pruned to eliminate duplicates Z: 20 10.925 1.744 0.468 0.389 0.842 0.526 CB 1.308 20 residues pruned to eliminate duplicates Z: 40 17.314 1.780 0.493 0.419 0.897 0.538 CB 1.265 40 residues pruned to eliminate duplicates Z: 37 16.476 1.826 0.565 0.412 0.889 0.639 CB 1.185 37 residues pruned to eliminate duplicates Z: 39 14.948 1.771 0.454 0.402 0.895 0.553 CB 1.167 39 residues pruned to eliminate duplicates Z: 37 16.980 1.828 0.508 0.418 0.889 0.528 CB 1.259 37 residues pruned to eliminate duplicates Z: 26 13.490 1.790 0.420 0.376 0.920 0.640 CB 1.317 26 residues pruned to eliminate duplicates Z: 30 12.947 1.761 0.463 0.357 0.897 0.586 CB 1.215 30 residues pruned to eliminate duplicates Z: 29 10.589 1.750 0.550 0.332 0.821 0.500 CB 1.080 29 residues pruned to eliminate duplicates Z: 41 17.079 1.831 0.515 0.383 0.900 0.700 CB 1.225 41 residues pruned to eliminate duplicates Z: 40 16.508 1.794 0.450 0.417 0.897 0.590 CB 1.235 40 residues pruned to eliminate duplicates Z: 41 14.593 1.764 0.456 0.407 0.850 0.575 CB 1.165 41 residues pruned to eliminate duplicates Z: 27 13.099 1.827 0.510 0.379 0.923 0.615 CB 1.147 27 residues pruned to eliminate duplicates Z: 39 14.757 1.808 0.570 0.397 0.842 0.500 CB 1.117 39 residues pruned to eliminate duplicates Z: 28 13.232 1.819 0.551 0.372 0.926 0.481 CB 1.118 28 residues pruned to eliminate duplicates Z: 28 14.416 1.848 0.579 0.387 0.889 0.593 CB 1.207 28 residues pruned to eliminate duplicates Z: 30 11.264 1.769 0.507 0.362 0.862 0.517 CB 1.055 30 residues pruned to eliminate duplicates Z: 36 14.467 1.753 0.635 0.420 0.829 0.400 CB 1.119 36 residues pruned to eliminate duplicates Z: 16 11.387 1.820 0.474 0.494 0.933 0.467 CB 1.182 16 residues pruned to eliminate duplicates Z: 38 18.427 1.838 0.531 0.413 0.946 0.568 CB 1.246 38 residues pruned to eliminate duplicates Z: 39 17.698 1.777 0.426 0.474 0.895 0.605 CB 1.300 39 residues pruned to eliminate duplicates Z: 40 17.053 1.804 0.538 0.407 0.923 0.590 CB 1.176 40 residues pruned to eliminate duplicates Z: 38 15.884 1.845 0.447 0.419 0.865 0.541 CB 1.230 38 residues pruned to eliminate duplicates Z: 39 16.671 1.790 0.433 0.439 0.921 0.500 CB 1.219 39 residues pruned to eliminate duplicates Z: 40 17.070 1.765 0.474 0.456 0.923 0.590 CB 1.191 40 residues pruned to eliminate duplicates Z: 27 13.846 1.845 0.507 0.393 0.885 0.615 CB 1.237 27 residues pruned to eliminate duplicates Z: 27 15.006 1.863 0.517 0.374 0.923 0.654 CB 1.290 27 residues pruned to eliminate duplicates Z: 33 14.232 1.825 0.468 0.375 0.844 0.719 CB 1.271 33 residues pruned to eliminate duplicates Z: 79 33.406 1.868 0.693 0.450 0.897 0.628 CB 1.402 86 residues pruned to eliminate duplicates 6 1.968 1.402 0.692 0.396 1.000 0.400 CA 0.414 ? Z: 7 3.540 1.277 0.773 0.448 0.667 0.500 CA 1.011 7 residues pruned to eliminate duplicates Z: 13 6.117 1.578 0.445 0.353 0.833 0.500 CB 1.090 4 residues pruned to eliminate duplicates Z: 7 5.168 1.572 0.432 0.582 1.000 0.833 CA 0.866 7 residues pruned to eliminate duplicates Z: 42 21.639 1.909 0.575 0.549 0.878 0.561 CB 1.220 42 residues pruned to eliminate duplicates Z: 17 10.284 1.798 0.620 0.317 0.938 0.250 CB 1.152 17 residues pruned to eliminate duplicates Z: 43 22.657 1.895 0.714 0.506 0.929 0.571 CB 1.152 43 residues pruned to eliminate duplicates Z: 18 9.181 1.869 0.473 0.413 0.765 0.471 CA 1.158 18 residues pruned to eliminate duplicates Z: 37 24.681 1.918 0.775 0.530 0.917 0.639 CB 1.280 37 residues pruned to eliminate duplicates Z: 27 20.164 1.954 0.695 0.541 0.923 0.423 CB 1.243 27 residues pruned to eliminate duplicates Z: 42 24.733 1.913 0.710 0.521 0.927 0.585 CB 1.248 41 residues pruned to eliminate duplicates Z: 15 19.794 1.954 0.746 0.786 1.000 0.786 CB 1.206 15 residues pruned to eliminate duplicates Z: 30 20.787 1.963 0.700 0.544 0.931 0.655 CB 1.191 30 residues pruned to eliminate duplicates Z: 27 17.759 1.930 0.718 0.587 0.846 0.654 CB 1.142 27 residues pruned to eliminate duplicates Z: 42 21.768 1.949 0.587 0.545 0.878 0.610 CB 1.198 42 residues pruned to eliminate duplicates Z: 34 22.960 1.968 0.696 0.541 0.939 0.606 CB 1.224 34 residues pruned to eliminate duplicates Z: 30 21.384 1.970 0.693 0.563 0.931 0.655 CB 1.203 30 residues pruned to eliminate duplicates Z: 19 18.067 1.977 0.764 0.614 0.889 0.611 CB 1.233 19 residues pruned to eliminate duplicates Z: 38 22.459 1.904 0.792 0.530 0.946 0.595 CB 1.110 38 residues pruned to eliminate duplicates Z: 15 15.202 1.964 0.758 0.655 1.000 0.857 CB 1.019 15 residues pruned to eliminate duplicates Z: 14 16.781 1.980 0.843 0.740 0.846 0.769 CB 1.215 14 residues pruned to eliminate duplicates Z: 30 20.043 1.947 0.671 0.537 0.931 0.690 CB 1.185 30 residues pruned to eliminate duplicates Z: 28 19.065 1.889 0.692 0.575 0.926 0.704 CB 1.154 28 residues pruned to eliminate duplicates Z: 41 22.515 1.957 0.605 0.530 0.900 0.650 CB 1.222 41 residues pruned to eliminate duplicates Z: 42 23.130 1.932 0.638 0.522 0.902 0.585 CB 1.238 42 residues pruned to eliminate duplicates Z: 42 20.774 1.887 0.650 0.479 0.878 0.488 CB 1.212 42 residues pruned to eliminate duplicates Z: 11 10.237 1.893 0.914 0.403 0.900 0.700 CB 1.099 11 residues pruned to eliminate duplicates Z: 13 12.827 1.835 0.632 0.433 0.917 0.667 CA 1.447 13 residues pruned to eliminate duplicates Z: 12 19.115 1.901 0.926 0.849 1.000 0.727 CB 1.166 12 residues pruned to eliminate duplicates Z: 31 17.472 1.949 0.651 0.537 0.900 0.633 CB 1.063 31 residues pruned to eliminate duplicates Z: 33 16.018 1.935 0.620 0.556 0.875 0.562 CB 0.978 33 residues pruned to eliminate duplicates Z: 29 19.437 1.945 0.793 0.560 0.929 0.571 CB 1.071 29 residues pruned to eliminate duplicates Z: 16 17.948 1.981 1.042 0.711 1.000 0.533 CB 0.946 16 residues pruned to eliminate duplicates Z: 21 11.531 1.870 0.695 0.619 0.850 0.650 CB 0.855 21 residues pruned to eliminate duplicates Z: 20 12.437 1.868 0.886 0.608 0.947 0.684 CB 0.771 20 residues pruned to eliminate duplicates Z: 16 12.832 1.940 0.573 0.685 0.933 0.467 CB 0.982 16 residues pruned to eliminate duplicates Z: 29 22.957 1.973 0.852 0.586 0.929 0.643 CB 1.177 29 residues pruned to eliminate duplicates Z: 30 20.789 2.003 0.635 0.456 0.931 0.621 CB 1.324 30 residues pruned to eliminate duplicates Z: 38 21.953 1.970 0.631 0.462 0.973 0.486 CB 1.199 38 residues pruned to eliminate duplicates Z: 22 16.960 1.923 0.573 0.509 1.000 0.667 CB 1.212 21 residues pruned to eliminate duplicates Z: 12 10.043 1.817 0.405 0.724 0.818 0.636 CB 1.184 12 residues pruned to eliminate duplicates Z: 15 19.479 1.950 0.626 0.690 1.000 0.786 CA 1.380 15 residues pruned to eliminate duplicates Z: 9 15.511 2.081 0.594 0.668 1.000 0.750 CA 1.416 9 residues pruned to eliminate duplicates Z: 21 15.706 1.967 0.633 0.455 0.850 0.550 CB 1.346 21 residues pruned to eliminate duplicates Z: 31 19.300 1.960 0.659 0.488 0.833 0.600 CB 1.317 31 residues pruned to eliminate duplicates Z: 21 18.956 1.925 0.720 0.465 1.000 0.650 CB 1.326 22 residues pruned to eliminate duplicates Z: 12 7.950 1.551 0.662 0.653 0.909 0.636 CA 0.887 12 residues pruned to eliminate duplicates Z: 30 20.433 1.998 0.779 0.398 0.897 0.517 CB 1.326 30 residues pruned to eliminate duplicates Z: 38 22.688 1.964 0.807 0.476 0.865 0.541 CB 1.245 37 residues pruned to eliminate duplicates Z: 7 4.734 1.555 0.598 0.470 0.833 0.500 CB 0.962 7 residues pruned to eliminate duplicates Z: 30 20.351 2.003 0.624 0.437 0.931 0.586 CB 1.332 30 residues pruned to eliminate duplicates Z: 21 19.279 2.040 0.841 0.403 1.000 0.600 CB 1.271 21 residues pruned to eliminate duplicates Z: 6 3.088 1.500 0.896 0.350 0.800 0.000 CA 0.714 6 residues pruned to eliminate duplicates Z: 31 19.842 1.917 0.687 0.445 0.900 0.433 CB 1.318 31 residues pruned to eliminate duplicates Z: 9 8.281 1.920 0.657 0.474 0.750 0.250 CA 1.259 9 residues pruned to eliminate duplicates Z: 31 23.134 1.963 0.737 0.479 0.933 0.533 CB 1.355 31 residues pruned to eliminate duplicates Z: 9 8.323 1.756 0.491 0.605 0.875 0.500 CB 1.162 9 residues pruned to eliminate duplicates Z: 31 21.540 2.003 0.671 0.455 0.967 0.533 CB 1.272 31 residues pruned to eliminate duplicates Z: 8 6.916 1.703 0.563 0.814 1.000 0.571 CB 0.747 8 residues pruned to eliminate duplicates Z: 31 23.202 1.989 0.802 0.478 0.967 0.667 CB 1.250 31 residues pruned to eliminate duplicates Z: 6 7.615 1.955 0.996 0.263 1.000 0.200 CB 1.144 6 residues pruned to eliminate duplicates Z: 35 22.969 1.992 0.729 0.472 0.912 0.588 CB 1.290 36 residues pruned to eliminate duplicates Z: 11 11.766 1.785 0.896 0.431 0.900 0.500 CB 1.312 11 residues pruned to eliminate duplicates Z: 20 17.889 1.954 0.843 0.464 0.842 0.368 CB 1.405 20 residues pruned to eliminate duplicates Z: 62 27.211 1.942 0.840 0.491 0.820 0.459 CB 1.201 89 residues pruned to eliminate duplicates Z: 7 5.408 1.764 0.740 0.654 0.500 0.500 CA 1.246 7 residues pruned to eliminate duplicates Z: 40 35.173 2.104 0.872 0.585 0.923 0.692 CB 1.428 40 residues pruned to eliminate duplicates Z: 19 17.774 1.989 0.735 0.469 0.889 0.500 CB 1.409 19 residues pruned to eliminate duplicates Z: 19 17.655 2.061 0.705 0.458 0.889 0.333 CB 1.390 19 residues pruned to eliminate duplicates Z: 41 35.904 2.096 0.882 0.545 0.925 0.650 CB 1.490 41 residues pruned to eliminate duplicates Z: 41 38.517 2.143 0.858 0.546 0.950 0.575 CB 1.540 41 residues pruned to eliminate duplicates Z: 45 35.193 2.037 0.910 0.522 0.909 0.568 CB 1.469 45 residues pruned to eliminate duplicates Z: 17 16.369 2.030 0.843 0.428 0.812 0.375 CB 1.450 17 residues pruned to eliminate duplicates Z: 40 38.768 2.128 0.788 0.561 0.974 0.641 CB 1.579 40 residues pruned to eliminate duplicates Z: 43 37.386 2.102 1.029 0.534 0.929 0.524 CB 1.409 43 residues pruned to eliminate duplicates Z: 34 29.557 2.131 0.782 0.510 0.909 0.576 CB 1.476 34 residues pruned to eliminate duplicates Z: 41 36.942 2.088 0.909 0.529 0.975 0.600 CB 1.461 41 residues pruned to eliminate duplicates Z: 42 33.901 2.091 0.963 0.526 0.854 0.634 CB 1.473 42 residues pruned to eliminate duplicates Z: 31 25.011 1.992 0.790 0.483 0.867 0.600 CB 1.502 31 residues pruned to eliminate duplicates Z: 39 35.018 2.102 0.896 0.529 0.921 0.579 CB 1.504 39 residues pruned to eliminate duplicates Z: 40 36.782 2.124 0.812 0.540 1.000 0.641 CB 1.473 40 residues pruned to eliminate duplicates Z: 35 32.209 2.096 0.868 0.540 0.912 0.529 CB 1.487 35 residues pruned to eliminate duplicates Z: 28 30.391 2.108 0.926 0.539 0.926 0.481 CB 1.497 Z: 12 34.845 2.200 1.227 0.871 1.000 0.727 CA 1.564 18 residues pruned to eliminate duplicates Z: 15 23.777 1.927 1.059 0.806 1.000 0.857 CA 1.227 13 residues pruned to eliminate duplicates Z: 12 33.815 2.127 1.255 0.866 1.000 0.636 CA 1.557 12 residues pruned to eliminate duplicates Z: 40 35.044 2.094 0.875 0.548 0.974 0.462 CB 1.399 64 residues pruned to eliminate duplicates Z: 45 35.572 2.061 0.903 0.493 0.955 0.432 CB 1.442 45 residues pruned to eliminate duplicates Z: 27 33.277 2.092 1.040 0.626 0.885 0.692 CB 1.535 Z: 15 31.959 2.167 1.093 0.754 1.000 0.714 CA 1.501 15 residues pruned to eliminate duplicates Z: 41 40.422 2.154 0.984 0.525 0.950 0.625 CB 1.536 68 residues pruned to eliminate duplicates Z: 29 30.834 2.062 0.866 0.524 0.964 0.393 CB 1.534 Z: 7 5.356 1.691 0.511 0.394 0.833 0.500 CA 1.149 7 residues pruned to eliminate duplicates Z: 41 37.679 2.124 0.904 0.525 0.950 0.500 CB 1.514 70 residues pruned to eliminate duplicates Z: 40 44.816 2.148 1.043 0.541 1.000 0.513 CB 1.571 40 residues pruned to eliminate duplicates Z: 28 31.653 2.076 1.017 0.579 0.926 0.519 CB 1.457 Z: 11 9.323 1.540 0.183 0.893 1.000 0.800 CA 1.162 11 residues pruned to eliminate duplicates Z: 14 11.212 1.664 0.419 0.647 1.000 0.692 CB 1.149 10 residues pruned to eliminate duplicates Z: 10 10.606 1.574 0.368 0.900 1.000 0.778 CB 1.173 10 residues pruned to eliminate duplicates Z: 16 11.654 1.639 0.544 0.611 0.933 0.733 CA 1.146 16 residues pruned to eliminate duplicates Z: 11 11.657 1.588 0.450 0.887 1.000 0.900 CA 1.155 11 residues pruned to eliminate duplicates Z: 16 10.477 1.624 0.477 0.631 0.933 0.667 CB 1.069 15 residues pruned to eliminate duplicates Z: 11 11.383 1.561 0.375 0.861 1.000 0.800 CA 1.232 11 residues pruned to eliminate duplicates Z: 18 12.887 1.850 0.558 0.422 0.941 0.588 CB 1.250 18 residues pruned to eliminate duplicates Z: 22 13.090 1.768 0.677 0.388 0.857 0.381 CB 1.265 22 residues pruned to eliminate duplicates Z: 40 19.800 1.873 0.543 0.437 0.897 0.590 CB 1.305 38 residues pruned to eliminate duplicates Z: 6 7.946 1.755 0.496 0.762 1.000 0.600 CB 1.073 6 residues pruned to eliminate duplicates Z: 38 21.230 1.885 0.683 0.451 0.865 0.432 CB 1.337 40 residues pruned to eliminate duplicates Z: 14 8.953 1.756 0.276 0.597 0.846 0.462 CA 1.194 14 residues pruned to eliminate duplicates Z: 37 22.635 1.906 0.637 0.434 0.917 0.444 CB 1.413 38 residues pruned to eliminate duplicates Z: 7 7.055 1.517 0.798 0.685 0.833 0.667 CA 1.069 7 residues pruned to eliminate duplicates Z: 21 13.856 1.707 0.597 0.382 1.000 0.450 CB 1.289 21 residues pruned to eliminate duplicates Z: 43 19.791 1.828 0.559 0.415 0.929 0.571 CB 1.261 49 residues pruned to eliminate duplicates Z: 39 20.432 1.875 0.583 0.401 0.895 0.421 CB 1.386 38 residues pruned to eliminate duplicates Z: 9 10.292 1.925 0.328 0.577 1.000 0.500 CA 1.322 9 residues pruned to eliminate duplicates Z: 23 10.366 1.709 0.491 0.257 0.864 0.545 CB 1.326 23 residues pruned to eliminate duplicates Z: 41 18.985 1.896 0.610 0.384 0.850 0.600 CB 1.310 41 residues pruned to eliminate duplicates Z: 38 17.695 1.886 0.546 0.408 0.838 0.378 CB 1.311 38 residues pruned to eliminate duplicates Z: 41 15.110 1.790 0.426 0.352 0.875 0.475 CB 1.255 41 residues pruned to eliminate duplicates Z: 27 18.719 1.887 0.640 0.425 0.885 0.500 CB 1.450 27 residues pruned to eliminate duplicates Z: 37 22.526 1.902 0.616 0.446 0.917 0.528 CB 1.408 37 residues pruned to eliminate duplicates Z: 23 12.950 1.830 0.442 0.328 0.955 0.455 CA 1.323 23 residues pruned to eliminate duplicates Z: 26 20.450 1.916 0.706 0.426 0.920 0.600 CB 1.468 27 residues pruned to eliminate duplicates Z: 10 12.168 1.755 0.500 0.746 1.000 0.667 CB 1.237 10 residues pruned to eliminate duplicates Z: 41 19.624 1.872 0.510 0.420 0.925 0.550 CB 1.289 41 residues pruned to eliminate duplicates Z: 40 20.905 1.867 0.599 0.397 0.897 0.462 CB 1.393 40 residues pruned to eliminate duplicates Z: 40 16.573 1.825 0.493 0.376 0.846 0.462 CB 1.315 40 residues pruned to eliminate duplicates Z: 89 29.694 1.869 0.559 0.442 0.886 0.534 CB 1.301 89 residues pruned to eliminate duplicates Z: 45 16.215 1.817 0.586 0.371 0.773 0.523 CB 1.260 45 residues pruned to eliminate duplicates Z: 38 21.659 1.903 0.612 0.433 0.892 0.459 CB 1.394 38 residues pruned to eliminate duplicates Z: 27 17.351 1.865 0.799 0.428 0.808 0.654 CB 1.353 27 residues pruned to eliminate duplicates Z: 25 13.280 1.733 0.459 0.399 1.000 0.500 CB 1.193 15 residues pruned to eliminate duplicates Z: 6 5.273 1.616 0.844 0.303 0.800 0.000 CA 1.232 6 residues pruned to eliminate duplicates Z: 38 20.146 1.889 0.458 0.420 0.946 0.622 CB 1.381 38 residues pruned to eliminate duplicates Z: 42 21.621 1.871 0.607 0.460 0.951 0.634 CB 1.230 43 residues pruned to eliminate duplicates Z: 9 6.780 1.619 0.691 0.588 0.750 0.750 CB 1.073 9 residues pruned to eliminate duplicates Z: 15 12.440 1.688 0.590 0.520 0.857 0.429 CB 1.418 15 residues pruned to eliminate duplicates Z: 12 15.556 1.781 0.901 0.579 0.909 0.364 CA 1.412 12 residues pruned to eliminate duplicates Z: 10 14.629 1.843 0.872 0.610 0.889 0.667 CA 1.433 10 residues pruned to eliminate duplicates Z: 36 19.231 1.813 0.707 0.383 0.857 0.571 CB 1.388 36 residues pruned to eliminate duplicates Z: 40 20.804 1.849 0.672 0.462 0.897 0.538 CB 1.248 41 residues pruned to eliminate duplicates Z: 11 11.915 1.593 0.701 0.707 1.000 0.700 CB 1.152 11 residues pruned to eliminate duplicates Z: 36 22.650 1.951 0.606 0.462 0.971 0.600 CB 1.308 36 residues pruned to eliminate duplicates Z: 43 20.364 1.893 0.578 0.416 0.952 0.548 CB 1.205 43 residues pruned to eliminate duplicates Z: 24 17.530 1.801 0.759 0.426 0.957 0.565 CB 1.302 24 residues pruned to eliminate duplicates Z: 36 23.779 1.947 0.645 0.488 0.943 0.743 CB 1.347 36 residues pruned to eliminate duplicates Z: 35 22.952 1.929 0.648 0.457 0.941 0.647 CB 1.375 35 residues pruned to eliminate duplicates Z: 21 19.791 1.934 0.698 0.408 1.000 0.750 CB 1.484 21 residues pruned to eliminate duplicates Z: 42 23.282 1.900 0.691 0.408 0.927 0.561 CB 1.345 40 residues pruned to eliminate duplicates Z: 8 11.988 1.748 1.153 0.464 1.000 0.571 CA 1.249 8 residues pruned to eliminate duplicates Z: 39 18.797 1.889 0.525 0.417 0.842 0.553 CB 1.372 39 residues pruned to eliminate duplicates Z: 43 20.955 1.917 0.593 0.393 0.929 0.548 CB 1.278 43 residues pruned to eliminate duplicates Z: 38 21.999 1.916 0.572 0.459 0.919 0.595 CB 1.362 38 residues pruned to eliminate duplicates Z: 39 20.477 1.898 0.557 0.439 0.895 0.684 CB 1.337 39 residues pruned to eliminate duplicates Z: 72 31.506 1.907 0.696 0.499 0.873 0.634 CB 1.325 95 residues pruned to eliminate duplicates Z: 6 3.070 1.582 0.350 0.238 0.800 0.600 CB 1.089 6 residues pruned to eliminate duplicates Z: 20 12.313 1.798 0.590 0.400 0.789 0.368 CB 1.390 20 residues pruned to eliminate duplicates Z: 39 19.677 1.886 0.466 0.469 0.895 0.605 CB 1.332 39 residues pruned to eliminate duplicates Z: 40 19.508 1.924 0.570 0.378 0.949 0.462 CB 1.241 40 residues pruned to eliminate duplicates Z: 38 22.059 1.904 0.599 0.487 0.892 0.622 CB 1.353 38 residues pruned to eliminate duplicates Z: 39 20.006 1.881 0.523 0.456 0.921 0.553 CB 1.287 39 residues pruned to eliminate duplicates Z: 43 19.291 1.867 0.622 0.398 0.881 0.476 CB 1.242 43 residues pruned to eliminate duplicates Z: 17 11.218 1.862 0.585 0.537 0.812 0.375 CB 1.128 17 residues pruned to eliminate duplicates Z: 41 21.488 1.956 0.573 0.416 0.950 0.625 CB 1.269 41 residues pruned to eliminate duplicates Z: 37 13.389 1.818 0.642 0.370 0.778 0.500 CB 1.104 20 residues pruned to eliminate duplicates Z: 10 9.411 1.844 0.252 0.574 1.000 0.556 CB 1.265 10 residues pruned to eliminate duplicates Z: 42 21.433 1.943 0.615 0.422 0.878 0.610 CB 1.318 42 residues pruned to eliminate duplicates Z: 40 22.068 1.921 0.693 0.365 0.897 0.487 CB 1.400 40 residues pruned to eliminate duplicates Z: 85 33.522 1.935 0.714 0.506 0.893 0.560 CB 1.228 85 residues pruned to eliminate duplicates Z: 101 38.514 1.907 0.628 0.543 0.940 0.530 CB 1.265 101 residues pruned to eliminate duplicates Z: 44 20.929 1.888 0.581 0.439 0.930 0.651 CB 1.223 44 residues pruned to eliminate duplicates Z: 10 6.141 1.922 0.387 0.298 0.778 0.333 CB 1.237 10 residues pruned to eliminate duplicates Z: 7 8.192 2.027 0.617 0.510 0.833 0.833 CB 1.213 7 residues pruned to eliminate duplicates Z: 47 29.437 1.893 0.690 0.567 0.935 0.761 CA 1.360 47 residues pruned to eliminate duplicates Z: 11 6.794 1.614 0.301 0.468 0.900 0.600 CA 1.174 10 residues pruned to eliminate duplicates Z: 6 3.845 1.607 0.287 0.393 0.800 0.600 CA 1.165 6 residues pruned to eliminate duplicates Z: 28 17.186 1.848 0.540 0.439 0.852 0.593 CB 1.453 44 residues pruned to eliminate duplicates Z: 38 25.735 1.942 0.705 0.594 0.892 0.676 CB 1.310 38 residues pruned to eliminate duplicates Z: 31 20.306 1.880 0.573 0.559 0.933 0.700 CB 1.269 31 residues pruned to eliminate duplicates Z: 26 19.226 1.941 0.746 0.447 0.920 0.680 CB 1.303 26 residues pruned to eliminate duplicates Z: 31 13.113 1.787 0.458 0.304 0.867 0.500 CB 1.319 31 residues pruned to eliminate duplicates Z: 43 26.210 1.926 0.547 0.587 0.952 0.667 CB 1.310 43 residues pruned to eliminate duplicates Z: 43 31.580 1.956 0.761 0.579 0.976 0.619 CB 1.344 43 residues pruned to eliminate duplicates Z: 46 26.285 1.895 0.682 0.496 0.889 0.556 CB 1.389 46 residues pruned to eliminate duplicates Z: 26 14.711 1.868 0.666 0.399 0.880 0.560 CB 1.195 26 residues pruned to eliminate duplicates Z: 43 29.937 1.936 0.695 0.553 0.952 0.595 CB 1.403 43 residues pruned to eliminate duplicates Z: 43 30.061 1.956 0.701 0.570 0.929 0.690 CB 1.404 43 residues pruned to eliminate duplicates Z: 31 23.515 1.922 0.748 0.528 0.900 0.567 CB 1.382 31 residues pruned to eliminate duplicates Z: 43 29.230 1.953 0.630 0.588 0.952 0.548 CA 1.368 43 residues pruned to eliminate duplicates Z: 43 29.180 1.953 0.658 0.574 0.952 0.738 CB 1.360 43 residues pruned to eliminate duplicates Z: 44 31.560 1.953 0.752 0.562 0.953 0.651 CB 1.389 44 residues pruned to eliminate duplicates Z: 45 22.466 1.867 0.518 0.557 0.909 0.568 CB 1.244 45 residues pruned to eliminate duplicates Z: 44 27.589 1.947 0.650 0.571 0.884 0.651 CB 1.384 44 residues pruned to eliminate duplicates Z: 46 24.954 1.830 0.683 0.501 0.933 0.622 CB 1.292 46 residues pruned to eliminate duplicates Z: 44 29.626 1.955 0.643 0.577 0.953 0.698 CB 1.369 44 residues pruned to eliminate duplicates Z: 44 27.016 1.944 0.618 0.551 0.930 0.581 CA 1.340 44 residues pruned to eliminate duplicates Z: 43 31.083 1.936 0.849 0.582 0.952 0.667 CB 1.300 43 residues pruned to eliminate duplicates Z: 44 30.875 1.935 0.759 0.564 0.977 0.651 CA 1.332 44 residues pruned to eliminate duplicates Z: 44 27.778 1.918 0.712 0.552 0.907 0.698 CA 1.352 44 residues pruned to eliminate duplicates Z: 47 27.600 1.895 0.741 0.525 0.935 0.587 CB 1.287 47 residues pruned to eliminate duplicates Z: 46 30.258 1.918 0.836 0.523 0.933 0.667 CB 1.341 46 residues pruned to eliminate duplicates Z: 44 28.685 1.950 0.801 0.540 0.884 0.674 CB 1.356 44 residues pruned to eliminate duplicates Z: 33 20.999 1.945 0.726 0.509 0.875 0.562 CB 1.253 33 residues pruned to eliminate duplicates Z: 15 6.094 1.697 0.313 0.332 0.714 0.429 CB 1.231 15 residues pruned to eliminate duplicates Z: 35 20.448 1.919 0.688 0.487 0.882 0.588 CB 1.244 35 residues pruned to eliminate duplicates Z: 34 19.247 1.944 0.759 0.470 0.818 0.606 CB 1.235 34 residues pruned to eliminate duplicates Z: 33 19.995 1.980 0.739 0.458 0.875 0.656 CB 1.225 33 residues pruned to eliminate duplicates Z: 34 20.617 1.938 0.692 0.482 0.848 0.636 CB 1.314 34 residues pruned to eliminate duplicates Z: 38 20.618 1.887 0.645 0.484 0.865 0.514 CB 1.283 38 residues pruned to eliminate duplicates Z: 45 22.972 1.860 0.677 0.446 0.932 0.659 CB 1.260 45 residues pruned to eliminate duplicates Z: 47 22.747 1.893 0.571 0.450 0.891 0.522 CB 1.332 47 residues pruned to eliminate duplicates Z: 37 22.380 1.902 0.664 0.473 0.917 0.611 CB 1.321 37 residues pruned to eliminate duplicates Z: 44 20.372 1.843 0.700 0.401 0.884 0.581 CB 1.245 44 residues pruned to eliminate duplicates Z: 43 18.717 1.852 0.609 0.438 0.857 0.619 CB 1.206 43 residues pruned to eliminate duplicates Z: 43 19.862 1.864 0.625 0.407 0.881 0.524 CB 1.265 43 residues pruned to eliminate duplicates Z: 43 21.400 1.917 0.635 0.435 0.881 0.524 CB 1.279 43 residues pruned to eliminate duplicates Z: 48 20.213 1.828 0.583 0.417 0.894 0.596 CB 1.244 48 residues pruned to eliminate duplicates Z: 46 22.056 1.899 0.654 0.433 0.911 0.622 CB 1.231 46 residues pruned to eliminate duplicates Z: 38 19.890 1.876 0.676 0.471 0.865 0.541 CB 1.239 38 residues pruned to eliminate duplicates Z: 47 21.608 1.883 0.714 0.398 0.870 0.543 CB 1.263 47 residues pruned to eliminate duplicates Z: 38 21.329 1.889 0.700 0.439 0.919 0.541 CB 1.265 38 residues pruned to eliminate duplicates Z: 38 19.403 1.884 0.585 0.446 0.919 0.595 CB 1.229 38 residues pruned to eliminate duplicates Z: 40 19.632 1.882 0.654 0.432 0.897 0.538 CB 1.208 40 residues pruned to eliminate duplicates Z: 42 23.976 1.940 0.730 0.460 0.902 0.634 CB 1.289 42 residues pruned to eliminate duplicates Z: 38 19.682 1.899 0.623 0.423 0.892 0.486 CB 1.276 38 residues pruned to eliminate duplicates Z: 39 18.678 1.873 0.638 0.421 0.868 0.579 CB 1.234 39 residues pruned to eliminate duplicates Z: 38 23.192 1.905 0.682 0.477 0.946 0.595 CB 1.288 38 residues pruned to eliminate duplicates Z: 40 19.400 1.869 0.647 0.431 0.872 0.538 CB 1.243 40 residues pruned to eliminate duplicates Z: 39 21.209 1.888 0.673 0.477 0.895 0.579 CB 1.246 39 residues pruned to eliminate duplicates Z: 37 21.139 1.928 0.624 0.462 0.917 0.556 CB 1.276 37 residues pruned to eliminate duplicates Z: 82 29.302 1.870 0.683 0.435 0.914 0.568 CB 1.211 82 residues pruned to eliminate duplicates Z: 45 19.435 1.855 0.669 0.391 0.818 0.545 CB 1.298 45 residues pruned to eliminate duplicates Z: 37 20.831 1.908 0.622 0.472 0.861 0.472 CB 1.340 37 residues pruned to eliminate duplicates Z: 39 20.835 1.893 0.577 0.463 0.868 0.684 CB 1.355 39 residues pruned to eliminate duplicates Z: 41 22.647 1.963 0.620 0.479 0.900 0.700 CB 1.278 41 residues pruned to eliminate duplicates Z: 42 20.419 1.899 0.538 0.450 0.854 0.659 CB 1.346 42 residues pruned to eliminate duplicates Z: 46 23.218 1.872 0.731 0.427 0.889 0.622 CB 1.297 46 residues pruned to eliminate duplicates Z: 43 19.457 1.875 0.574 0.451 0.857 0.619 CB 1.247 43 residues pruned to eliminate duplicates Z: 47 24.329 1.890 0.698 0.421 0.935 0.587 CB 1.299 47 residues pruned to eliminate duplicates Z: 38 20.731 1.889 0.666 0.472 0.919 0.649 CB 1.213 38 residues pruned to eliminate duplicates Z: 38 20.354 1.917 0.554 0.488 0.892 0.730 CB 1.275 38 residues pruned to eliminate duplicates Z: 43 22.416 1.924 0.772 0.433 0.881 0.595 CB 1.235 43 residues pruned to eliminate duplicates Z: 49 20.670 1.864 0.585 0.416 0.854 0.583 CB 1.291 49 residues pruned to eliminate duplicates Z: 47 22.757 1.902 0.609 0.421 0.891 0.609 CB 1.336 47 residues pruned to eliminate duplicates Z: 42 20.475 1.930 0.569 0.444 0.829 0.634 CB 1.348 42 residues pruned to eliminate duplicates Z: 41 22.048 1.950 0.707 0.416 0.875 0.575 CB 1.307 41 residues pruned to eliminate duplicates Z: 42 21.181 1.931 0.684 0.449 0.829 0.610 CB 1.293 42 residues pruned to eliminate duplicates Z: 41 23.106 1.941 0.584 0.461 0.950 0.575 CB 1.302 41 residues pruned to eliminate duplicates Z: 47 19.459 1.888 0.549 0.411 0.826 0.565 CB 1.303 47 residues pruned to eliminate duplicates Z: 43 19.521 1.891 0.595 0.428 0.857 0.619 CB 1.256 43 residues pruned to eliminate duplicates Z: 43 27.607 1.936 0.713 0.481 0.929 0.500 CA 1.411 43 residues pruned to eliminate duplicates Z: 41 30.549 1.957 0.844 0.524 0.900 0.600 CA 1.452 41 residues pruned to eliminate duplicates Z: 42 27.982 1.954 0.684 0.503 0.927 0.610 CA 1.428 42 residues pruned to eliminate duplicates Z: 18 17.849 1.954 0.805 0.363 0.941 0.471 CB 1.511 18 residues pruned to eliminate duplicates Z: 22 11.621 1.779 0.740 0.330 0.714 0.286 CB 1.382 22 residues pruned to eliminate duplicates Z: 25 18.023 1.926 0.707 0.382 0.875 0.458 CA 1.450 25 residues pruned to eliminate duplicates Z: 17 11.524 1.878 0.793 0.331 0.812 0.438 CB 1.267 17 residues pruned to eliminate duplicates Z: 17 14.462 1.890 0.810 0.394 0.875 0.625 CB 1.352 17 residues pruned to eliminate duplicates Z: 19 16.166 1.953 0.680 0.359 0.889 0.500 CA 1.522 19 residues pruned to eliminate duplicates Z: 18 16.274 1.931 0.738 0.401 0.882 0.471 CA 1.479 18 residues pruned to eliminate duplicates Z: 41 28.027 1.933 0.684 0.478 0.950 0.550 CB 1.466 41 residues pruned to eliminate duplicates Z: 42 32.066 1.981 0.830 0.523 0.927 0.683 CA 1.456 42 residues pruned to eliminate duplicates Z: 41 31.101 1.982 0.716 0.520 0.950 0.650 CA 1.492 41 residues pruned to eliminate duplicates Z: 42 26.362 1.945 0.671 0.508 0.878 0.585 CA 1.431 42 residues pruned to eliminate duplicates Z: 19 17.725 1.936 0.792 0.387 0.889 0.389 CA 1.528 19 residues pruned to eliminate duplicates Z: 42 30.214 1.949 0.839 0.533 0.902 0.610 CA 1.411 42 residues pruned to eliminate duplicates Z: 14 22.941 2.013 0.796 0.733 1.000 0.923 CA 1.428 14 residues pruned to eliminate duplicates Z: 42 30.997 1.986 0.805 0.503 0.927 0.707 CB 1.453 42 residues pruned to eliminate duplicates Z: 41 32.059 1.999 0.792 0.496 0.950 0.600 CB 1.495 41 residues pruned to eliminate duplicates Z: 42 30.586 1.955 0.884 0.525 0.878 0.683 CB 1.440 42 residues pruned to eliminate duplicates Z: 40 31.686 2.007 0.787 0.503 0.949 0.564 CA 1.487 40 residues pruned to eliminate duplicates Z: 42 34.019 1.991 0.892 0.481 0.976 0.659 CA 1.473 42 residues pruned to eliminate duplicates Z: 42 32.244 1.970 0.911 0.514 0.902 0.610 CA 1.462 42 residues pruned to eliminate duplicates Z: 12 22.341 1.966 0.924 0.836 1.000 0.636 CB 1.334 12 residues pruned to eliminate duplicates Z: 25 28.127 1.989 0.921 0.623 0.958 0.708 CA 1.396 25 residues pruned to eliminate duplicates Z: 41 32.001 1.990 0.895 0.506 0.900 0.475 CB 1.482 41 residues pruned to eliminate duplicates Z: 26 27.985 1.983 0.841 0.608 0.960 0.560 CB 1.442 26 residues pruned to eliminate duplicates Z: 41 32.006 2.016 0.847 0.492 0.900 0.575 CB 1.523 41 residues pruned to eliminate duplicates Z: 42 31.360 1.957 0.820 0.508 0.976 0.659 CA 1.398 42 residues pruned to eliminate duplicates Z: 41 32.166 1.983 0.891 0.475 0.950 0.475 CB 1.464 41 residues pruned to eliminate duplicates Z: 44 32.153 1.961 0.885 0.497 0.930 0.581 CA 1.430 44 residues pruned to eliminate duplicates Z: 26 29.232 1.955 1.040 0.613 0.960 0.520 CA 1.371 26 residues pruned to eliminate duplicates Z: 42 33.004 1.989 0.957 0.487 0.902 0.561 CA 1.487 42 residues pruned to eliminate duplicates Z: 24 27.888 2.010 1.049 0.641 0.870 0.783 CA 1.423 24 residues pruned to eliminate duplicates Z: 42 35.082 1.968 0.925 0.509 0.976 0.488 CB 1.470 42 residues pruned to eliminate duplicates Z: 6 3.250 1.460 0.479 0.289 0.800 0.400 O 1.066 6 residues pruned to eliminate duplicates Z: 40 39.358 2.080 0.941 0.553 0.974 0.590 CB 1.521 40 residues pruned to eliminate duplicates Z: 15 16.524 2.005 0.795 0.471 0.929 0.500 CB 1.362 Z: 8 15.179 1.885 1.029 0.704 0.857 0.286 CA 1.453 8 residues pruned to eliminate duplicates Z: 39 37.384 2.101 0.837 0.514 0.947 0.500 CB 1.635 54 residues pruned to eliminate duplicates Z: 17 14.232 1.937 1.020 0.243 0.875 0.375 CA 1.398 Z: 9 11.602 1.953 0.899 0.434 0.875 0.625 CA 1.353 9 residues pruned to eliminate duplicates Z: 67 32.758 2.001 0.800 0.415 0.879 0.591 CB 1.392 80 residues pruned to eliminate duplicates Z: 6 2.107 1.468 0.454 0.211 0.800 0.400 CB 0.776 6 residues pruned to eliminate duplicates Z: 32 36.806 2.123 0.953 0.566 0.935 0.677 CB 1.599 11 residues pruned to eliminate duplicates Z: 6 3.598 1.623 0.599 0.337 0.800 0.800 CB 0.926 6 residues pruned to eliminate duplicates Z: 39 38.538 2.120 0.876 0.561 0.921 0.658 CB 1.608 39 residues pruned to eliminate duplicates Z: 41 38.401 2.089 0.835 0.527 0.975 0.600 CB 1.583 41 residues pruned to eliminate duplicates Z: 39 42.709 2.121 0.980 0.563 0.947 0.579 CB 1.638 39 residues pruned to eliminate duplicates Z: 42 36.244 2.051 0.911 0.506 0.902 0.610 CB 1.591 42 residues pruned to eliminate duplicates Z: 40 38.074 2.086 0.913 0.509 0.923 0.513 CB 1.641 40 residues pruned to eliminate duplicates Z: 41 35.641 2.060 0.884 0.495 0.925 0.550 CB 1.578 41 residues pruned to eliminate duplicates Z: 40 33.765 2.095 0.930 0.529 0.821 0.590 CB 1.584 40 residues pruned to eliminate duplicates Z: 39 40.711 2.110 1.022 0.535 0.921 0.711 CB 1.624 39 residues pruned to eliminate duplicates Z: 13 26.548 1.978 1.038 0.840 1.000 0.583 CA 1.419 13 residues pruned to eliminate duplicates Z: 44 37.311 2.040 0.962 0.514 0.930 0.488 CB 1.507 44 residues pruned to eliminate duplicates Z: 50 31.605 2.020 0.822 0.442 0.898 0.531 CB 1.450 50 residues pruned to eliminate duplicates Z: 42 37.674 2.075 1.001 0.522 0.902 0.512 CB 1.536 42 residues pruned to eliminate duplicates Z: 40 38.427 2.079 1.037 0.502 0.949 0.513 CB 1.528 40 residues pruned to eliminate duplicates Z: 41 33.505 2.031 0.916 0.495 0.900 0.450 CB 1.520 41 residues pruned to eliminate duplicates Z: 40 40.665 2.080 1.079 0.532 0.923 0.538 CB 1.580 40 residues pruned to eliminate duplicates Z: 41 38.358 2.107 0.910 0.535 0.925 0.525 CB 1.575 40 residues pruned to eliminate duplicates Z: 16 30.478 2.048 1.030 0.735 1.000 0.733 CA 1.533 16 residues pruned to eliminate duplicates Z: 39 39.715 2.096 1.048 0.535 0.947 0.395 CB 1.531 39 residues pruned to eliminate duplicates Z: 31 37.392 2.055 1.073 0.557 0.967 0.600 CB 1.568 31 residues pruned to eliminate duplicates Z: 40 38.522 2.091 0.939 0.501 0.974 0.462 CB 1.560 40 residues pruned to eliminate duplicates Z: 40 40.442 2.073 1.032 0.516 0.949 0.513 CB 1.595 40 residues pruned to eliminate duplicates Z: 40 36.045 2.091 0.892 0.529 0.897 0.641 CB 1.580 40 residues pruned to eliminate duplicates Z: 14 15.608 1.882 0.563 0.699 0.923 0.615 CA 1.330 14 residues pruned to eliminate duplicates Z: 41 21.860 1.879 0.542 0.564 0.925 0.600 CB 1.212 50 residues pruned to eliminate duplicates Z: 6 4.248 1.500 0.321 0.503 1.000 0.800 CA 0.956 Z: 12 8.679 1.773 0.121 0.736 0.818 0.727 CB 1.301 12 residues pruned to eliminate duplicates Z: 16 13.279 1.771 0.452 0.671 0.867 0.667 CB 1.314 22 residues pruned to eliminate duplicates Z: 23 10.627 1.742 0.303 0.500 0.909 0.545 CB 1.098 23 residues pruned to eliminate duplicates Z: 23 13.433 1.749 0.571 0.529 0.864 0.545 CA 1.173 23 residues pruned to eliminate duplicates Z: 46 28.563 1.909 0.484 0.681 0.956 0.733 CA 1.332 46 residues pruned to eliminate duplicates Z: 15 14.193 1.843 0.363 0.697 1.000 0.786 CB 1.262 15 residues pruned to eliminate duplicates Z: 46 28.415 1.937 0.529 0.656 0.956 0.667 CB 1.295 46 residues pruned to eliminate duplicates Z: 15 14.483 1.857 0.433 0.661 1.000 0.786 CB 1.253 15 residues pruned to eliminate duplicates Z: 46 30.199 1.955 0.491 0.711 0.933 0.800 CA 1.367 46 residues pruned to eliminate duplicates Z: 18 12.581 1.779 0.469 0.632 0.941 0.765 CB 1.096 18 residues pruned to eliminate duplicates Z: 47 30.813 1.970 0.542 0.667 0.957 0.696 CB 1.340 47 residues pruned to eliminate duplicates Z: 56 24.345 1.907 0.477 0.531 0.909 0.600 CB 1.243 56 residues pruned to eliminate duplicates Z: 37 25.647 1.939 0.624 0.615 0.972 0.583 CB 1.252 37 residues pruned to eliminate duplicates Z: 58 25.400 1.927 0.489 0.605 0.860 0.667 CB 1.234 58 residues pruned to eliminate duplicates Z: 14 6.199 1.792 0.383 0.337 0.846 0.615 CB 0.980 14 residues pruned to eliminate duplicates Z: 46 28.909 1.952 0.507 0.685 0.911 0.644 CB 1.357 46 residues pruned to eliminate duplicates Z: 38 20.700 1.935 0.493 0.537 0.838 0.676 CA 1.356 38 residues pruned to eliminate duplicates Z: 22 26.433 2.051 0.692 0.695 0.952 0.714 CB 1.460 22 residues pruned to eliminate duplicates Z: 29 28.733 2.033 0.636 0.703 0.964 0.786 CB 1.407 29 residues pruned to eliminate duplicates Z: 30 26.834 2.019 0.673 0.656 0.897 0.690 CA 1.424 30 residues pruned to eliminate duplicates Z: 28 30.771 2.081 0.708 0.715 0.963 0.815 CB 1.424 28 residues pruned to eliminate duplicates Z: 31 28.389 2.020 0.691 0.648 0.900 0.667 CB 1.468 31 residues pruned to eliminate duplicates Z: 40 26.199 1.989 0.625 0.630 0.923 0.692 CB 1.245 40 residues pruned to eliminate duplicates Z: 30 31.706 2.030 0.738 0.707 0.966 0.690 CB 1.432 30 residues pruned to eliminate duplicates Z: 41 28.336 1.981 0.685 0.622 0.950 0.675 CB 1.258 41 residues pruned to eliminate duplicates Z: 31 26.577 1.995 0.649 0.652 0.900 0.600 CB 1.422 31 residues pruned to eliminate duplicates Z: 36 31.943 2.008 0.728 0.687 0.971 0.743 CB 1.349 36 residues pruned to eliminate duplicates Z: 35 28.715 1.982 0.653 0.619 0.941 0.618 CB 1.427 35 residues pruned to eliminate duplicates Z: 37 25.100 1.902 0.610 0.645 0.917 0.694 CB 1.301 37 residues pruned to eliminate duplicates Z: 32 30.322 1.995 0.763 0.648 0.935 0.677 CB 1.442 32 residues pruned to eliminate duplicates Z: 26 32.622 2.061 0.826 0.787 0.920 0.840 CB 1.464 26 residues pruned to eliminate duplicates Z: 34 29.081 1.959 0.726 0.605 0.939 0.606 CB 1.442 34 residues pruned to eliminate duplicates Z: 34 30.506 1.953 0.891 0.593 0.939 0.576 CB 1.401 34 residues pruned to eliminate duplicates Z: 29 32.280 2.053 0.763 0.697 0.964 0.714 CB 1.460 29 residues pruned to eliminate duplicates Z: 43 32.452 2.010 0.767 0.647 0.952 0.548 CB 1.290 43 residues pruned to eliminate duplicates Z: 40 28.518 2.024 0.710 0.630 0.872 0.564 CB 1.339 40 residues pruned to eliminate duplicates Z: 30 31.691 2.037 0.792 0.699 0.966 0.724 CB 1.394 30 residues pruned to eliminate duplicates Z: 28 30.503 1.984 0.818 0.713 1.000 0.630 CB 1.342 28 residues pruned to eliminate duplicates Z: 29 32.054 2.062 0.774 0.693 0.964 0.679 CB 1.440 29 residues pruned to eliminate duplicates Z: 32 42.829 2.107 0.889 0.744 1.000 0.742 CB 1.553 32 residues pruned to eliminate duplicates Z: 38 34.302 2.018 0.816 0.622 0.973 0.649 CB 1.410 38 residues pruned to eliminate duplicates Z: 78 38.345 2.020 0.613 0.578 0.883 0.584 CB 1.408 78 residues pruned to eliminate duplicates Z: 40 32.557 2.033 0.813 0.626 0.974 0.667 CB 1.289 40 residues pruned to eliminate duplicates Z: 33 34.596 2.071 0.814 0.689 0.938 0.656 CA 1.461 33 residues pruned to eliminate duplicates Z: 36 36.718 2.069 0.866 0.640 1.000 0.686 CB 1.410 36 residues pruned to eliminate duplicates Z: 37 32.333 2.013 0.807 0.683 0.944 0.611 CB 1.325 37 residues pruned to eliminate duplicates Z: 82 44.000 2.020 0.758 0.609 0.926 0.593 CB 1.341 82 residues pruned to eliminate duplicates Z: 35 28.466 2.013 0.863 0.684 0.941 0.647 CB 1.168 35 residues pruned to eliminate duplicates Z: 53 31.132 1.960 0.677 0.628 0.942 0.577 CB 1.236 53 residues pruned to eliminate duplicates Z: 51 31.140 1.967 0.703 0.653 0.920 0.600 CB 1.240 51 residues pruned to eliminate duplicates Z: 52 31.979 1.928 0.687 0.630 0.980 0.529 CB 1.242 52 residues pruned to eliminate duplicates Z: 46 28.151 2.006 0.662 0.516 0.933 0.578 CA 1.327 46 residues pruned to eliminate duplicates Z: 43 32.620 2.023 0.761 0.631 1.000 0.571 CB 1.249 43 residues pruned to eliminate duplicates Z: 53 33.485 2.020 0.755 0.539 0.923 0.577 CB 1.365 53 residues pruned to eliminate duplicates Z: 44 27.834 2.041 0.807 0.503 0.837 0.628 CA 1.371 44 residues pruned to eliminate duplicates Z: 44 32.470 2.054 0.860 0.573 0.907 0.628 CA 1.331 44 residues pruned to eliminate duplicates Z: 60 37.753 2.057 0.863 0.502 0.881 0.627 CA 1.452 62 residues pruned to eliminate duplicates Z: 6 3.788 1.788 0.800 0.237 0.800 0.200 CA 0.892 6 residues pruned to eliminate duplicates Z: 51 29.604 1.988 0.687 0.571 0.960 0.600 CB 1.214 51 residues pruned to eliminate duplicates Z: 47 27.634 1.978 0.683 0.558 0.935 0.609 CA 1.237 47 residues pruned to eliminate duplicates Z: 61 38.599 2.064 0.786 0.495 0.933 0.600 CA 1.456 61 residues pruned to eliminate duplicates Z: 46 32.512 2.013 0.798 0.568 0.933 0.733 CA 1.343 46 residues pruned to eliminate duplicates Z: 45 31.918 2.026 0.711 0.587 0.955 0.614 CA 1.338 45 residues pruned to eliminate duplicates Z: 43 30.361 2.040 0.691 0.606 0.905 0.667 CA 1.357 43 residues pruned to eliminate duplicates Z: 42 28.254 2.054 0.714 0.551 0.878 0.561 CA 1.358 42 residues pruned to eliminate duplicates Z: 43 28.222 2.023 0.635 0.577 0.905 0.738 CA 1.352 43 residues pruned to eliminate duplicates Z: 43 31.384 2.059 0.785 0.515 0.929 0.690 CA 1.399 43 residues pruned to eliminate duplicates Z: 37 34.854 2.102 0.848 0.616 0.917 0.667 CA 1.461 37 residues pruned to eliminate duplicates Z: 34 23.987 2.033 0.823 0.509 0.788 0.485 CA 1.418 34 residues pruned to eliminate duplicates Z: 39 30.561 2.094 0.737 0.545 0.895 0.658 CA 1.458 39 residues pruned to eliminate duplicates Z: 41 29.700 2.022 0.731 0.575 0.875 0.700 CA 1.427 41 residues pruned to eliminate duplicates Z: 39 32.334 2.071 0.763 0.580 0.895 0.684 CA 1.487 39 residues pruned to eliminate duplicates Z: 38 27.883 2.065 0.627 0.594 0.892 0.703 CA 1.398 38 residues pruned to eliminate duplicates Z: 31 30.096 2.101 0.803 0.596 0.900 0.700 CA 1.470 31 residues pruned to eliminate duplicates Z: 46 29.177 2.018 0.783 0.509 0.889 0.533 CA 1.348 46 residues pruned to eliminate duplicates Z: 43 32.773 2.040 0.767 0.560 0.952 0.643 CA 1.389 43 residues pruned to eliminate duplicates Z: 33 30.737 2.099 0.811 0.539 0.938 0.625 CA 1.466 33 residues pruned to eliminate duplicates Z: 37 31.168 2.085 0.757 0.498 0.917 0.583 CA 1.550 37 residues pruned to eliminate duplicates Z: 46 26.998 2.016 0.688 0.480 0.933 0.600 CB 1.293 46 residues pruned to eliminate duplicates Z: 82 42.237 2.014 0.715 0.573 0.963 0.617 CB 1.316 82 residues pruned to eliminate duplicates Z: 38 33.472 2.082 0.760 0.587 0.946 0.676 CA 1.460 38 residues pruned to eliminate duplicates Z: 37 28.463 2.002 0.757 0.483 0.944 0.639 CB 1.453 37 residues pruned to eliminate duplicates Z: 45 30.281 2.029 0.786 0.489 0.932 0.591 CA 1.366 45 residues pruned to eliminate duplicates Z: 44 33.738 2.068 0.849 0.548 0.907 0.581 CA 1.415 44 residues pruned to eliminate duplicates Z: 39 32.491 2.083 0.823 0.545 0.921 0.605 CA 1.441 39 residues pruned to eliminate duplicates Z: 85 47.900 2.083 0.851 0.529 0.905 0.595 CA 1.456 85 residues pruned to eliminate duplicates Z: 54 32.443 2.047 0.757 0.510 0.925 0.566 CB 1.328 54 residues pruned to eliminate duplicates Z: 43 32.451 2.024 0.720 0.575 0.952 0.595 CA 1.404 43 residues pruned to eliminate duplicates Z: 42 32.961 2.040 0.826 0.561 0.927 0.585 CA 1.406 42 residues pruned to eliminate duplicates Z: 61 38.471 2.067 0.850 0.463 0.900 0.600 CA 1.499 61 residues pruned to eliminate duplicates Z: 127 52.052 2.026 0.746 0.539 0.929 0.571 CB 1.358 127 residues pruned to eliminate duplicates Z: 45 32.605 2.039 0.887 0.521 0.909 0.659 CB 1.377 45 residues pruned to eliminate duplicates Z: 123 59.940 2.070 0.829 0.571 0.951 0.607 CB 1.407 123 residues pruned to eliminate duplicates Z: 80 48.917 2.094 0.843 0.529 0.924 0.646 CA 1.500 80 residues pruned to eliminate duplicates Z: 61 36.026 2.074 0.763 0.471 0.917 0.583 CB 1.428 61 residues pruned to eliminate duplicates Z: 81 46.728 2.081 0.859 0.515 0.900 0.600 CA 1.478 81 residues pruned to eliminate duplicates Z: 20 17.268 2.068 0.773 0.364 0.895 0.421 CB 1.398 20 residues pruned to eliminate duplicates Z: 41 36.274 2.110 0.866 0.512 0.950 0.600 CB 1.515 41 residues pruned to eliminate duplicates Z: 42 34.550 2.077 0.881 0.483 0.951 0.439 CB 1.478 42 residues pruned to eliminate duplicates Z: 41 32.126 2.105 0.758 0.504 0.900 0.450 CB 1.520 41 residues pruned to eliminate duplicates Z: 41 34.533 2.124 0.859 0.524 0.925 0.600 CB 1.460 41 residues pruned to eliminate duplicates Z: 41 32.090 2.104 0.850 0.516 0.875 0.575 CB 1.467 41 residues pruned to eliminate duplicates Z: 41 29.034 2.007 0.778 0.483 0.875 0.450 CB 1.495 41 residues pruned to eliminate duplicates Z: 41 32.518 2.085 0.810 0.499 0.900 0.575 CA 1.516 41 residues pruned to eliminate duplicates Z: 21 16.421 1.966 0.636 0.395 0.900 0.350 CB 1.417 21 residues pruned to eliminate duplicates Z: 41 26.795 2.073 0.551 0.455 0.950 0.575 CB 1.452 41 residues pruned to eliminate duplicates Z: 20 17.414 2.008 0.724 0.315 0.895 0.526 CB 1.582 20 residues pruned to eliminate duplicates Z: 20 16.677 2.067 0.718 0.345 0.947 0.474 CB 1.345 20 residues pruned to eliminate duplicates Z: 42 32.183 2.059 0.854 0.480 0.927 0.488 CB 1.450 42 residues pruned to eliminate duplicates Z: 43 33.737 2.090 0.876 0.497 0.905 0.595 CB 1.473 43 residues pruned to eliminate duplicates Z: 41 31.244 2.080 0.695 0.525 0.900 0.600 CA 1.519 41 residues pruned to eliminate duplicates Z: 41 33.845 2.093 0.883 0.528 0.875 0.600 CB 1.510 41 residues pruned to eliminate duplicates Z: 42 33.003 2.074 0.881 0.527 0.902 0.585 CB 1.426 42 residues pruned to eliminate duplicates Z: 39 37.408 2.107 0.993 0.577 0.921 0.684 CB 1.457 39 residues pruned to eliminate duplicates Z: 42 33.498 2.071 0.980 0.518 0.878 0.561 CB 1.427 42 residues pruned to eliminate duplicates Z: 41 37.156 2.105 0.886 0.517 0.925 0.550 CB 1.573 41 residues pruned to eliminate duplicates Z: 45 33.899 2.035 0.945 0.482 0.886 0.545 CB 1.483 45 residues pruned to eliminate duplicates Z: 40 35.626 2.058 0.864 0.534 0.974 0.513 CB 1.476 40 residues pruned to eliminate duplicates Z: 41 33.418 2.118 0.822 0.495 0.900 0.500 CB 1.529 41 residues pruned to eliminate duplicates Z: 41 34.259 2.052 0.884 0.497 0.975 0.575 CB 1.442 41 residues pruned to eliminate duplicates Z: 41 33.736 2.100 0.775 0.476 0.950 0.550 CB 1.543 41 residues pruned to eliminate duplicates Z: 40 37.686 2.100 0.860 0.530 0.974 0.462 CB 1.539 40 residues pruned to eliminate duplicates Z: 13 22.246 2.029 0.866 0.826 0.917 0.583 CA 1.396 13 residues pruned to eliminate duplicates Z: 41 35.764 2.131 0.999 0.500 0.875 0.475 CB 1.517 41 residues pruned to eliminate duplicates Z: 42 32.350 2.081 0.888 0.496 0.902 0.537 CB 1.431 42 residues pruned to eliminate duplicates Z: 42 31.256 2.058 0.863 0.503 0.902 0.537 CB 1.408 42 residues pruned to eliminate duplicates Z: 86 45.701 2.066 0.826 0.506 0.906 0.541 CB 1.441 86 residues pruned to eliminate duplicates Z: 40 36.994 2.100 0.965 0.534 0.923 0.538 CB 1.504 40 residues pruned to eliminate duplicates Z: 7 3.616 1.315 1.132 0.135 0.833 0.333 CA 0.994 7 residues pruned to eliminate duplicates Z: 42 32.390 2.059 0.970 0.488 0.854 0.439 CB 1.478 42 residues pruned to eliminate duplicates Z: 43 29.498 1.989 0.893 0.456 0.857 0.595 CB 1.475 43 residues pruned to eliminate duplicates Z: 33 31.098 2.072 0.913 0.550 0.906 0.562 CB 1.457 33 residues pruned to eliminate duplicates Z: 29 26.402 1.975 1.018 0.534 0.821 0.357 CB 1.474 29 residues pruned to eliminate duplicates Z: 41 36.970 2.120 0.993 0.502 0.925 0.475 CB 1.492 41 residues pruned to eliminate duplicates Z: 42 34.910 2.094 1.056 0.507 0.854 0.537 CB 1.474 42 residues pruned to eliminate duplicates Z: 81 40.549 1.941 0.547 0.633 0.963 0.713 CB 1.384 80 residues pruned to eliminate duplicates Z: 26 25.471 1.906 0.465 0.798 1.000 0.840 CA 1.405 26 residues pruned to eliminate duplicates Z: 81 38.646 1.922 0.540 0.621 0.975 0.600 CB 1.335 81 residues pruned to eliminate duplicates Z: 83 36.915 1.919 0.572 0.601 0.927 0.707 CB 1.324 83 residues pruned to eliminate duplicates Z: 33 21.040 1.891 0.510 0.578 0.906 0.688 CB 1.333 33 residues pruned to eliminate duplicates Z: 48 25.484 1.846 0.540 0.609 0.936 0.596 CB 1.260 45 residues pruned to eliminate duplicates Z: 23 28.343 1.980 0.600 0.849 0.955 0.727 CA 1.482 29 residues pruned to eliminate duplicates Z: 24 23.633 1.888 0.439 0.853 1.000 0.783 CA 1.341 24 residues pruned to eliminate duplicates Z: 80 37.106 1.909 0.517 0.623 0.949 0.633 CA 1.352 80 residues pruned to eliminate duplicates Z: 28 22.323 1.929 0.535 0.729 0.926 0.704 CB 1.274 28 residues pruned to eliminate duplicates Z: 35 27.907 1.943 0.661 0.644 0.971 0.618 CA 1.335 33 residues pruned to eliminate duplicates Z: 23 26.711 1.917 0.616 0.845 0.955 0.773 CB 1.432 23 residues pruned to eliminate duplicates Z: 80 37.313 1.944 0.555 0.634 0.911 0.620 CB 1.345 80 residues pruned to eliminate duplicates Z: 29 24.556 1.906 0.702 0.710 0.929 0.679 CB 1.273 29 residues pruned to eliminate duplicates Z: 25 30.924 1.980 0.663 0.822 1.000 0.708 CB 1.450 25 residues pruned to eliminate duplicates Z: 23 28.153 1.958 0.622 0.860 0.955 0.591 CB 1.456 23 residues pruned to eliminate duplicates Z: 39 29.477 1.897 0.625 0.695 0.974 0.632 CB 1.333 39 residues pruned to eliminate duplicates Z: 22 28.735 2.002 0.644 0.882 0.952 0.714 CB 1.448 22 residues pruned to eliminate duplicates Z: 66 34.441 1.930 0.580 0.604 0.923 0.600 CA 1.375 66 residues pruned to eliminate duplicates Z: 37 24.506 1.898 0.582 0.690 0.944 0.528 CB 1.210 37 residues pruned to eliminate duplicates Z: 26 27.299 1.964 0.643 0.759 1.000 0.640 CB 1.345 26 residues pruned to eliminate duplicates Z: 36 30.226 1.935 0.715 0.676 1.000 0.629 CB 1.308 36 residues pruned to eliminate duplicates Z: 80 40.222 1.949 0.637 0.620 0.911 0.671 CB 1.390 80 residues pruned to eliminate duplicates Z: 63 33.985 1.951 0.546 0.608 0.952 0.645 CB 1.357 63 residues pruned to eliminate duplicates Z: 65 33.740 1.936 0.613 0.607 0.938 0.688 CB 1.302 65 residues pruned to eliminate duplicates Z: 82 39.214 1.936 0.639 0.604 0.963 0.642 CB 1.293 82 residues pruned to eliminate duplicates Z: 8 4.886 1.880 0.606 0.400 0.857 0.714 CB 0.793 8 residues pruned to eliminate duplicates Z: 34 26.556 1.941 0.648 0.667 0.939 0.697 CB 1.318 34 residues pruned to eliminate duplicates Z: 82 40.069 1.944 0.613 0.616 0.938 0.667 CB 1.356 82 residues pruned to eliminate duplicates Z: 44 26.858 1.911 0.501 0.635 0.953 0.558 CB 1.319 44 residues pruned to eliminate duplicates Z: 70 40.065 1.944 0.637 0.629 0.942 0.594 CB 1.426 70 residues pruned to eliminate duplicates Z: 80 39.847 1.932 0.566 0.625 0.949 0.684 CB 1.388 80 residues pruned to eliminate duplicates Z: 50 26.608 1.861 0.501 0.644 0.980 0.633 CB 1.214 50 residues pruned to eliminate duplicates Z: 34 33.380 1.952 0.850 0.695 1.000 0.576 CB 1.346 34 residues pruned to eliminate duplicates Z: 81 40.817 1.919 0.679 0.607 0.950 0.625 CB 1.346 81 residues pruned to eliminate duplicates Z: 82 40.004 1.922 0.562 0.632 0.963 0.667 CB 1.358 82 residues pruned to eliminate duplicates Z: 57 25.394 1.867 0.505 0.507 0.911 0.554 CB 1.317 108 residues pruned to eliminate duplicates Z: 82 38.726 1.930 0.527 0.612 0.975 0.568 CB 1.346 82 residues pruned to eliminate duplicates Z: 46 27.386 1.917 0.536 0.540 0.956 0.600 CA 1.395 46 residues pruned to eliminate duplicates Z: 50 28.236 1.893 0.606 0.556 0.939 0.633 CB 1.338 50 residues pruned to eliminate duplicates Z: 43 26.510 1.935 0.530 0.550 0.952 0.643 CB 1.382 43 residues pruned to eliminate duplicates Z: 45 27.522 1.929 0.557 0.556 0.932 0.568 CB 1.404 45 residues pruned to eliminate duplicates Z: 61 26.895 1.874 0.524 0.544 0.950 0.583 CB 1.226 61 residues pruned to eliminate duplicates Z: 41 26.813 1.931 0.530 0.604 0.950 0.675 CA 1.367 41 residues pruned to eliminate duplicates Z: 81 37.582 1.923 0.580 0.604 0.925 0.675 CB 1.354 81 residues pruned to eliminate duplicates Z: 49 27.140 1.905 0.564 0.579 0.917 0.750 CB 1.329 49 residues pruned to eliminate duplicates Z: 55 25.606 1.888 0.479 0.490 0.926 0.630 CB 1.362 55 residues pruned to eliminate duplicates Z: 40 25.567 1.935 0.518 0.586 0.923 0.564 CA 1.391 40 residues pruned to eliminate duplicates Z: 43 25.052 1.952 0.528 0.554 0.881 0.643 CB 1.396 43 residues pruned to eliminate duplicates Z: 38 28.110 1.979 0.618 0.591 0.946 0.703 CA 1.399 38 residues pruned to eliminate duplicates Z: 81 36.754 1.927 0.567 0.602 0.925 0.650 CB 1.334 81 residues pruned to eliminate duplicates Z: 47 25.018 1.914 0.526 0.543 0.891 0.630 CB 1.359 47 residues pruned to eliminate duplicates Z: 81 34.077 1.925 0.558 0.574 0.913 0.637 CB 1.296 81 residues pruned to eliminate duplicates Z: 40 28.935 1.963 0.625 0.609 0.923 0.615 CA 1.419 40 residues pruned to eliminate duplicates Z: 79 41.591 1.909 0.730 0.627 0.962 0.615 CB 1.316 79 residues pruned to eliminate duplicates Z: 43 26.059 1.939 0.516 0.558 0.929 0.690 CB 1.392 43 residues pruned to eliminate duplicates Z: 44 23.455 1.893 0.442 0.549 0.907 0.628 CA 1.377 44 residues pruned to eliminate duplicates Z: 80 38.985 1.941 0.569 0.598 0.962 0.582 CB 1.364 80 residues pruned to eliminate duplicates Z: 40 26.789 1.941 0.623 0.594 0.923 0.590 CA 1.348 40 residues pruned to eliminate duplicates Z: 44 26.807 1.936 0.581 0.546 0.953 0.581 CB 1.340 44 residues pruned to eliminate duplicates Z: 48 24.371 1.899 0.464 0.527 0.894 0.617 CA 1.393 48 residues pruned to eliminate duplicates Z: 45 29.027 1.926 0.678 0.569 0.909 0.636 CB 1.394 45 residues pruned to eliminate duplicates Z: 41 26.431 1.917 0.545 0.561 0.950 0.625 CB 1.400 41 residues pruned to eliminate duplicates Z: 83 37.524 1.903 0.596 0.580 0.951 0.659 CB 1.328 83 residues pruned to eliminate duplicates Z: 45 30.101 1.932 0.656 0.567 0.955 0.523 CB 1.393 45 residues pruned to eliminate duplicates Z: 41 26.680 1.920 0.673 0.570 0.900 0.550 CB 1.364 41 residues pruned to eliminate duplicates Z: 44 28.206 1.924 0.638 0.569 0.953 0.674 CB 1.339 44 residues pruned to eliminate duplicates Z: 43 26.151 1.922 0.611 0.567 0.929 0.643 CB 1.315 43 residues pruned to eliminate duplicates Z: 45 28.880 1.931 0.632 0.574 0.909 0.636 CB 1.415 45 residues pruned to eliminate duplicates Z: 81 37.749 1.920 0.627 0.604 0.925 0.688 CB 1.323 81 residues pruned to eliminate duplicates Z: 43 28.941 1.943 0.626 0.550 0.952 0.595 CB 1.413 43 residues pruned to eliminate duplicates Z: 51 27.820 1.903 0.620 0.513 0.920 0.620 CB 1.370 51 residues pruned to eliminate duplicates Z: 45 29.996 1.931 0.692 0.600 0.932 0.659 CB 1.351 45 residues pruned to eliminate duplicates Z: 44 29.069 1.938 0.627 0.565 0.930 0.628 CB 1.418 44 residues pruned to eliminate duplicates Z: 40 27.049 1.923 0.575 0.557 0.949 0.615 CA 1.426 40 residues pruned to eliminate duplicates Z: 51 22.896 1.842 0.508 0.521 0.880 0.620 CB 1.298 51 residues pruned to eliminate duplicates Z: 46 27.761 1.908 0.583 0.544 0.933 0.644 CA 1.406 46 residues pruned to eliminate duplicates Z: 57 27.389 1.869 0.595 0.511 0.929 0.589 CB 1.307 57 residues pruned to eliminate duplicates Z: 41 27.908 1.946 0.631 0.574 0.925 0.675 CA 1.400 41 residues pruned to eliminate duplicates Z: 45 26.832 1.919 0.587 0.541 0.932 0.591 CB 1.369 45 residues pruned to eliminate duplicates Z: 19 10.102 1.804 0.352 0.434 0.944 0.556 CB 1.107 19 residues pruned to eliminate duplicates Z: 37 28.498 1.900 0.840 0.579 0.917 0.667 CA 1.373 37 residues pruned to eliminate duplicates Z: 19 9.220 1.808 0.325 0.405 0.778 0.333 CA 1.289 19 residues pruned to eliminate duplicates Z: 42 24.572 1.842 0.745 0.540 0.927 0.512 CB 1.239 43 residues pruned to eliminate duplicates Z: 7 4.451 1.449 0.387 0.436 0.833 0.500 N 1.159 7 residues pruned to eliminate duplicates Z: 20 11.422 1.805 0.462 0.401 0.842 0.684 CB 1.308 20 residues pruned to eliminate duplicates Z: 17 7.767 1.691 0.584 0.265 0.812 0.438 CA 1.166 17 residues pruned to eliminate duplicates Z: 36 21.179 1.813 0.750 0.527 0.914 0.514 CB 1.201 36 residues pruned to eliminate duplicates Z: 38 20.888 1.809 0.637 0.527 0.919 0.568 CB 1.229 38 residues pruned to eliminate duplicates Z: 35 16.046 1.800 0.648 0.498 0.853 0.471 CB 1.090 35 residues pruned to eliminate duplicates Z: 30 13.214 1.782 0.515 0.471 0.897 0.586 CB 1.045 30 residues pruned to eliminate duplicates Z: 15 14.579 1.874 0.571 0.722 1.000 0.786 CB 1.083 15 residues pruned to eliminate duplicates Z: 26 17.753 1.850 0.736 0.579 0.880 0.480 CB 1.164 26 residues pruned to eliminate duplicates Z: 52 15.773 1.754 0.436 0.438 0.863 0.549 CB 1.084 52 residues pruned to eliminate duplicates Z: 50 16.581 1.745 0.563 0.490 0.837 0.388 CB 1.048 50 residues pruned to eliminate duplicates Z: 83 30.910 1.839 0.536 0.589 0.915 0.598 CB 1.213 83 residues pruned to eliminate duplicates Z: 36 14.965 1.780 0.624 0.457 0.886 0.486 CB 1.033 36 residues pruned to eliminate duplicates Z: 16 12.685 1.806 0.806 0.687 0.933 0.400 CB 0.906 16 residues pruned to eliminate duplicates Z: 37 16.668 1.796 0.654 0.460 0.889 0.472 CB 1.097 37 residues pruned to eliminate duplicates Z: 12 16.479 1.883 0.844 0.665 1.000 0.455 CB 1.228 12 residues pruned to eliminate duplicates Z: 34 16.613 1.825 0.540 0.418 0.939 0.455 CB 1.193 34 residues pruned to eliminate duplicates Z: 15 15.577 1.881 0.620 0.526 1.000 0.571 CB 1.332 15 residues pruned to eliminate duplicates Z: 22 14.118 1.791 0.582 0.423 0.952 0.381 CB 1.237 22 residues pruned to eliminate duplicates Z: 34 18.239 1.796 0.699 0.431 0.939 0.455 CB 1.190 34 residues pruned to eliminate duplicates Z: 40 18.275 1.790 0.534 0.451 0.923 0.513 CB 1.214 40 residues pruned to eliminate duplicates Z: 24 16.571 1.812 0.590 0.474 0.957 0.478 CB 1.287 24 residues pruned to eliminate duplicates Z: 25 12.513 1.809 0.428 0.413 0.917 0.500 CB 1.181 25 residues pruned to eliminate duplicates Z: 24 11.264 1.706 0.444 0.424 0.826 0.348 CB 1.249 24 residues pruned to eliminate duplicates Z: 23 9.292 1.674 0.328 0.426 0.773 0.273 CB 1.245 23 residues pruned to eliminate duplicates Z: 26 18.615 1.779 0.898 0.625 0.920 0.560 CB 1.066 26 residues pruned to eliminate duplicates Z: 12 13.683 1.790 0.559 0.478 1.000 0.727 CB 1.511 12 residues pruned to eliminate duplicates Z: 11 14.749 1.842 0.623 0.542 1.000 0.600 CA 1.497 11 residues pruned to eliminate duplicates Z: 24 12.228 1.704 0.548 0.464 0.783 0.217 CB 1.280 24 residues pruned to eliminate duplicates Z: 12 11.957 1.805 0.576 0.334 1.000 0.455 N 1.520 12 residues pruned to eliminate duplicates Z: 13 7.521 1.778 0.223 0.277 0.917 0.417 CB 1.403 13 residues pruned to eliminate duplicates Z: 51 26.208 1.872 0.387 0.663 0.960 0.640 CB 1.278 51 residues pruned to eliminate duplicates Z: 17 8.859 1.609 0.438 0.618 0.812 0.375 CB 1.054 17 residues pruned to eliminate duplicates Z: 83 26.632 1.804 0.422 0.522 0.927 0.610 CB 1.210 83 residues pruned to eliminate duplicates Z: 16 10.756 1.635 0.507 0.700 0.933 0.533 CB 1.006 16 residues pruned to eliminate duplicates Z: 16 11.140 1.679 0.574 0.642 0.867 0.467 CB 1.100 16 residues pruned to eliminate duplicates Z: 66 27.195 1.803 0.570 0.552 0.877 0.538 CB 1.292 66 residues pruned to eliminate duplicates Z: 14 10.631 1.692 0.542 0.748 0.846 0.538 CB 1.070 14 residues pruned to eliminate duplicates Z: 45 22.727 1.839 0.456 0.689 0.864 0.659 CB 1.246 45 residues pruned to eliminate duplicates Z: 48 22.772 1.792 0.609 0.618 0.830 0.553 CB 1.242 48 residues pruned to eliminate duplicates Z: 18 6.986 1.494 0.615 0.537 0.765 0.294 CB 0.885 18 residues pruned to eliminate duplicates Z: 31 14.935 1.746 0.577 0.534 0.900 0.533 CB 1.064 31 residues pruned to eliminate duplicates Z: 31 23.521 1.945 0.496 0.689 0.933 0.733 CB 1.330 31 residues pruned to eliminate duplicates Z: 44 21.814 1.906 0.523 0.597 0.884 0.651 CB 1.182 44 residues pruned to eliminate duplicates Z: 35 18.123 1.859 0.279 0.629 0.941 0.765 CB 1.230 35 residues pruned to eliminate duplicates Z: 43 23.277 1.885 0.437 0.648 0.929 0.690 CB 1.244 43 residues pruned to eliminate duplicates Z: 45 24.589 1.835 0.508 0.638 0.955 0.727 CB 1.233 45 residues pruned to eliminate duplicates Z: 31 24.884 1.918 0.596 0.690 0.967 0.733 CB 1.290 31 residues pruned to eliminate duplicates Z: 32 23.174 1.922 0.514 0.655 0.968 0.710 CB 1.280 32 residues pruned to eliminate duplicates Z: 38 22.294 1.858 0.589 0.643 0.865 0.622 CB 1.256 38 residues pruned to eliminate duplicates Z: 31 24.641 1.928 0.520 0.683 0.967 0.700 CB 1.343 31 residues pruned to eliminate duplicates Z: 27 26.632 1.972 0.686 0.767 0.923 0.769 CB 1.343 27 residues pruned to eliminate duplicates Z: 32 24.579 1.878 0.567 0.651 1.000 0.710 CB 1.303 32 residues pruned to eliminate duplicates Z: 36 26.357 1.947 0.582 0.662 1.000 0.743 CB 1.245 36 residues pruned to eliminate duplicates Z: 32 21.271 1.918 0.493 0.620 0.903 0.677 CA 1.319 32 residues pruned to eliminate duplicates Z: 43 24.803 1.886 0.555 0.642 0.952 0.667 CB 1.200 43 residues pruned to eliminate duplicates Z: 32 25.994 1.936 0.687 0.657 0.903 0.645 CB 1.368 32 residues pruned to eliminate duplicates Z: 32 24.802 1.886 0.636 0.689 0.903 0.710 CB 1.344 32 residues pruned to eliminate duplicates Z: 43 23.140 1.876 0.454 0.707 0.905 0.643 CB 1.199 43 residues pruned to eliminate duplicates Z: 26 31.266 1.994 0.734 0.817 0.960 0.880 CA 1.430 26 residues pruned to eliminate duplicates Z: 31 26.842 1.945 0.643 0.708 0.967 0.767 CB 1.313 31 residues pruned to eliminate duplicates Z: 40 21.193 1.862 0.527 0.551 0.923 0.641 CB 1.230 40 residues pruned to eliminate duplicates Z: 33 21.008 1.875 0.574 0.632 0.906 0.562 CB 1.227 33 residues pruned to eliminate duplicates Z: 43 25.223 1.919 0.576 0.614 0.929 0.571 CB 1.244 43 residues pruned to eliminate duplicates Z: 32 22.715 1.904 0.481 0.675 0.935 0.645 CB 1.316 32 residues pruned to eliminate duplicates Z: 35 23.764 1.876 0.618 0.617 1.000 0.618 CB 1.202 35 residues pruned to eliminate duplicates Z: 27 25.187 1.955 0.683 0.767 0.923 0.808 CB 1.284 27 residues pruned to eliminate duplicates Z: 85 35.699 1.906 0.502 0.604 0.964 0.690 CB 1.277 85 residues pruned to eliminate duplicates Z: 38 24.271 1.944 0.496 0.623 0.919 0.676 CA 1.330 38 residues pruned to eliminate duplicates Z: 37 28.352 1.952 0.597 0.671 1.000 0.722 CB 1.294 37 residues pruned to eliminate duplicates Z: 59 24.324 1.797 0.622 0.571 0.879 0.500 CB 1.164 59 residues pruned to eliminate duplicates Z: 53 25.253 1.837 0.550 0.623 0.962 0.558 CB 1.139 53 residues pruned to eliminate duplicates Z: 38 25.502 1.948 0.574 0.630 0.946 0.676 CB 1.279 38 residues pruned to eliminate duplicates Z: 13 8.110 1.700 0.590 0.341 0.833 0.583 N 1.237 13 residues pruned to eliminate duplicates Z: 11 12.790 1.777 0.720 0.681 1.000 0.900 CB 1.121 11 residues pruned to eliminate duplicates Z: 41 26.162 1.926 0.632 0.631 0.950 0.650 CB 1.225 41 residues pruned to eliminate duplicates Z: 36 25.213 1.950 0.622 0.669 0.943 0.657 CB 1.223 36 residues pruned to eliminate duplicates Z: 41 24.104 1.920 0.488 0.624 0.950 0.700 CB 1.249 41 residues pruned to eliminate duplicates Z: 42 21.737 1.898 0.341 0.639 0.951 0.707 CB 1.231 42 residues pruned to eliminate duplicates Z: 12 9.308 1.812 0.479 0.550 1.000 0.727 CB 0.997 12 residues pruned to eliminate duplicates Z: 46 24.323 1.858 0.486 0.575 0.978 0.689 CB 1.250 46 residues pruned to eliminate duplicates Z: 50 22.831 1.839 0.376 0.550 0.939 0.633 CA 1.308 50 residues pruned to eliminate duplicates Z: 42 22.301 1.891 0.467 0.522 0.902 0.610 CA 1.361 42 residues pruned to eliminate duplicates Z: 44 24.822 1.880 0.496 0.589 0.930 0.767 CB 1.328 44 residues pruned to eliminate duplicates Z: 44 24.827 1.870 0.482 0.594 0.953 0.721 CB 1.309 44 residues pruned to eliminate duplicates Z: 58 23.611 1.817 0.528 0.503 0.912 0.632 CB 1.231 58 residues pruned to eliminate duplicates Z: 43 24.542 1.903 0.474 0.557 0.952 0.667 CB 1.341 43 residues pruned to eliminate duplicates Z: 43 23.500 1.887 0.602 0.561 0.905 0.571 CB 1.249 43 residues pruned to eliminate duplicates Z: 20 9.708 1.747 0.374 0.425 0.842 0.579 CA 1.191 20 residues pruned to eliminate duplicates Z: 38 26.687 1.906 0.625 0.610 0.946 0.730 CB 1.350 38 residues pruned to eliminate duplicates Z: 52 23.192 1.784 0.489 0.561 0.922 0.647 CB 1.250 52 residues pruned to eliminate duplicates Z: 48 22.366 1.843 0.499 0.490 0.894 0.553 CB 1.335 48 residues pruned to eliminate duplicates Z: 43 23.286 1.882 0.447 0.579 0.929 0.619 CB 1.317 43 residues pruned to eliminate duplicates Z: 45 24.094 1.874 0.479 0.586 0.955 0.773 CB 1.264 45 residues pruned to eliminate duplicates Z: 37 29.929 1.944 0.628 0.655 0.972 0.833 CB 1.403 37 residues pruned to eliminate duplicates Z: 48 25.103 1.849 0.441 0.569 0.979 0.681 CB 1.313 48 residues pruned to eliminate duplicates Z: 38 25.870 1.949 0.453 0.626 0.973 0.649 CB 1.371 38 residues pruned to eliminate duplicates Z: 38 26.727 1.926 0.582 0.627 0.946 0.784 CB 1.353 38 residues pruned to eliminate duplicates Z: 42 26.541 1.911 0.556 0.595 0.951 0.732 CA 1.339 42 residues pruned to eliminate duplicates Z: 30 19.890 1.900 0.639 0.519 0.897 0.655 CA 1.299 30 residues pruned to eliminate duplicates Z: 37 29.249 1.955 0.708 0.622 0.972 0.722 CB 1.339 37 residues pruned to eliminate duplicates Z: 38 20.791 1.842 0.487 0.495 0.919 0.649 CB 1.365 38 residues pruned to eliminate duplicates Z: 56 27.393 1.852 0.579 0.540 0.964 0.655 CB 1.260 56 residues pruned to eliminate duplicates Z: 45 26.020 1.891 0.617 0.553 0.909 0.705 CB 1.341 45 residues pruned to eliminate duplicates Z: 31 26.393 1.916 0.657 0.627 0.967 0.700 CB 1.393 31 residues pruned to eliminate duplicates Z: 45 24.644 1.882 0.599 0.551 0.909 0.750 CB 1.292 45 residues pruned to eliminate duplicates Z: 47 26.334 1.856 0.544 0.591 0.957 0.674 CB 1.299 47 residues pruned to eliminate duplicates Z: 41 29.360 1.897 0.730 0.623 0.925 0.750 CB 1.362 41 residues pruned to eliminate duplicates Z: 42 27.196 1.871 0.661 0.621 0.951 0.683 CB 1.281 41 residues pruned to eliminate duplicates Z: 15 20.765 1.700 0.807 0.881 1.000 0.857 CA 1.309 15 residues pruned to eliminate duplicates Z: 70 33.236 1.845 0.708 0.554 0.957 0.609 CB 1.260 70 residues pruned to eliminate duplicates Z: 14 22.760 1.844 0.932 0.873 0.923 0.692 CB 1.398 14 residues pruned to eliminate duplicates Z: 41 25.751 1.884 0.732 0.587 0.925 0.725 CB 1.242 41 residues pruned to eliminate duplicates Z: 38 28.201 1.949 0.688 0.606 0.946 0.676 CB 1.346 38 residues pruned to eliminate duplicates Z: 38 29.222 1.925 0.796 0.613 0.946 0.622 CB 1.319 38 residues pruned to eliminate duplicates Z: 42 28.251 1.888 0.779 0.584 0.927 0.659 CB 1.308 42 residues pruned to eliminate duplicates Z: 34 24.658 1.861 0.737 0.588 0.939 0.606 CB 1.299 34 residues pruned to eliminate duplicates Z: 63 31.398 1.889 0.764 0.549 0.919 0.419 CB 1.241 63 residues pruned to eliminate duplicates Z: 33 22.903 1.899 0.605 0.547 0.969 0.656 CB 1.310 33 residues pruned to eliminate duplicates Z: 38 27.270 1.926 0.717 0.606 0.946 0.622 CB 1.296 38 residues pruned to eliminate duplicates Z: 30 19.500 1.855 0.641 0.549 0.862 0.586 CA 1.316 30 residues pruned to eliminate duplicates Z: 50 25.019 1.834 0.539 0.552 0.918 0.673 CB 1.311 50 residues pruned to eliminate duplicates Z: 47 27.006 1.851 0.595 0.570 0.978 0.609 CB 1.289 47 residues pruned to eliminate duplicates Z: 42 24.611 1.843 0.643 0.585 0.951 0.512 CB 1.230 42 residues pruned to eliminate duplicates Z: 39 22.629 1.840 0.606 0.513 0.974 0.605 CB 1.259 39 residues pruned to eliminate duplicates Z: 11 6.527 1.548 0.339 0.501 0.800 0.500 CB 1.244 11 residues pruned to eliminate duplicates Z: 42 35.478 2.081 0.875 0.553 0.927 0.537 CB 1.455 42 residues pruned to eliminate duplicates Z: 42 41.783 2.135 0.806 0.590 0.951 0.585 CB 1.631 42 residues pruned to eliminate duplicates Z: 44 35.352 2.058 0.671 0.566 0.953 0.558 CB 1.543 44 residues pruned to eliminate duplicates Z: 85 43.119 2.010 0.805 0.494 0.917 0.607 CB 1.423 85 residues pruned to eliminate duplicates Z: 6 8.495 1.915 0.351 0.812 0.800 0.400 CA 1.399 6 residues pruned to eliminate duplicates Z: 41 41.731 2.101 0.907 0.561 0.950 0.575 CB 1.633 41 residues pruned to eliminate duplicates Z: 43 34.807 2.099 0.797 0.522 0.929 0.476 CB 1.501 43 residues pruned to eliminate duplicates Z: 42 41.472 2.117 0.893 0.566 0.951 0.683 CB 1.593 42 residues pruned to eliminate duplicates Z: 42 40.542 2.131 0.874 0.564 0.927 0.659 CB 1.608 42 residues pruned to eliminate duplicates Z: 43 35.046 2.112 0.867 0.534 0.881 0.571 CB 1.504 43 residues pruned to eliminate duplicates Z: 42 38.005 2.073 0.860 0.529 0.927 0.585 CB 1.614 42 residues pruned to eliminate duplicates Z: 41 39.724 2.130 0.825 0.540 0.950 0.550 CB 1.636 41 residues pruned to eliminate duplicates Z: 43 37.541 2.130 0.806 0.533 0.929 0.524 CB 1.571 43 residues pruned to eliminate duplicates Z: 42 36.893 2.116 0.816 0.550 0.902 0.610 CB 1.582 42 residues pruned to eliminate duplicates Z: 42 39.195 2.118 0.939 0.536 0.927 0.537 CB 1.553 42 residues pruned to eliminate duplicates Z: 41 41.277 2.128 0.961 0.527 0.925 0.575 CB 1.647 41 residues pruned to eliminate duplicates Z: 15 30.397 2.103 1.074 0.757 1.000 0.786 CB 1.482 15 residues pruned to eliminate duplicates Z: 33 42.590 2.127 1.087 0.576 0.969 0.531 CA 1.627 33 residues pruned to eliminate duplicates Z: 41 39.833 2.108 0.900 0.525 0.950 0.450 CB 1.615 41 residues pruned to eliminate duplicates Z: 42 39.466 2.114 0.955 0.552 0.927 0.561 CB 1.530 42 residues pruned to eliminate duplicates Z: 42 40.469 2.125 0.936 0.541 0.951 0.537 CB 1.551 42 residues pruned to eliminate duplicates Z: 43 34.209 2.092 0.947 0.547 0.881 0.524 CB 1.405 43 residues pruned to eliminate duplicates Z: 14 24.698 2.019 1.003 0.766 1.000 0.615 CA 1.337 14 residues pruned to eliminate duplicates Z: 41 39.608 2.135 0.899 0.511 0.925 0.625 CB 1.653 41 residues pruned to eliminate duplicates Z: 42 43.983 2.144 0.876 0.555 1.000 0.537 CB 1.619 42 residues pruned to eliminate duplicates Z: 13 28.189 2.132 1.092 0.878 1.000 0.917 CA 1.324 13 residues pruned to eliminate duplicates Z: 43 41.822 2.084 0.938 0.532 0.976 0.548 CB 1.587 43 residues pruned to eliminate duplicates Z: 40 45.142 2.145 0.934 0.552 1.000 0.564 CB 1.657 41 residues pruned to eliminate duplicates Z: 16 26.968 2.133 0.888 0.693 0.933 0.667 CA 1.553 16 residues pruned to eliminate duplicates Z: 26 32.871 2.125 0.917 0.619 0.920 0.560 CB 1.568 26 residues pruned to eliminate duplicates Z: 42 44.137 2.136 0.953 0.564 0.976 0.634 CB 1.592 42 residues pruned to eliminate duplicates Z: 25 34.306 2.119 1.039 0.638 0.917 0.667 CB 1.553 24 residues pruned to eliminate duplicates Z: 6 3.704 1.562 0.317 0.407 0.800 0.600 O 1.109 6 residues pruned to eliminate duplicates Z: 18 13.863 1.851 0.662 0.392 0.882 0.412 CA 1.389 18 residues pruned to eliminate duplicates Z: 43 39.641 2.138 0.950 0.538 0.929 0.452 CB 1.523 43 residues pruned to eliminate duplicates Z: 14 19.257 2.012 0.925 0.520 0.846 0.538 CA 1.598 15 residues pruned to eliminate duplicates Z: 12 10.915 1.753 0.440 0.769 1.000 0.727 CB 1.027 12 residues pruned to eliminate duplicates Z: 46 28.697 1.915 0.632 0.651 0.933 0.711 CB 1.275 53 residues pruned to eliminate duplicates Z: 11 15.047 1.607 1.065 0.815 1.000 0.600 CB 1.090 11 residues pruned to eliminate duplicates Z: 21 7.896 1.640 0.399 0.530 0.800 0.300 CB 0.934 21 residues pruned to eliminate duplicates Z: 18 9.999 1.745 0.687 0.516 0.706 0.294 CB 1.149 16 residues pruned to eliminate duplicates Z: 11 10.058 1.669 1.089 0.872 1.000 0.400 CB 0.665 11 residues pruned to eliminate duplicates Z: 13 8.886 1.769 0.630 0.633 0.833 0.333 CB 0.942 13 residues pruned to eliminate duplicates Z: 17 9.445 1.756 0.565 0.506 0.875 0.312 CB 0.976 16 residues pruned to eliminate duplicates 6 0.541 1.558 0.429 0.520 0.200 0.200 CB 0.532 ? Z: 6 3.505 1.675 0.333 0.244 0.800 0.200 N 1.180 6 residues pruned to eliminate duplicates Z: 31 26.768 2.044 0.534 0.686 0.933 0.767 CB 1.408 31 residues pruned to eliminate duplicates Z: 34 15.325 1.808 0.298 0.500 0.939 0.667 CB 1.211 34 residues pruned to eliminate duplicates Z: 46 29.060 1.934 0.584 0.675 0.978 0.778 CB 1.231 46 residues pruned to eliminate duplicates Z: 32 29.104 2.036 0.643 0.676 0.968 0.710 CB 1.373 32 residues pruned to eliminate duplicates Z: 29 22.199 1.970 0.388 0.714 0.893 0.750 CA 1.416 29 residues pruned to eliminate duplicates Z: 26 25.171 2.030 0.382 0.782 1.000 0.800 CA 1.399 26 residues pruned to eliminate duplicates Z: 27 31.693 2.087 0.621 0.787 0.962 0.846 CA 1.485 27 residues pruned to eliminate duplicates Z: 32 24.580 2.017 0.445 0.674 0.935 0.806 CB 1.380 32 residues pruned to eliminate duplicates Z: 29 27.649 2.017 0.636 0.719 0.929 0.857 CB 1.399 29 residues pruned to eliminate duplicates Z: 33 26.496 1.988 0.504 0.658 0.938 0.688 CB 1.443 33 residues pruned to eliminate duplicates Z: 32 28.117 2.021 0.662 0.659 0.935 0.710 CB 1.387 32 residues pruned to eliminate duplicates Z: 30 28.384 2.058 0.595 0.704 0.931 0.759 CB 1.432 30 residues pruned to eliminate duplicates Z: 31 28.966 2.030 0.718 0.684 0.900 0.600 CB 1.423 31 residues pruned to eliminate duplicates Z: 26 35.682 2.113 0.844 0.788 0.960 0.680 CA 1.482 26 residues pruned to eliminate duplicates Z: 33 29.420 2.027 0.726 0.648 0.938 0.719 CB 1.381 33 residues pruned to eliminate duplicates Z: 26 38.726 2.113 0.998 0.797 0.960 0.800 CB 1.473 26 residues pruned to eliminate duplicates Z: 34 29.990 2.013 0.863 0.664 0.939 0.576 CB 1.273 34 residues pruned to eliminate duplicates Z: 26 38.377 2.112 0.928 0.808 0.960 0.600 CB 1.501 26 residues pruned to eliminate duplicates Z: 48 30.685 1.910 0.725 0.671 0.957 0.638 CB 1.213 48 residues pruned to eliminate duplicates Z: 45 31.912 1.929 0.757 0.649 0.932 0.545 CB 1.326 51 residues pruned to eliminate duplicates Z: 24 36.654 2.062 0.954 0.868 1.000 0.696 CA 1.387 24 residues pruned to eliminate duplicates Z: 39 29.421 2.005 0.810 0.681 0.921 0.632 CB 1.209 39 residues pruned to eliminate duplicates Z: 30 32.061 2.083 0.794 0.723 0.931 0.828 CB 1.400 30 residues pruned to eliminate duplicates Z: 30 32.944 2.070 0.811 0.702 0.966 0.793 CB 1.406 30 residues pruned to eliminate duplicates Z: 27 33.632 2.065 0.908 0.764 0.962 0.692 CB 1.378 27 residues pruned to eliminate duplicates Z: 87 41.826 1.991 0.702 0.622 0.930 0.674 CB 1.275 87 residues pruned to eliminate duplicates Z: 85 42.715 1.989 0.688 0.604 0.964 0.643 CB 1.304 85 residues pruned to eliminate duplicates Z: 21 10.680 1.865 0.752 0.447 0.750 0.450 CB 1.029 21 residues pruned to eliminate duplicates Z: 32 39.570 2.083 0.960 0.760 1.000 0.774 CB 1.382 32 residues pruned to eliminate duplicates Z: 13 12.338 1.984 0.774 0.546 0.917 0.500 CB 1.055 13 residues pruned to eliminate duplicates Z: 53 34.165 1.977 0.818 0.650 0.981 0.558 CB 1.169 53 residues pruned to eliminate duplicates Z: 43 32.104 2.021 0.809 0.645 0.952 0.690 CB 1.243 43 residues pruned to eliminate duplicates Z: 38 38.080 2.063 0.906 0.736 0.973 0.486 CB 1.324 38 residues pruned to eliminate duplicates Z: 14 7.331 1.927 0.318 0.533 0.769 0.462 CB 1.007 14 residues pruned to eliminate duplicates Z: 65 35.273 2.013 0.614 0.571 0.906 0.609 CB 1.398 65 residues pruned to eliminate duplicates Z: 10 6.901 1.900 0.456 0.449 0.889 0.444 CB 0.986 10 residues pruned to eliminate duplicates Z: 46 30.657 1.997 0.861 0.558 0.933 0.622 CB 1.246 46 residues pruned to eliminate duplicates Z: 9 4.794 1.763 0.318 0.273 1.000 0.125 CA 0.944 9 residues pruned to eliminate duplicates Z: 43 26.583 2.003 0.592 0.499 0.881 0.667 CA 1.461 43 residues pruned to eliminate duplicates Z: 63 42.345 2.049 0.736 0.620 0.952 0.661 CB 1.419 63 residues pruned to eliminate duplicates Z: 48 27.758 1.981 0.519 0.556 0.915 0.660 CA 1.393 48 residues pruned to eliminate duplicates Z: 50 32.098 1.989 0.658 0.562 0.939 0.653 CA 1.395 50 residues pruned to eliminate duplicates Z: 43 28.883 1.997 0.609 0.543 0.929 0.643 CB 1.432 43 residues pruned to eliminate duplicates Z: 46 26.143 1.981 0.563 0.525 0.889 0.689 CB 1.382 46 residues pruned to eliminate duplicates Z: 41 25.810 1.976 0.625 0.524 0.900 0.575 CB 1.379 41 residues pruned to eliminate duplicates Z: 42 26.562 2.009 0.589 0.562 0.854 0.683 CB 1.433 42 residues pruned to eliminate duplicates Z: 42 30.550 1.971 0.641 0.601 0.951 0.732 CB 1.408 42 residues pruned to eliminate duplicates Z: 43 30.329 1.988 0.663 0.549 0.952 0.667 CA 1.418 43 residues pruned to eliminate duplicates Z: 42 30.448 2.016 0.641 0.570 0.927 0.659 CB 1.449 42 residues pruned to eliminate duplicates Z: 43 29.354 1.986 0.631 0.587 0.905 0.714 CA 1.423 43 residues pruned to eliminate duplicates Z: 42 30.342 1.981 0.664 0.624 0.927 0.634 CB 1.380 42 residues pruned to eliminate duplicates Z: 43 25.720 1.971 0.455 0.559 0.929 0.619 CA 1.407 43 residues pruned to eliminate duplicates Z: 56 31.156 1.993 0.583 0.536 0.945 0.618 CB 1.360 56 residues pruned to eliminate duplicates Z: 46 28.836 1.995 0.635 0.548 0.933 0.711 CB 1.347 46 residues pruned to eliminate duplicates Z: 48 30.283 2.000 0.625 0.554 0.936 0.638 CB 1.378 48 residues pruned to eliminate duplicates Z: 44 29.197 1.961 0.664 0.599 0.884 0.628 CB 1.405 44 residues pruned to eliminate duplicates Z: 42 28.234 1.964 0.573 0.581 0.951 0.634 CB 1.388 42 residues pruned to eliminate duplicates Z: 58 30.886 1.955 0.634 0.542 0.930 0.596 CB 1.322 58 residues pruned to eliminate duplicates Z: 48 29.950 1.953 0.569 0.572 0.957 0.617 CB 1.389 48 residues pruned to eliminate duplicates Z: 41 31.009 2.033 0.581 0.568 0.950 0.600 CA 1.504 41 residues pruned to eliminate duplicates Z: 42 27.861 1.967 0.623 0.553 0.951 0.634 CB 1.360 42 residues pruned to eliminate duplicates Z: 42 30.522 2.010 0.615 0.585 0.927 0.634 CB 1.461 42 residues pruned to eliminate duplicates Z: 42 31.349 2.006 0.692 0.572 0.927 0.659 CB 1.452 42 residues pruned to eliminate duplicates Z: 42 32.921 2.025 0.761 0.552 0.951 0.610 CB 1.441 42 residues pruned to eliminate duplicates Z: 45 32.686 1.981 0.743 0.555 0.955 0.705 CB 1.418 45 residues pruned to eliminate duplicates Z: 41 28.786 1.982 0.789 0.545 0.900 0.650 CB 1.365 41 residues pruned to eliminate duplicates Z: 43 27.808 2.003 0.562 0.541 0.929 0.643 CB 1.419 43 residues pruned to eliminate duplicates Z: 36 24.466 1.948 0.593 0.497 0.943 0.600 CB 1.418 36 residues pruned to eliminate duplicates Z: 42 34.333 2.020 0.766 0.578 0.951 0.659 CB 1.466 42 residues pruned to eliminate duplicates Z: 41 32.718 2.017 0.759 0.569 0.925 0.700 CA 1.475 41 residues pruned to eliminate duplicates Z: 24 15.978 1.799 0.616 0.639 0.913 0.565 CB 1.102 24 residues pruned to eliminate duplicates Z: 49 31.088 1.996 0.647 0.533 0.938 0.583 CA 1.410 49 residues pruned to eliminate duplicates Z: 54 32.284 1.956 0.709 0.507 0.943 0.642 CB 1.396 54 residues pruned to eliminate duplicates Z: 39 31.555 2.063 0.729 0.559 0.895 0.684 CA 1.514 39 residues pruned to eliminate duplicates Z: 44 31.642 1.981 0.690 0.540 0.953 0.651 CA 1.453 44 residues pruned to eliminate duplicates Z: 43 28.713 1.991 0.647 0.566 0.881 0.690 CA 1.438 43 residues pruned to eliminate duplicates Z: 48 30.956 1.970 0.684 0.579 0.915 0.681 CA 1.378 48 residues pruned to eliminate duplicates Z: 84 42.670 1.962 0.790 0.596 0.952 0.614 CB 1.278 84 residues pruned to eliminate duplicates Z: 43 30.843 1.993 0.684 0.576 0.929 0.714 CA 1.419 43 residues pruned to eliminate duplicates Z: 41 31.970 2.016 0.686 0.610 0.925 0.750 CB 1.448 41 residues pruned to eliminate duplicates Z: 50 30.043 1.970 0.636 0.551 0.939 0.653 CB 1.349 50 residues pruned to eliminate duplicates Z: 45 30.474 1.978 0.643 0.552 0.932 0.727 CA 1.441 45 residues pruned to eliminate duplicates Z: 44 32.355 1.945 0.711 0.607 0.977 0.674 CB 1.371 44 residues pruned to eliminate duplicates Z: 7 6.873 1.776 0.984 0.425 1.000 0.833 CB 0.861 9 residues pruned to eliminate duplicates 1196 residues left after pruning, divided into chains as follows: A: 6 B: 10 C: 10 D: 39 E: 37 F: 39 G: 12 H: 13 I: 126 J: 47 K: 6 L: 79 M: 160 N: 127 O: 99 P: 38 Q: 204 R: 137 S: 7 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 38.71 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.503, Connect. = 0.746 for dens.mod. cycle 1 = 0.300, Contrast = 0.591, Connect. = 0.771 for dens.mod. cycle 2 = 0.300, Contrast = 0.718, Connect. = 0.793 for dens.mod. cycle 3 = 0.300, Contrast = 0.740, Connect. = 0.795 for dens.mod. cycle 4 = 0.300, Contrast = 0.758, Connect. = 0.797 for dens.mod. cycle 5 = 0.300, Contrast = 0.765, Connect. = 0.799 for dens.mod. cycle 6 = 0.300, Contrast = 0.772, Connect. = 0.800 for dens.mod. cycle 7 = 0.300, Contrast = 0.775, Connect. = 0.801 for dens.mod. cycle 8 = 0.300, Contrast = 0.778, Connect. = 0.802 for dens.mod. cycle 9 = 0.300, Contrast = 0.779, Connect. = 0.802 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6094 peaks > 0.5 sigma used to seed fragment search Space for about 2008 unique residues taking solvent into account 1406 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 13 20.758 1.910 0.896 0.869 1.000 0.917 CA 1.209 B: 12 27.530 2.187 0.877 0.889 1.000 0.818 CA 1.455 C: 24 28.349 1.990 0.615 0.899 1.000 0.870 CA 1.315 D: 14 26.882 2.007 0.836 0.849 1.000 0.769 CA 1.500 E: 11 30.746 2.241 1.026 0.884 1.000 0.900 CA 1.548 11 residues pruned to eliminate duplicates F: 11 26.324 2.242 0.894 0.890 1.000 1.000 CA 1.411 11 residues pruned to eliminate duplicates G: 23 31.661 2.039 0.666 0.868 1.000 0.636 CA 1.453 H: 7 22.173 2.032 1.100 0.718 1.000 0.667 CA 1.741 I: 14 15.376 1.857 0.693 0.783 0.846 0.769 CA 1.249 14 residues pruned to eliminate duplicates J: 14 24.196 2.019 0.713 0.864 1.000 0.846 CA 1.422 14 residues pruned to eliminate duplicates K: 13 25.656 2.036 0.784 0.883 1.000 0.917 CB 1.474 11 residues pruned to eliminate duplicates L: 12 28.920 2.139 1.008 0.864 1.000 0.818 CA 1.488 M: 56 30.779 1.919 0.625 0.585 1.000 0.600 CB 1.227 N: 14 25.900 2.033 0.833 0.843 1.000 0.846 CA 1.435 14 residues pruned to eliminate duplicates O: 13 26.761 2.096 0.826 0.913 1.000 1.000 CA 1.428 12 residues pruned to eliminate duplicates P: 12 26.587 2.112 0.787 0.894 1.000 0.818 CA 1.524 12 residues pruned to eliminate duplicates Q: 13 26.895 2.072 0.789 0.847 1.000 0.667 CA 1.555 13 residues pruned to eliminate duplicates R: 7 15.193 1.756 0.936 0.854 1.000 0.667 CA 1.347 S: 14 22.372 1.982 0.804 0.764 0.923 0.538 CA 1.488 14 residues pruned to eliminate duplicates T: 13 22.670 1.947 0.975 0.878 1.000 0.750 CA 1.236 U: 13 18.070 1.778 0.475 0.835 1.000 0.750 CB 1.491 V: 11 28.022 2.206 0.715 0.900 1.000 0.800 CA 1.673 11 residues pruned to eliminate duplicates W: 11 22.164 1.953 1.027 0.914 1.000 0.500 CB 1.252 X: 12 22.598 2.141 0.666 0.873 1.000 0.909 CA 1.391 13 residues pruned to eliminate duplicates Y: 12 34.438 2.186 1.172 0.878 1.000 0.636 CA 1.587 12 residues pruned to eliminate duplicates Z: 21 29.443 2.095 0.602 0.871 1.000 0.800 CB 1.431 22 residues pruned to eliminate duplicates Z: 13 18.875 1.968 0.564 0.822 0.917 0.667 CB 1.461 Z: 6 6.565 1.725 0.276 0.813 1.000 1.000 CA 1.016 Z: 12 26.625 2.135 0.826 0.893 1.000 0.909 CA 1.477 12 residues pruned to eliminate duplicates Z: 12 23.772 2.162 0.803 0.839 0.909 0.818 CA 1.511 12 residues pruned to eliminate duplicates Z: 13 19.703 1.891 0.498 0.871 1.000 0.917 CA 1.465 13 residues pruned to eliminate duplicates Z: 12 13.680 1.825 0.440 0.846 0.727 0.636 CA 1.603 Z: 53 25.701 1.965 0.564 0.522 0.865 0.673 CB 1.311 23 residues pruned to eliminate duplicates Z: 8 10.150 1.854 0.633 0.598 0.857 0.571 O 1.346 8 residues pruned to eliminate duplicates Z: 23 28.817 1.934 0.790 0.878 0.955 0.682 CB 1.349 Z: 12 23.872 2.091 0.799 0.873 1.000 1.000 CA 1.394 12 residues pruned to eliminate duplicates Z: 11 16.892 1.986 0.621 0.907 1.000 0.900 CB 1.179 Z: 14 23.444 2.007 0.789 0.822 1.000 0.769 CA 1.370 14 residues pruned to eliminate duplicates Z: 13 16.951 1.770 0.776 0.716 0.833 0.417 CA 1.536 12 residues pruned to eliminate duplicates Z: 12 24.745 2.128 0.800 0.868 0.909 0.727 CA 1.566 12 residues pruned to eliminate duplicates Z: 13 19.083 1.955 0.853 0.828 0.917 0.667 CB 1.249 13 residues pruned to eliminate duplicates Z: 12 26.417 2.100 0.901 0.891 1.000 1.000 CA 1.435 13 residues pruned to eliminate duplicates Z: 13 18.336 1.893 0.815 0.763 0.917 0.583 CB 1.330 Z: 23 28.975 1.971 0.670 0.880 1.000 0.727 CB 1.360 23 residues pruned to eliminate duplicates Z: 13 30.284 2.091 1.002 0.879 1.000 0.833 CA 1.514 13 residues pruned to eliminate duplicates Z: 43 27.186 2.024 0.620 0.581 0.881 0.571 CB 1.344 43 residues pruned to eliminate duplicates Z: 12 17.351 1.891 0.735 0.909 1.000 0.909 CB 1.132 11 residues pruned to eliminate duplicates Z: 12 25.520 2.013 1.122 0.882 1.000 1.000 CA 1.303 Z: 82 47.031 2.051 0.974 0.495 0.901 0.519 CB 1.440 26 residues pruned to eliminate duplicates Z: 13 24.620 1.962 1.045 0.858 1.000 0.750 CA 1.304 12 residues pruned to eliminate duplicates Z: 24 33.932 2.047 0.863 0.866 1.000 0.739 CA 1.358 Z: 13 19.245 1.998 0.679 0.830 0.917 0.750 CB 1.359 13 residues pruned to eliminate duplicates Z: 42 27.630 1.989 0.727 0.593 0.902 0.683 CB 1.273 13 residues pruned to eliminate duplicates Z: 11 25.878 2.134 0.924 0.915 1.000 0.800 CA 1.409 11 residues pruned to eliminate duplicates Z: 12 22.509 2.134 0.638 0.879 1.000 1.000 CA 1.408 12 residues pruned to eliminate duplicates Z: 13 26.312 1.987 0.918 0.857 1.000 0.750 CA 1.468 13 residues pruned to eliminate duplicates Z: 12 21.111 1.973 0.633 0.896 1.000 0.909 CA 1.415 12 residues pruned to eliminate duplicates Z: 14 18.463 1.773 0.771 0.828 1.000 0.692 CB 1.228 11 residues pruned to eliminate duplicates Z: 11 17.274 1.981 0.717 0.888 1.000 0.800 CB 1.157 11 residues pruned to eliminate duplicates Z: 10 15.885 1.977 0.124 0.904 1.000 0.889 CA 1.698 10 residues pruned to eliminate duplicates Z: 23 35.041 2.085 0.843 0.873 0.955 0.727 CA 1.483 24 residues pruned to eliminate duplicates Z: 14 19.224 1.963 0.528 0.857 1.000 0.769 CA 1.310 14 residues pruned to eliminate duplicates Z: 23 34.658 2.092 0.697 0.894 1.000 0.909 CA 1.493 23 residues pruned to eliminate duplicates Z: 23 36.276 2.047 0.895 0.877 1.000 0.545 CB 1.448 23 residues pruned to eliminate duplicates Z: 59 28.708 1.983 0.643 0.444 0.914 0.552 CB 1.341 Z: 62 36.342 2.020 0.616 0.628 0.934 0.672 CB 1.353 47 residues pruned to eliminate duplicates Z: 13 13.660 1.843 0.682 0.765 0.917 0.750 CB 1.097 Z: 13 23.734 1.996 0.951 0.835 1.000 0.750 CA 1.318 13 residues pruned to eliminate duplicates Z: 35 32.830 2.056 0.616 0.679 1.000 0.706 CA 1.437 35 residues pruned to eliminate duplicates Z: 23 31.095 2.050 0.698 0.861 1.000 0.818 CB 1.399 23 residues pruned to eliminate duplicates Z: 39 17.241 1.870 0.547 0.418 0.895 0.447 CB 1.177 Z: 23 32.525 2.070 0.635 0.894 1.000 0.682 CA 1.471 23 residues pruned to eliminate duplicates Z: 22 26.969 1.995 0.695 0.870 0.905 0.857 CA 1.404 Z: 13 31.725 2.099 0.980 0.901 1.000 0.833 CA 1.573 14 residues pruned to eliminate duplicates Z: 13 24.267 2.036 0.841 0.871 1.000 1.000 CA 1.363 13 residues pruned to eliminate duplicates Z: 43 38.700 2.114 0.800 0.563 0.976 0.571 CB 1.512 30 residues pruned to eliminate duplicates Z: 41 25.157 1.958 0.747 0.486 0.900 0.500 CB 1.311 Z: 13 21.736 1.958 0.920 0.836 0.917 0.833 CA 1.363 13 residues pruned to eliminate duplicates Z: 23 32.509 2.048 0.720 0.881 0.955 0.682 CA 1.493 23 residues pruned to eliminate duplicates Z: 6 3.844 1.695 0.737 0.454 0.600 0.600 CA 1.019 Z: 12 22.262 1.984 0.868 0.876 1.000 0.727 CA 1.317 12 residues pruned to eliminate duplicates Z: 14 16.424 1.638 0.490 0.864 1.000 0.846 CA 1.369 15 residues pruned to eliminate duplicates Z: 20 30.890 2.067 0.824 0.907 0.947 0.842 CA 1.409 20 residues pruned to eliminate duplicates Z: 17 11.989 1.837 0.752 0.318 0.875 0.375 CB 1.301 Z: 22 24.812 1.944 0.639 0.849 0.952 0.571 CB 1.323 22 residues pruned to eliminate duplicates Z: 12 20.132 1.910 0.986 0.918 0.909 0.818 CB 1.241 13 residues pruned to eliminate duplicates Z: 41 20.680 1.853 0.713 0.554 0.900 0.650 CB 1.086 40 residues pruned to eliminate duplicates Z: 11 13.203 1.857 0.906 0.502 0.800 0.600 CB 1.472 11 residues pruned to eliminate duplicates Z: 23 33.544 2.038 0.791 0.874 1.000 0.909 CB 1.427 23 residues pruned to eliminate duplicates Z: 42 24.289 1.889 0.544 0.641 0.976 0.634 CB 1.168 22 residues pruned to eliminate duplicates Z: 12 22.245 2.032 1.079 0.853 1.000 0.636 CB 1.174 13 residues pruned to eliminate duplicates Z: 11 6.480 1.680 0.355 0.395 0.800 0.500 N 1.257 Z: 12 15.445 2.023 0.344 0.848 1.000 0.909 CB 1.271 12 residues pruned to eliminate duplicates Z: 21 22.263 2.000 0.548 0.891 0.950 0.850 CA 1.217 21 residues pruned to eliminate duplicates Z: 23 36.424 2.063 0.842 0.871 1.000 0.455 CB 1.491 23 residues pruned to eliminate duplicates Z: 12 24.327 1.868 1.194 0.910 1.000 0.545 CB 1.269 12 residues pruned to eliminate duplicates Z: 44 29.014 1.973 0.796 0.599 0.930 0.558 CB 1.221 33 residues pruned to eliminate duplicates Z: 11 27.382 2.023 1.280 0.885 0.900 0.700 CB 1.507 11 residues pruned to eliminate duplicates Z: 40 22.606 1.880 0.583 0.572 0.923 0.615 CB 1.229 40 residues pruned to eliminate duplicates Z: 51 32.167 2.008 0.589 0.642 0.860 0.660 CB 1.452 54 residues pruned to eliminate duplicates Z: 22 27.257 2.066 0.561 0.872 1.000 0.905 CA 1.344 22 residues pruned to eliminate duplicates Z: 23 38.636 2.080 1.088 0.874 1.000 0.455 CA 1.380 23 residues pruned to eliminate duplicates Z: 18 13.104 1.791 0.722 0.640 0.765 0.706 CA 1.181 16 residues pruned to eliminate duplicates Z: 78 36.337 1.911 0.622 0.575 0.935 0.545 CB 1.329 23 residues pruned to eliminate duplicates Z: 8 7.271 1.696 0.369 0.600 0.857 0.714 CB 1.255 Z: 22 26.005 1.989 0.629 0.868 0.857 0.619 CB 1.494 22 residues pruned to eliminate duplicates Z: 8 5.281 1.674 -0.062 0.797 1.000 0.714 CB 0.981 Z: 38 21.766 1.880 0.664 0.457 0.919 0.568 CB 1.300 Z: 10 12.217 1.710 0.458 0.907 1.000 0.778 CB 1.161 Z: 12 17.402 1.930 0.625 0.837 1.000 0.727 CB 1.251 12 residues pruned to eliminate duplicates Z: 14 30.635 2.094 0.872 0.868 1.000 0.846 CB 1.584 14 residues pruned to eliminate duplicates Z: 14 21.401 1.876 0.916 0.875 0.846 0.615 CB 1.419 14 residues pruned to eliminate duplicates Z: 23 15.822 2.031 0.733 0.322 0.818 0.500 CB 1.425 23 residues pruned to eliminate duplicates Z: 26 19.002 1.857 0.665 0.501 0.960 0.640 CB 1.279 26 residues pruned to eliminate duplicates Z: 12 20.554 2.139 0.486 0.878 1.000 0.909 CA 1.415 12 residues pruned to eliminate duplicates Z: 22 29.925 2.073 0.614 0.884 1.000 0.857 CA 1.409 22 residues pruned to eliminate duplicates Z: 12 23.704 2.090 0.888 0.901 1.000 0.909 CA 1.292 12 residues pruned to eliminate duplicates Z: 23 28.109 1.978 0.729 0.886 1.000 0.818 CB 1.264 23 residues pruned to eliminate duplicates Z: 15 21.493 1.734 1.008 0.844 1.000 0.786 CB 1.228 15 residues pruned to eliminate duplicates Z: 31 22.136 2.049 0.740 0.478 0.800 0.600 CB 1.449 31 residues pruned to eliminate duplicates Z: 9 6.233 1.696 0.481 0.641 0.750 0.375 CB 1.025 9 residues pruned to eliminate duplicates Z: 23 31.445 2.055 0.832 0.851 0.955 0.636 CA 1.381 23 residues pruned to eliminate duplicates Z: 25 19.673 1.919 0.233 0.870 1.000 0.917 CA 1.240 25 residues pruned to eliminate duplicates Z: 24 35.272 2.068 0.860 0.865 1.000 0.565 CA 1.400 24 residues pruned to eliminate duplicates Z: 28 16.900 1.946 0.453 0.462 0.889 0.444 CA 1.345 19 residues pruned to eliminate duplicates Z: 10 21.533 1.843 0.855 0.881 1.000 0.778 CB 1.520 10 residues pruned to eliminate duplicates Z: 35 12.477 1.819 0.458 0.374 0.824 0.471 CB 1.122 35 residues pruned to eliminate duplicates Z: 44 27.069 2.009 0.675 0.524 0.930 0.605 CA 1.288 13 residues pruned to eliminate duplicates Z: 6 5.231 1.879 0.252 0.445 1.000 0.600 CB 1.052 6 residues pruned to eliminate duplicates Z: 11 17.886 2.041 0.950 0.922 0.900 0.900 CB 1.111 11 residues pruned to eliminate duplicates Z: 13 19.027 1.933 0.536 0.888 0.917 0.917 CA 1.455 13 residues pruned to eliminate duplicates Z: 23 35.086 2.102 0.792 0.888 1.000 0.773 CA 1.431 23 residues pruned to eliminate duplicates Z: 14 21.843 1.744 0.761 0.885 1.000 0.769 CA 1.425 14 residues pruned to eliminate duplicates Z: 15 26.400 2.010 0.941 0.829 0.929 0.714 CA 1.465 15 residues pruned to eliminate duplicates Z: 13 30.997 2.098 1.201 0.874 1.000 0.750 CA 1.411 13 residues pruned to eliminate duplicates Z: 14 18.141 1.757 0.629 0.815 1.000 0.769 CA 1.336 14 residues pruned to eliminate duplicates Z: 11 22.250 1.846 1.090 0.876 0.900 0.700 CB 1.473 12 residues pruned to eliminate duplicates Z: 25 13.308 1.843 0.601 0.444 0.958 0.542 CB 1.018 25 residues pruned to eliminate duplicates Z: 14 25.621 1.933 1.020 0.860 1.000 0.769 CA 1.338 14 residues pruned to eliminate duplicates Z: 23 38.358 2.089 0.938 0.883 1.000 0.455 CA 1.460 23 residues pruned to eliminate duplicates Z: 13 15.312 1.794 0.882 0.871 1.000 0.583 CA 0.955 13 residues pruned to eliminate duplicates Z: 35 32.880 2.029 0.858 0.631 0.971 0.706 CA 1.363 35 residues pruned to eliminate duplicates Z: 20 16.257 2.008 0.696 0.377 0.895 0.316 CB 1.396 7 residues pruned to eliminate duplicates Z: 39 19.474 1.852 0.528 0.542 0.842 0.579 CB 1.272 39 residues pruned to eliminate duplicates Z: 23 38.310 2.076 0.978 0.874 1.000 0.773 CA 1.448 23 residues pruned to eliminate duplicates Z: 13 16.709 2.112 0.845 0.338 0.917 0.417 CB 1.612 13 residues pruned to eliminate duplicates Z: 24 20.827 1.967 0.361 0.865 0.957 0.696 CA 1.243 23 residues pruned to eliminate duplicates Z: 16 14.301 1.729 0.975 0.867 1.000 0.800 CA 0.791 16 residues pruned to eliminate duplicates Z: 23 28.088 1.975 0.576 0.871 1.000 0.682 CA 1.403 30 residues pruned to eliminate duplicates Z: 46 21.012 1.915 0.651 0.428 0.822 0.533 CB 1.298 42 residues pruned to eliminate duplicates Z: 9 15.512 1.999 0.629 0.617 1.000 0.625 CA 1.508 Z: 13 19.378 1.987 0.891 0.808 0.917 0.750 CA 1.242 13 residues pruned to eliminate duplicates Z: 12 21.459 1.910 0.749 0.895 1.000 1.000 CA 1.388 12 residues pruned to eliminate duplicates Z: 47 23.564 1.916 0.695 0.410 0.891 0.543 CB 1.319 47 residues pruned to eliminate duplicates Z: 16 14.949 1.873 0.482 0.724 0.867 0.733 CA 1.311 16 residues pruned to eliminate duplicates Z: 23 34.527 2.019 0.938 0.884 1.000 0.636 CB 1.359 24 residues pruned to eliminate duplicates Z: 46 28.154 2.005 0.650 0.479 0.933 0.600 CB 1.388 46 residues pruned to eliminate duplicates Z: 35 28.974 2.080 0.526 0.715 0.941 0.824 CB 1.369 34 residues pruned to eliminate duplicates Z: 8 12.943 2.070 0.321 0.622 1.000 0.286 CA 1.595 Z: 13 22.121 1.883 0.779 0.868 1.000 0.917 CA 1.393 13 residues pruned to eliminate duplicates Z: 39 30.629 2.040 0.721 0.581 0.895 0.711 CB 1.463 39 residues pruned to eliminate duplicates Z: 10 3.306 1.606 0.285 0.348 0.556 0.222 CB 1.134 10 residues pruned to eliminate duplicates Z: 14 21.510 1.741 0.696 0.888 1.000 0.846 CA 1.455 14 residues pruned to eliminate duplicates Z: 24 23.915 1.976 0.433 0.879 1.000 0.870 CA 1.277 24 residues pruned to eliminate duplicates Z: 15 21.463 1.813 0.839 0.823 0.929 0.714 CA 1.400 13 residues pruned to eliminate duplicates Z: 14 23.852 1.796 0.960 0.839 1.000 0.846 CA 1.403 14 residues pruned to eliminate duplicates Z: 23 29.435 2.041 0.620 0.879 1.000 0.955 CA 1.376 23 residues pruned to eliminate duplicates Z: 14 24.441 1.942 0.800 0.889 0.923 0.538 CA 1.512 14 residues pruned to eliminate duplicates Z: 38 23.774 1.906 0.599 0.589 0.892 0.514 CA 1.321 32 residues pruned to eliminate duplicates Z: 11 9.390 1.542 0.601 0.833 0.900 0.800 CB 1.003 Z: 23 29.456 2.092 0.435 0.894 1.000 0.864 CB 1.502 23 residues pruned to eliminate duplicates Z: 24 32.795 2.064 0.712 0.865 0.957 0.783 CB 1.481 24 residues pruned to eliminate duplicates Z: 23 36.083 2.025 1.193 0.862 0.909 0.727 CB 1.399 23 residues pruned to eliminate duplicates Z: 13 27.445 2.034 1.067 0.863 1.000 0.833 CA 1.384 13 residues pruned to eliminate duplicates Z: 12 20.569 1.922 0.609 0.862 1.000 0.909 CB 1.473 12 residues pruned to eliminate duplicates Z: 12 24.513 1.984 1.023 0.908 1.000 1.000 CA 1.308 12 residues pruned to eliminate duplicates Z: 13 22.024 1.932 0.997 0.823 0.917 0.833 CB 1.358 13 residues pruned to eliminate duplicates Z: 24 33.903 1.992 0.869 0.847 0.957 0.696 CB 1.474 24 residues pruned to eliminate duplicates Z: 6 3.537 1.642 0.172 0.547 0.800 0.800 CB 0.982 6 residues pruned to eliminate duplicates Z: 18 18.424 1.897 0.462 0.861 1.000 0.882 CA 1.184 18 residues pruned to eliminate duplicates Z: 22 35.608 2.058 1.028 0.864 0.952 0.619 CB 1.434 22 residues pruned to eliminate duplicates Z: 7 5.584 1.732 -0.023 0.894 1.000 1.000 CB 0.967 7 residues pruned to eliminate duplicates Z: 22 28.260 1.981 0.553 0.890 1.000 0.619 CB 1.442 22 residues pruned to eliminate duplicates Z: 10 21.446 1.888 0.663 0.914 1.000 0.778 O 1.611 10 residues pruned to eliminate duplicates Z: 7 11.124 1.757 0.546 0.707 1.000 0.667 CB 1.385 Z: 24 34.521 2.076 0.826 0.862 1.000 0.609 CA 1.395 24 residues pruned to eliminate duplicates Z: 18 13.198 1.972 0.471 0.437 0.824 0.588 CB 1.430 18 residues pruned to eliminate duplicates Z: 22 29.835 2.053 0.663 0.881 1.000 0.857 CA 1.381 22 residues pruned to eliminate duplicates Z: 23 38.494 2.075 0.895 0.905 1.000 0.909 CB 1.486 23 residues pruned to eliminate duplicates Z: 13 11.702 1.803 0.965 0.281 0.917 0.500 CB 1.332 Z: 15 14.206 1.903 0.562 0.468 0.929 0.571 CA 1.421 15 residues pruned to eliminate duplicates Z: 12 14.876 1.764 0.576 0.792 1.000 0.818 CA 1.249 12 residues pruned to eliminate duplicates Z: 10 5.646 1.691 0.548 0.224 0.778 0.444 CA 1.278 10 residues pruned to eliminate duplicates Z: 32 24.134 1.986 0.530 0.614 0.935 0.581 CB 1.369 32 residues pruned to eliminate duplicates Z: 30 19.323 1.901 0.463 0.628 0.897 0.724 CA 1.276 30 residues pruned to eliminate duplicates Z: 13 20.849 1.973 0.847 0.826 1.000 0.750 CA 1.245 12 residues pruned to eliminate duplicates Z: 8 4.278 1.536 0.315 0.365 0.714 0.429 N 1.295 Z: 23 36.207 2.049 1.012 0.871 0.955 0.818 CA 1.430 23 residues pruned to eliminate duplicates Z: 24 33.776 2.010 0.826 0.831 1.000 0.609 CA 1.442 24 residues pruned to eliminate duplicates Z: 24 36.769 2.030 0.907 0.853 1.000 0.739 CA 1.464 24 residues pruned to eliminate duplicates Z: 31 29.840 1.987 0.847 0.702 0.933 0.633 CB 1.322 31 residues pruned to eliminate duplicates Z: 13 14.909 1.674 0.629 0.874 1.000 0.833 CA 1.149 13 residues pruned to eliminate duplicates Z: 23 30.404 2.050 0.853 0.853 0.955 0.682 CA 1.322 23 residues pruned to eliminate duplicates Z: 23 35.270 2.081 0.832 0.886 1.000 0.864 CA 1.424 23 residues pruned to eliminate duplicates Z: 29 18.760 1.873 0.813 0.478 0.929 0.429 CB 1.150 29 residues pruned to eliminate duplicates Z: 78 40.826 2.008 0.856 0.548 0.922 0.494 CB 1.292 85 residues pruned to eliminate duplicates Z: 13 19.121 1.947 0.611 0.842 0.917 0.750 CA 1.430 13 residues pruned to eliminate duplicates Z: 14 19.583 1.984 0.519 0.830 1.000 0.769 CA 1.356 14 residues pruned to eliminate duplicates Z: 22 12.266 1.876 0.405 0.339 0.905 0.381 CB 1.337 17 residues pruned to eliminate duplicates Z: 13 15.616 1.838 0.646 0.925 1.000 1.000 CB 1.045 13 residues pruned to eliminate duplicates Z: 15 19.164 1.725 0.683 0.840 1.000 0.786 CA 1.317 15 residues pruned to eliminate duplicates Z: 58 35.648 2.046 0.520 0.610 0.930 0.649 CA 1.472 47 residues pruned to eliminate duplicates Z: 7 6.242 1.794 1.000 0.384 0.667 0.333 CA 1.205 Z: 12 29.759 2.187 0.774 0.892 1.000 0.818 CB 1.662 12 residues pruned to eliminate duplicates Z: 23 30.523 2.042 0.707 0.872 1.000 0.864 CA 1.362 23 residues pruned to eliminate duplicates Z: 7 13.076 1.898 0.587 0.779 1.000 0.500 CB 1.385 6 residues pruned to eliminate duplicates Z: 15 16.812 1.768 0.533 0.872 1.000 0.929 CA 1.208 15 residues pruned to eliminate duplicates Z: 10 13.373 1.815 0.530 0.742 1.000 0.889 CA 1.293 9 residues pruned to eliminate duplicates Z: 24 33.615 2.045 0.724 0.876 1.000 0.826 CA 1.445 24 residues pruned to eliminate duplicates Z: 12 10.921 1.671 0.746 0.827 0.909 0.727 CB 0.936 Z: 39 26.353 2.014 0.655 0.544 0.895 0.658 CB 1.373 39 residues pruned to eliminate duplicates Z: 8 2.391 1.760 0.351 0.437 0.857 0.429 CB 0.473 Z: 27 19.715 1.930 0.952 0.528 0.885 0.500 CB 1.129 11 residues pruned to eliminate duplicates Z: 43 38.155 2.151 0.856 0.534 0.929 0.524 CB 1.535 44 residues pruned to eliminate duplicates Z: 12 18.296 1.940 0.659 0.927 1.000 0.909 CB 1.201 12 residues pruned to eliminate duplicates Z: 83 36.357 1.971 0.631 0.604 0.915 0.646 CB 1.236 65 residues pruned to eliminate duplicates Z: 21 23.188 2.017 0.398 0.882 0.950 0.750 CA 1.401 21 residues pruned to eliminate duplicates Z: 9 11.241 1.956 0.935 0.401 0.875 0.625 CB 1.332 12 residues pruned to eliminate duplicates Z: 23 33.391 2.034 0.819 0.889 1.000 0.773 CB 1.385 23 residues pruned to eliminate duplicates Z: 12 11.158 1.755 0.705 0.890 1.000 0.727 CB 0.809 12 residues pruned to eliminate duplicates Z: 29 22.488 2.010 0.394 0.719 0.893 0.786 CB 1.394 29 residues pruned to eliminate duplicates Z: 36 26.051 1.976 0.838 0.511 0.886 0.600 CB 1.355 36 residues pruned to eliminate duplicates Z: 6 3.495 1.646 0.342 0.521 0.800 0.600 CB 0.866 Z: 29 16.366 1.811 0.525 0.561 0.821 0.571 CA 1.285 29 residues pruned to eliminate duplicates Z: 20 30.196 2.013 0.760 0.895 0.947 0.842 CA 1.479 20 residues pruned to eliminate duplicates Z: 15 17.230 1.812 0.661 0.768 0.929 0.857 CA 1.299 15 residues pruned to eliminate duplicates Z: 23 23.439 1.989 0.267 0.855 1.000 0.909 CA 1.464 23 residues pruned to eliminate duplicates Z: 56 25.299 1.858 0.533 0.500 0.909 0.636 CB 1.318 53 residues pruned to eliminate duplicates Z: 13 18.984 1.927 0.842 0.819 0.917 0.917 CA 1.277 13 residues pruned to eliminate duplicates Z: 12 18.942 2.070 0.620 0.871 0.909 0.727 CA 1.367 12 residues pruned to eliminate duplicates Z: 12 19.897 1.946 0.655 0.900 0.909 0.545 CB 1.464 12 residues pruned to eliminate duplicates Z: 38 30.907 1.954 0.878 0.471 0.973 0.568 CA 1.465 35 residues pruned to eliminate duplicates Z: 23 35.649 2.045 0.875 0.902 1.000 0.727 CA 1.414 23 residues pruned to eliminate duplicates Z: 46 21.892 1.899 0.552 0.427 0.867 0.600 CB 1.378 46 residues pruned to eliminate duplicates Z: 11 16.469 2.003 0.804 0.560 1.000 0.800 CB 1.359 11 residues pruned to eliminate duplicates Z: 38 33.439 2.001 0.675 0.665 0.973 0.703 CA 1.447 38 residues pruned to eliminate duplicates Z: 7 16.469 2.059 0.811 0.711 1.000 0.667 CB 1.488 7 residues pruned to eliminate duplicates Z: 10 7.032 1.835 0.335 0.511 0.667 0.667 CA 1.420 10 residues pruned to eliminate duplicates Z: 10 10.442 1.601 0.635 0.810 0.889 0.667 CB 1.142 10 residues pruned to eliminate duplicates Z: 20 13.925 1.951 0.440 0.437 0.895 0.526 CB 1.356 20 residues pruned to eliminate duplicates Z: 13 22.995 1.964 0.667 0.871 1.000 0.833 CA 1.478 13 residues pruned to eliminate duplicates Z: 13 17.848 1.864 0.434 0.849 1.000 0.750 CA 1.429 13 residues pruned to eliminate duplicates Z: 13 26.138 1.937 0.969 0.889 1.000 0.750 CA 1.424 13 residues pruned to eliminate duplicates Z: 9 10.728 1.893 0.540 0.620 0.875 0.625 CB 1.328 Z: 42 24.077 1.874 0.545 0.551 0.927 0.707 CB 1.333 15 residues pruned to eliminate duplicates Z: 26 20.685 1.915 0.792 0.516 0.920 0.640 CB 1.290 28 residues pruned to eliminate duplicates Z: 6 7.921 2.008 0.717 0.589 0.600 0.200 CB 1.573 6 residues pruned to eliminate duplicates Z: 17 13.262 1.772 0.620 0.480 0.812 0.500 CB 1.450 17 residues pruned to eliminate duplicates Z: 15 4.197 1.760 0.347 0.302 0.714 0.286 CB 0.826 6 residues pruned to eliminate duplicates Z: 24 33.018 2.059 0.869 0.854 0.957 0.696 CB 1.381 24 residues pruned to eliminate duplicates Z: 23 21.926 1.941 0.455 0.891 1.000 0.955 CA 1.191 23 residues pruned to eliminate duplicates Z: 16 19.198 1.727 0.610 0.875 1.000 0.733 CA 1.296 16 residues pruned to eliminate duplicates Z: 6 4.881 1.712 0.478 0.522 0.800 0.600 CB 1.055 Z: 23 24.183 2.027 0.492 0.883 0.955 0.909 CA 1.292 23 residues pruned to eliminate duplicates Z: 81 35.103 1.910 0.631 0.605 0.913 0.637 CB 1.250 81 residues pruned to eliminate duplicates Z: 13 19.563 1.919 0.653 0.823 1.000 0.917 CB 1.346 13 residues pruned to eliminate duplicates Z: 20 14.761 1.825 0.752 0.390 0.895 0.632 CB 1.330 Z: 10 10.649 1.703 0.808 0.907 1.000 0.889 CB 0.819 10 residues pruned to eliminate duplicates Z: 42 32.639 1.993 0.771 0.549 0.951 0.683 CB 1.448 42 residues pruned to eliminate duplicates Z: 7 6.458 1.891 0.318 0.510 0.833 0.667 CB 1.257 7 residues pruned to eliminate duplicates Z: 11 13.487 1.653 0.766 0.790 1.000 1.000 CA 1.133 11 residues pruned to eliminate duplicates Z: 24 28.137 1.916 0.644 0.848 1.000 0.609 CB 1.382 24 residues pruned to eliminate duplicates Z: 14 8.051 1.841 0.515 0.404 0.769 0.538 CB 1.151 14 residues pruned to eliminate duplicates Z: 44 34.830 2.067 0.876 0.458 0.930 0.512 CB 1.537 44 residues pruned to eliminate duplicates Z: 23 29.026 2.082 0.535 0.862 1.000 0.773 CA 1.421 23 residues pruned to eliminate duplicates Z: 6 11.307 1.943 1.116 0.634 1.000 0.600 CA 1.084 6 residues pruned to eliminate duplicates Z: 6 3.982 1.205 1.061 0.620 0.800 0.600 CB 0.800 Z: 15 15.868 1.889 0.496 0.728 0.929 0.571 CB 1.316 16 residues pruned to eliminate duplicates Z: 24 37.171 1.985 0.965 0.891 1.000 0.652 CA 1.428 24 residues pruned to eliminate duplicates Z: 7 11.266 1.956 0.561 0.711 0.833 0.667 CB 1.492 7 residues pruned to eliminate duplicates Z: 11 10.206 1.756 0.648 0.897 1.000 0.800 CB 0.798 Z: 9 9.451 1.814 0.260 0.902 1.000 0.750 CB 1.043 9 residues pruned to eliminate duplicates Z: 35 26.380 1.989 0.848 0.495 0.882 0.559 CB 1.403 35 residues pruned to eliminate duplicates Z: 22 27.821 1.980 0.671 0.894 1.000 0.762 CB 1.316 22 residues pruned to eliminate duplicates Z: 7 12.173 1.650 1.029 0.696 1.000 0.333 CA 1.241 7 residues pruned to eliminate duplicates Z: 12 19.264 1.829 0.561 0.932 1.000 0.909 CA 1.421 12 residues pruned to eliminate duplicates Z: 24 30.458 1.978 0.949 0.831 0.913 0.696 CA 1.356 24 residues pruned to eliminate duplicates Z: 12 24.050 1.969 0.848 0.895 1.000 1.000 CA 1.428 12 residues pruned to eliminate duplicates Z: 9 8.597 1.500 0.300 0.870 1.000 1.000 CB 1.138 Z: 43 27.443 1.997 0.599 0.489 0.952 0.667 CB 1.408 43 residues pruned to eliminate duplicates Z: 23 27.414 2.034 0.609 0.841 1.000 0.818 CA 1.332 23 residues pruned to eliminate duplicates Z: 37 18.851 1.908 0.589 0.420 0.889 0.611 CB 1.267 18 residues pruned to eliminate duplicates Z: 23 26.659 1.993 0.400 0.834 1.000 0.682 CB 1.527 23 residues pruned to eliminate duplicates Z: 22 29.286 1.991 0.679 0.861 1.000 0.762 CA 1.405 22 residues pruned to eliminate duplicates Z: 12 22.680 1.873 1.222 0.926 0.909 0.727 CB 1.267 11 residues pruned to eliminate duplicates Z: 15 8.548 1.857 0.951 0.337 0.714 0.357 CB 1.054 15 residues pruned to eliminate duplicates Z: 25 17.682 1.951 0.557 0.477 0.917 0.750 CB 1.327 25 residues pruned to eliminate duplicates Z: 36 25.744 1.914 0.552 0.706 1.000 0.600 CA 1.215 34 residues pruned to eliminate duplicates Z: 10 11.852 1.777 0.774 0.534 0.889 0.556 N 1.364 10 residues pruned to eliminate duplicates Z: 24 10.710 1.781 0.297 0.498 0.870 0.391 CB 1.114 16 residues pruned to eliminate duplicates Z: 16 8.389 1.690 0.340 0.334 0.867 0.467 CA 1.323 8 residues pruned to eliminate duplicates Z: 45 23.018 1.945 0.678 0.504 0.841 0.591 CB 1.259 23 residues pruned to eliminate duplicates Z: 20 13.852 1.749 0.732 0.604 0.895 0.526 CB 1.062 27 residues pruned to eliminate duplicates Z: 16 17.029 1.948 0.661 0.774 0.867 0.600 CA 1.231 16 residues pruned to eliminate duplicates Z: 24 35.614 2.015 0.915 0.854 1.000 0.783 CA 1.421 24 residues pruned to eliminate duplicates Z: 13 6.711 1.755 0.591 0.304 1.000 0.583 CB 0.863 7 residues pruned to eliminate duplicates Z: 23 28.012 1.979 0.557 0.864 1.000 0.636 CB 1.421 23 residues pruned to eliminate duplicates Z: 30 19.375 1.998 0.648 0.423 0.862 0.483 CB 1.373 16 residues pruned to eliminate duplicates Z: 23 34.747 2.081 0.783 0.863 1.000 0.727 CA 1.465 23 residues pruned to eliminate duplicates Z: 24 24.142 1.968 0.628 0.835 0.913 0.696 CA 1.289 24 residues pruned to eliminate duplicates Z: 14 8.397 1.693 0.480 0.566 0.923 0.692 CB 0.944 14 residues pruned to eliminate duplicates Z: 24 30.785 1.970 0.857 0.843 0.957 0.652 CB 1.366 24 residues pruned to eliminate duplicates Z: 41 28.741 1.994 0.727 0.547 0.950 0.625 CB 1.328 46 residues pruned to eliminate duplicates Z: 24 27.919 2.048 0.453 0.871 1.000 0.826 CA 1.427 24 residues pruned to eliminate duplicates Z: 46 32.840 2.022 0.818 0.447 0.933 0.556 CB 1.506 46 residues pruned to eliminate duplicates Z: 21 11.662 1.772 0.575 0.416 0.950 0.600 CB 1.073 19 residues pruned to eliminate duplicates Z: 12 15.327 1.776 0.842 0.878 1.000 0.909 CA 1.025 12 residues pruned to eliminate duplicates Z: 13 14.934 2.014 0.605 0.836 0.833 0.750 CA 1.198 13 residues pruned to eliminate duplicates Z: 6 3.326 1.579 0.453 0.621 1.000 1.000 CB 0.578 Z: 11 7.654 1.696 0.140 0.615 0.900 0.600 CB 1.247 11 residues pruned to eliminate duplicates Z: 14 12.464 1.696 0.534 0.613 0.923 0.538 CB 1.293 Z: 7 7.588 1.827 0.514 0.646 0.833 0.500 CA 1.173 8 residues pruned to eliminate duplicates Z: 24 30.520 1.940 0.985 0.831 0.957 0.696 CA 1.298 24 residues pruned to eliminate duplicates Z: 30 17.517 1.834 0.652 0.395 0.897 0.621 CB 1.338 27 residues pruned to eliminate duplicates Z: 23 32.751 2.011 0.730 0.878 1.000 0.727 CB 1.456 23 residues pruned to eliminate duplicates Z: 9 11.441 1.724 0.639 0.905 1.000 0.875 CB 1.019 9 residues pruned to eliminate duplicates Z: 8 6.513 1.483 0.701 0.564 0.714 0.571 CA 1.284 Z: 7 4.640 1.525 0.053 0.724 0.833 0.667 CA 1.157 7 residues pruned to eliminate duplicates Z: 17 5.961 1.793 0.196 0.414 0.812 0.375 CB 0.936 17 residues pruned to eliminate duplicates 6 1.238 1.340 0.882 0.296 0.600 0.400 CB 0.460 ? Z: 13 18.177 1.837 0.593 0.864 1.000 0.833 CB 1.314 13 residues pruned to eliminate duplicates Z: 11 11.033 1.577 0.376 0.853 1.000 0.800 CB 1.189 11 residues pruned to eliminate duplicates Z: 43 19.638 1.790 0.592 0.539 0.857 0.595 CB 1.194 43 residues pruned to eliminate duplicates Z: 10 9.432 1.603 0.782 0.631 0.889 0.444 CB 1.094 10 residues pruned to eliminate duplicates Z: 20 13.857 2.027 0.729 0.292 0.789 0.368 CB 1.450 20 residues pruned to eliminate duplicates Z: 83 37.719 2.024 0.739 0.453 0.902 0.537 CB 1.376 83 residues pruned to eliminate duplicates Z: 46 31.594 1.967 0.774 0.659 0.933 0.578 CB 1.248 46 residues pruned to eliminate duplicates Z: 24 32.066 2.080 0.700 0.862 1.000 0.826 CB 1.389 24 residues pruned to eliminate duplicates Z: 17 13.735 1.860 0.821 0.361 0.812 0.562 CB 1.450 17 residues pruned to eliminate duplicates Z: 22 24.829 1.979 0.685 0.853 0.857 0.667 CB 1.401 22 residues pruned to eliminate duplicates Z: 21 31.991 1.996 0.842 0.904 0.950 0.700 CB 1.458 34 residues pruned to eliminate duplicates Z: 13 22.174 1.800 0.993 0.837 0.917 0.583 CA 1.455 13 residues pruned to eliminate duplicates Z: 23 27.193 1.901 0.819 0.912 1.000 0.773 CB 1.188 23 residues pruned to eliminate duplicates Z: 35 29.008 2.025 0.578 0.701 1.000 0.794 CB 1.296 37 residues pruned to eliminate duplicates Z: 24 29.183 1.965 0.886 0.809 0.957 0.609 CB 1.312 24 residues pruned to eliminate duplicates Z: 13 12.344 1.734 0.284 0.899 1.000 0.833 CB 1.144 13 residues pruned to eliminate duplicates Z: 41 31.721 2.098 0.675 0.540 0.900 0.650 CA 1.525 30 residues pruned to eliminate duplicates Z: 10 5.388 1.838 0.296 0.377 0.889 0.556 CB 0.968 10 residues pruned to eliminate duplicates Z: 22 26.725 1.974 0.722 0.841 0.952 0.667 CB 1.343 22 residues pruned to eliminate duplicates Z: 21 23.155 2.002 0.492 0.883 1.000 0.950 CA 1.254 21 residues pruned to eliminate duplicates Z: 13 18.230 1.794 0.525 0.873 1.000 0.750 CB 1.401 13 residues pruned to eliminate duplicates Z: 13 14.634 1.650 0.590 0.822 1.000 0.667 CA 1.218 13 residues pruned to eliminate duplicates Z: 11 12.884 1.716 0.458 0.871 1.000 0.900 CB 1.187 11 residues pruned to eliminate duplicates Z: 10 4.290 1.583 0.598 0.359 0.778 0.556 CB 0.846 Z: 22 30.805 2.083 0.619 0.882 1.000 0.810 CA 1.443 22 residues pruned to eliminate duplicates Z: 10 9.404 1.862 0.881 0.890 1.000 0.444 CB 0.644 10 residues pruned to eliminate duplicates Z: 13 20.182 1.863 0.686 0.885 0.917 0.833 CA 1.460 13 residues pruned to eliminate duplicates Z: 13 17.432 1.919 0.706 0.838 1.000 0.583 CB 1.150 13 residues pruned to eliminate duplicates Z: 24 33.280 2.035 0.982 0.879 1.000 0.826 CA 1.248 24 residues pruned to eliminate duplicates Z: 23 29.375 1.989 0.680 0.875 1.000 0.591 CB 1.363 23 residues pruned to eliminate duplicates Z: 11 3.219 1.634 0.392 0.454 0.700 0.600 CB 0.670 Z: 13 20.902 1.796 0.786 0.917 0.917 0.750 CB 1.448 13 residues pruned to eliminate duplicates Z: 116 40.522 1.969 0.607 0.445 0.913 0.574 CB 1.384 120 residues pruned to eliminate duplicates Z: 8 11.896 1.777 1.206 0.607 0.857 0.714 N 1.209 8 residues pruned to eliminate duplicates Z: 16 14.340 1.989 0.589 0.422 0.867 0.600 CA 1.467 16 residues pruned to eliminate duplicates Z: 6 6.552 1.492 0.880 0.529 0.800 0.800 N 1.269 Z: 7 9.663 1.825 0.353 0.860 1.000 0.833 CB 1.174 7 residues pruned to eliminate duplicates Z: 18 10.279 1.808 0.694 0.393 0.824 0.294 CB 1.107 18 residues pruned to eliminate duplicates Z: 45 27.724 1.994 0.600 0.637 1.000 0.636 CB 1.152 45 residues pruned to eliminate duplicates Z: 23 36.959 2.072 1.033 0.843 1.000 0.500 CA 1.392 23 residues pruned to eliminate duplicates Z: 9 6.372 1.729 0.009 0.703 1.000 0.750 CB 1.073 9 residues pruned to eliminate duplicates Z: 38 27.132 1.995 0.666 0.523 0.946 0.676 CA 1.386 38 residues pruned to eliminate duplicates Z: 24 34.555 2.063 0.795 0.864 1.000 0.783 CA 1.426 24 residues pruned to eliminate duplicates Z: 30 15.403 1.907 0.500 0.483 0.759 0.586 CB 1.341 30 residues pruned to eliminate duplicates Z: 14 12.580 1.825 0.699 0.763 0.769 0.692 CB 1.159 14 residues pruned to eliminate duplicates Z: 6 7.136 1.735 0.673 0.599 0.800 0.600 CB 1.251 Z: 12 21.460 2.110 0.822 0.847 1.000 0.818 CA 1.250 12 residues pruned to eliminate duplicates Z: 36 25.697 1.953 0.612 0.597 0.914 0.629 CB 1.375 36 residues pruned to eliminate duplicates Z: 8 10.475 1.874 0.671 0.644 0.857 0.429 CB 1.289 11 residues pruned to eliminate duplicates Z: 38 27.663 1.955 0.673 0.587 0.919 0.703 CA 1.393 38 residues pruned to eliminate duplicates Z: 44 24.024 1.855 0.382 0.695 0.930 0.744 CA 1.286 37 residues pruned to eliminate duplicates Z: 27 13.245 1.738 0.581 0.400 0.885 0.462 CB 1.187 20 residues pruned to eliminate duplicates Z: 10 8.474 1.905 0.434 0.443 0.778 0.556 CB 1.410 10 residues pruned to eliminate duplicates Z: 46 40.358 2.125 0.851 0.513 0.956 0.578 CB 1.581 46 residues pruned to eliminate duplicates Z: 23 30.969 2.062 0.643 0.890 1.000 0.818 CA 1.402 23 residues pruned to eliminate duplicates Z: 42 28.348 1.979 0.743 0.521 0.902 0.634 CB 1.394 42 residues pruned to eliminate duplicates Z: 23 36.938 2.078 0.930 0.897 0.955 0.773 CA 1.472 23 residues pruned to eliminate duplicates Z: 27 27.556 2.064 0.926 0.542 0.885 0.538 CB 1.474 12 residues pruned to eliminate duplicates Z: 6 6.950 1.525 0.408 0.834 1.000 0.800 CB 1.085 6 residues pruned to eliminate duplicates Z: 8 5.478 1.645 0.529 0.352 0.857 0.429 CB 1.128 8 residues pruned to eliminate duplicates Z: 12 22.917 1.870 1.018 0.910 1.000 0.818 CB 1.298 12 residues pruned to eliminate duplicates Z: 14 10.154 1.770 0.412 0.577 0.769 0.385 CB 1.360 14 residues pruned to eliminate duplicates Z: 41 34.758 2.064 0.897 0.503 0.925 0.500 CB 1.513 41 residues pruned to eliminate duplicates Z: 42 23.143 1.942 0.619 0.456 0.927 0.610 CB 1.297 47 residues pruned to eliminate duplicates Z: 12 9.922 1.842 0.200 0.859 1.000 0.818 CB 0.995 12 residues pruned to eliminate duplicates Z: 37 22.401 1.980 0.555 0.469 0.944 0.500 CB 1.325 30 residues pruned to eliminate duplicates Z: 15 17.550 1.791 0.587 0.764 1.000 0.714 CA 1.305 15 residues pruned to eliminate duplicates Z: 12 19.104 1.876 0.760 0.851 1.000 0.727 CB 1.291 12 residues pruned to eliminate duplicates Z: 13 15.795 1.784 1.021 0.432 0.917 0.583 CB 1.480 11 residues pruned to eliminate duplicates Z: 24 27.987 1.958 0.796 0.858 1.000 0.870 CA 1.222 24 residues pruned to eliminate duplicates Z: 12 17.836 1.934 0.719 0.830 1.000 0.727 CA 1.216 12 residues pruned to eliminate duplicates Z: 8 8.042 1.616 0.244 0.821 0.857 0.714 C 1.335 6 residues pruned to eliminate duplicates Z: 41 30.052 1.986 0.793 0.524 0.925 0.550 CB 1.409 38 residues pruned to eliminate duplicates Z: 23 25.938 1.978 0.488 0.846 0.909 0.818 CB 1.536 23 residues pruned to eliminate duplicates Z: 13 25.624 1.963 0.854 0.897 1.000 0.917 CA 1.456 13 residues pruned to eliminate duplicates Z: 10 10.204 1.759 0.540 0.757 0.889 0.778 N 1.123 10 residues pruned to eliminate duplicates Z: 15 9.832 1.803 0.787 0.561 0.786 0.571 CB 0.979 15 residues pruned to eliminate duplicates Z: 37 25.268 1.912 0.705 0.599 0.889 0.694 CB 1.322 37 residues pruned to eliminate duplicates Z: 14 18.909 1.889 0.840 0.831 0.923 0.846 CB 1.228 14 residues pruned to eliminate duplicates Z: 13 18.108 1.765 1.393 0.894 0.833 0.667 CB 1.065 13 residues pruned to eliminate duplicates Z: 47 16.584 1.835 0.558 0.359 0.870 0.478 CB 1.145 47 residues pruned to eliminate duplicates Z: 31 15.378 1.867 0.399 0.513 0.833 0.367 CB 1.274 31 residues pruned to eliminate duplicates Z: 8 5.899 1.763 0.449 0.523 0.857 0.571 CB 0.996 8 residues pruned to eliminate duplicates Z: 46 24.128 1.919 0.694 0.414 0.889 0.556 CB 1.362 46 residues pruned to eliminate duplicates Z: 11 10.813 1.824 0.674 0.894 1.000 0.900 CB 0.804 11 residues pruned to eliminate duplicates Z: 14 16.675 1.835 0.849 0.804 0.923 0.615 CA 1.133 14 residues pruned to eliminate duplicates Z: 45 18.081 1.859 0.571 0.403 0.841 0.500 CB 1.229 45 residues pruned to eliminate duplicates Z: 8 5.758 1.661 0.050 0.834 0.857 0.714 CA 1.091 8 residues pruned to eliminate duplicates Z: 23 24.079 1.961 0.357 0.866 1.000 0.773 CB 1.412 23 residues pruned to eliminate duplicates Z: 8 3.342 1.791 -0.058 0.315 0.857 0.286 CB 1.072 Z: 18 10.447 1.985 0.717 0.267 0.706 0.353 CB 1.374 18 residues pruned to eliminate duplicates Z: 23 11.856 1.771 0.565 0.375 0.818 0.591 CB 1.275 23 residues pruned to eliminate duplicates Z: 11 16.751 1.825 0.420 0.788 1.000 0.900 CB 1.588 11 residues pruned to eliminate duplicates Z: 77 40.512 1.936 0.589 0.621 0.987 0.618 CB 1.366 81 residues pruned to eliminate duplicates Z: 10 14.941 1.819 0.686 0.754 1.000 0.667 N 1.295 10 residues pruned to eliminate duplicates Z: 9 10.817 1.632 0.607 0.909 1.000 0.875 CA 1.035 Z: 26 9.664 1.826 0.330 0.363 0.760 0.480 CB 1.214 26 residues pruned to eliminate duplicates Z: 7 7.839 1.483 0.590 0.794 1.000 0.667 CA 1.049 7 residues pruned to eliminate duplicates Z: 8 3.938 1.621 0.775 0.474 0.857 0.714 CB 0.620 6 1.118 1.481 -0.166 0.615 0.800 0.600 CB 0.453 ? Z: 7 7.880 1.542 0.848 0.876 0.833 0.500 CB 0.985 7 residues pruned to eliminate duplicates Z: 8 2.882 1.646 0.184 0.396 0.571 0.286 CB 1.092 8 residues pruned to eliminate duplicates Z: 8 13.308 1.605 1.059 0.732 1.000 0.429 CA 1.236 8 residues pruned to eliminate duplicates Z: 6 11.976 1.877 1.009 0.690 0.800 0.600 CA 1.492 6 residues pruned to eliminate duplicates Z: 43 25.917 1.968 0.811 0.511 0.881 0.571 CB 1.260 44 residues pruned to eliminate duplicates Z: 12 15.451 1.844 0.902 0.871 1.000 0.545 CB 0.969 12 residues pruned to eliminate duplicates Z: 39 24.885 1.904 0.948 0.449 0.842 0.421 CB 1.361 39 residues pruned to eliminate duplicates Z: 7 8.839 1.788 0.651 0.739 1.000 0.333 CA 0.986 7 residues pruned to eliminate duplicates Z: 39 22.860 1.847 0.574 0.610 0.895 0.632 CB 1.284 39 residues pruned to eliminate duplicates Z: 12 14.076 1.940 0.466 0.902 1.000 0.909 CB 1.064 12 residues pruned to eliminate duplicates Z: 10 7.624 1.673 0.230 0.559 0.889 0.556 O 1.313 5 residues pruned to eliminate duplicates Z: 24 25.952 2.021 0.457 0.901 1.000 0.870 CA 1.312 24 residues pruned to eliminate duplicates Z: 26 21.354 1.959 0.312 0.783 0.920 0.840 CB 1.408 26 residues pruned to eliminate duplicates Z: 22 27.342 2.010 0.621 0.871 0.952 0.762 CB 1.403 22 residues pruned to eliminate duplicates Z: 63 31.092 1.994 0.687 0.530 0.919 0.613 CB 1.240 65 residues pruned to eliminate duplicates Z: 19 11.122 1.806 0.593 0.422 0.889 0.667 CB 1.112 19 residues pruned to eliminate duplicates Z: 7 7.465 1.483 0.695 0.817 1.000 0.500 CB 0.921 7 residues pruned to eliminate duplicates Z: 42 25.601 1.983 0.604 0.518 0.878 0.634 CB 1.405 42 residues pruned to eliminate duplicates Z: 7 15.213 1.698 1.533 0.878 0.833 0.500 CB 1.258 7 residues pruned to eliminate duplicates Z: 13 16.844 1.767 0.593 0.930 0.917 0.833 CA 1.317 13 residues pruned to eliminate duplicates Z: 48 21.634 1.902 0.560 0.419 0.894 0.638 CB 1.295 48 residues pruned to eliminate duplicates Z: 6 7.215 1.519 0.556 0.695 1.000 0.800 CA 1.143 Z: 24 24.507 1.910 0.540 0.879 1.000 0.826 CA 1.259 24 residues pruned to eliminate duplicates Z: 22 30.975 1.991 0.756 0.864 1.000 0.857 CB 1.417 22 residues pruned to eliminate duplicates Z: 15 9.373 1.744 0.263 0.620 0.929 0.714 CB 1.094 15 residues pruned to eliminate duplicates Z: 11 8.045 1.554 0.401 0.697 0.900 0.600 CA 1.085 11 residues pruned to eliminate duplicates Z: 7 4.845 1.717 0.844 0.500 0.833 0.500 CB 0.750 7 residues pruned to eliminate duplicates Z: 40 24.838 1.973 0.727 0.444 0.923 0.538 CB 1.340 41 residues pruned to eliminate duplicates Z: 13 12.721 1.933 0.253 0.835 1.000 0.833 CA 1.136 13 residues pruned to eliminate duplicates Z: 41 24.873 1.884 0.493 0.613 0.950 0.675 CB 1.322 42 residues pruned to eliminate duplicates Z: 15 16.956 1.957 0.674 0.469 0.929 0.643 CB 1.538 19 residues pruned to eliminate duplicates Z: 36 31.195 2.048 0.688 0.637 0.971 0.686 CA 1.381 35 residues pruned to eliminate duplicates Z: 22 22.592 1.963 0.469 0.854 0.952 0.667 CA 1.325 22 residues pruned to eliminate duplicates Z: 7 7.722 1.661 0.305 0.811 1.000 0.833 CB 1.110 7 residues pruned to eliminate duplicates Z: 29 11.196 1.690 0.418 0.344 0.857 0.679 CB 1.221 29 residues pruned to eliminate duplicates Z: 24 36.171 2.100 0.819 0.893 1.000 0.870 CA 1.418 24 residues pruned to eliminate duplicates Z: 15 9.452 1.681 0.653 0.435 0.786 0.571 CB 1.237 15 residues pruned to eliminate duplicates Z: 25 17.417 1.984 0.326 0.595 0.958 0.625 CA 1.287 25 residues pruned to eliminate duplicates 6 1.667 1.752 0.081 0.285 0.800 0.800 CB 0.627 ? Z: 86 38.953 2.010 0.606 0.493 0.906 0.565 CB 1.455 86 residues pruned to eliminate duplicates Z: 23 34.003 2.079 0.713 0.893 0.955 0.636 CB 1.531 23 residues pruned to eliminate duplicates Z: 8 4.244 1.457 0.376 0.468 0.857 0.714 CB 0.964 Z: 28 20.508 1.871 0.504 0.620 0.963 0.778 CB 1.300 27 residues pruned to eliminate duplicates Z: 13 27.487 1.957 1.452 0.870 1.000 0.583 CA 1.207 13 residues pruned to eliminate duplicates Z: 38 23.760 1.891 0.644 0.558 0.865 0.622 CB 1.373 38 residues pruned to eliminate duplicates Z: 13 22.265 2.012 0.809 0.821 0.917 0.417 CA 1.458 13 residues pruned to eliminate duplicates Z: 37 20.624 1.979 0.516 0.512 0.889 0.667 CA 1.273 38 residues pruned to eliminate duplicates Z: 15 17.663 1.832 0.872 0.753 0.857 0.857 CB 1.281 15 residues pruned to eliminate duplicates Z: 14 7.188 1.753 0.374 0.290 0.846 0.308 CB 1.238 14 residues pruned to eliminate duplicates Z: 38 26.417 1.979 0.727 0.530 0.892 0.486 CB 1.384 38 residues pruned to eliminate duplicates Z: 22 29.033 1.947 0.827 0.858 0.952 0.667 CB 1.378 22 residues pruned to eliminate duplicates Z: 12 21.173 1.930 0.763 0.911 1.000 0.818 CB 1.329 12 residues pruned to eliminate duplicates Z: 13 27.949 1.869 1.093 0.862 1.000 0.583 CB 1.514 13 residues pruned to eliminate duplicates Z: 42 41.841 2.112 0.890 0.572 0.976 0.585 CB 1.565 41 residues pruned to eliminate duplicates Z: 7 2.512 1.649 -0.156 0.247 0.833 0.500 N 1.184 7 residues pruned to eliminate duplicates Z: 12 4.007 1.685 0.594 0.258 0.636 0.545 CB 0.933 10 residues pruned to eliminate duplicates Z: 21 21.576 1.983 0.365 0.867 0.900 0.700 CB 1.448 21 residues pruned to eliminate duplicates Z: 10 8.317 1.809 0.596 0.908 1.000 0.889 CB 0.682 10 residues pruned to eliminate duplicates Z: 11 7.156 1.601 0.799 0.330 0.800 0.400 CB 1.183 11 residues pruned to eliminate duplicates Z: 6 9.046 1.783 0.588 0.681 1.000 0.600 CA 1.210 Z: 43 21.150 1.894 0.681 0.432 0.881 0.524 CB 1.248 43 residues pruned to eliminate duplicates Z: 13 20.043 1.927 0.768 0.820 0.917 0.667 CB 1.404 13 residues pruned to eliminate duplicates Z: 10 6.046 1.550 0.509 0.402 0.778 0.778 CA 1.229 Z: 40 26.452 1.969 0.764 0.615 0.923 0.538 CB 1.185 40 residues pruned to eliminate duplicates Z: 8 10.262 1.712 0.400 0.890 1.000 0.857 CB 1.164 8 residues pruned to eliminate duplicates Z: 7 8.792 1.832 0.189 0.842 1.000 0.500 CB 1.227 7 residues pruned to eliminate duplicates Z: 23 35.153 2.028 1.022 0.846 0.955 0.636 CA 1.422 23 residues pruned to eliminate duplicates Z: 23 29.800 2.067 0.614 0.885 0.955 0.773 CA 1.440 23 residues pruned to eliminate duplicates Z: 31 24.072 1.942 0.548 0.631 0.967 0.733 CB 1.337 31 residues pruned to eliminate duplicates Z: 20 25.654 2.059 0.498 0.918 0.947 0.895 CA 1.420 20 residues pruned to eliminate duplicates Z: 14 7.256 1.654 0.381 0.571 0.769 0.538 CB 1.069 14 residues pruned to eliminate duplicates Z: 6 6.867 1.857 0.533 0.836 1.000 1.000 CB 0.807 6 residues pruned to eliminate duplicates Z: 13 14.377 1.545 0.795 0.793 0.917 0.750 CA 1.263 13 residues pruned to eliminate duplicates Z: 40 22.622 2.006 0.642 0.492 0.872 0.564 CB 1.272 40 residues pruned to eliminate duplicates Z: 16 11.892 1.752 0.582 0.537 0.933 0.467 CA 1.145 7 residues pruned to eliminate duplicates Z: 9 11.205 1.854 0.362 0.657 1.000 0.875 CB 1.356 9 residues pruned to eliminate duplicates Z: 7 3.719 1.457 0.380 0.490 0.833 0.500 CB 0.915 Z: 24 35.771 2.102 0.745 0.877 1.000 0.739 CA 1.477 24 residues pruned to eliminate duplicates Z: 42 30.351 1.931 0.852 0.500 0.951 0.537 CA 1.393 37 residues pruned to eliminate duplicates Z: 20 17.960 1.956 0.668 0.504 0.947 0.474 CB 1.328 20 residues pruned to eliminate duplicates Z: 41 23.820 1.902 0.420 0.646 1.000 0.625 CB 1.217 41 residues pruned to eliminate duplicates Z: 12 8.440 1.704 0.790 0.536 0.818 0.727 CB 0.984 12 residues pruned to eliminate duplicates Z: 8 12.217 1.970 0.885 0.468 0.857 0.714 N 1.498 8 residues pruned to eliminate duplicates Z: 16 9.316 1.858 0.622 0.388 0.800 0.533 CB 1.123 16 residues pruned to eliminate duplicates Z: 12 6.289 1.516 0.716 0.868 0.909 0.727 CB 0.587 12 residues pruned to eliminate duplicates Z: 11 26.555 1.965 1.088 0.922 1.000 1.000 CB 1.439 12 residues pruned to eliminate duplicates Z: 23 26.812 2.056 0.460 0.850 1.000 0.818 CA 1.411 23 residues pruned to eliminate duplicates 6 1.907 1.539 0.187 0.399 0.800 0.600 CB 0.649 ? Z: 7 11.106 1.510 1.048 0.763 1.000 0.500 N 1.161 7 residues pruned to eliminate duplicates Z: 36 18.873 1.833 0.547 0.411 0.943 0.486 CB 1.309 36 residues pruned to eliminate duplicates Z: 13 18.159 1.992 0.574 0.886 0.917 0.833 CA 1.315 13 residues pruned to eliminate duplicates Z: 25 14.440 1.800 0.594 0.509 0.917 0.583 CA 1.110 21 residues pruned to eliminate duplicates Z: 7 6.173 1.701 0.596 0.453 0.667 0.333 CA 1.461 8 residues pruned to eliminate duplicates Z: 7 3.807 1.710 -0.001 0.479 0.833 0.833 CB 1.115 Z: 23 26.184 1.978 0.643 0.876 0.909 0.682 CB 1.373 23 residues pruned to eliminate duplicates Z: 73 36.643 1.939 0.619 0.621 0.889 0.597 CB 1.380 73 residues pruned to eliminate duplicates Z: 23 19.064 1.881 0.465 0.855 0.955 0.818 CA 1.141 23 residues pruned to eliminate duplicates Z: 13 21.547 1.960 0.968 0.927 1.000 0.667 CB 1.130 13 residues pruned to eliminate duplicates Z: 10 3.736 1.388 0.558 0.458 0.778 0.556 N 0.773 Z: 78 39.887 1.939 0.627 0.611 0.948 0.571 CB 1.368 78 residues pruned to eliminate duplicates Z: 20 18.783 1.866 0.711 0.479 0.947 0.684 CA 1.455 20 residues pruned to eliminate duplicates Z: 26 12.857 1.841 0.383 0.510 0.840 0.600 CB 1.190 26 residues pruned to eliminate duplicates Z: 42 22.444 1.903 0.497 0.502 0.854 0.537 CA 1.438 42 residues pruned to eliminate duplicates Z: 9 9.692 1.869 0.956 0.488 0.875 0.500 CA 1.085 9 residues pruned to eliminate duplicates Z: 24 15.259 2.033 0.656 0.301 0.913 0.435 CB 1.292 23 residues pruned to eliminate duplicates Z: 9 7.676 1.967 0.196 0.523 0.875 0.625 CB 1.289 9 residues pruned to eliminate duplicates Z: 24 26.354 1.976 0.640 0.891 1.000 0.957 CA 1.219 24 residues pruned to eliminate duplicates Z: 6 2.190 1.486 0.495 0.321 0.600 0.600 CB 0.895 6 residues pruned to eliminate duplicates Z: 8 6.088 1.806 0.639 0.291 0.857 0.571 CA 1.146 8 residues pruned to eliminate duplicates Z: 7 6.265 1.719 0.522 0.857 1.000 0.667 CB 0.720 Z: 11 14.456 1.749 0.982 0.891 1.000 0.800 CB 0.948 12 residues pruned to eliminate duplicates Z: 11 14.671 1.783 0.348 0.928 1.000 1.000 CA 1.351 11 residues pruned to eliminate duplicates Z: 25 27.910 1.970 0.515 0.878 1.000 0.792 CA 1.385 25 residues pruned to eliminate duplicates Z: 48 20.271 1.838 0.603 0.410 0.851 0.596 CB 1.295 48 residues pruned to eliminate duplicates 9 1.971 1.193 0.260 0.441 0.750 0.500 CB 0.657 ? Z: 15 13.829 1.822 0.546 0.675 0.857 0.714 CB 1.303 15 residues pruned to eliminate duplicates Z: 30 22.255 1.858 0.562 0.598 0.966 0.828 CA 1.343 30 residues pruned to eliminate duplicates Z: 25 12.856 1.859 0.537 0.435 0.958 0.542 CB 1.025 25 residues pruned to eliminate duplicates Z: 6 3.000 1.645 0.155 0.493 0.800 0.400 CB 0.889 Z: 12 13.423 1.645 0.675 0.715 1.000 0.909 CA 1.209 12 residues pruned to eliminate duplicates Z: 42 34.274 2.020 0.846 0.678 0.976 0.707 CB 1.249 42 residues pruned to eliminate duplicates Z: 12 14.700 1.877 0.474 0.900 1.000 0.909 CA 1.145 12 residues pruned to eliminate duplicates Z: 25 14.106 1.768 0.673 0.469 0.917 0.625 CB 1.096 25 residues pruned to eliminate duplicates Z: 8 8.248 1.778 0.041 0.870 1.000 0.857 CB 1.230 8 residues pruned to eliminate duplicates Z: 14 7.789 1.799 0.309 0.632 0.769 0.538 CB 1.054 14 residues pruned to eliminate duplicates Z: 44 26.227 1.898 0.747 0.640 0.907 0.488 CB 1.166 44 residues pruned to eliminate duplicates Z: 15 7.938 1.575 0.658 0.595 0.786 0.571 CB 0.945 15 residues pruned to eliminate duplicates Z: 14 24.987 2.034 0.731 0.844 1.000 0.846 CA 1.464 14 residues pruned to eliminate duplicates Z: 11 3.547 1.421 0.453 0.401 0.700 0.400 CB 0.861 Z: 36 23.441 1.885 0.675 0.579 0.943 0.714 CB 1.234 36 residues pruned to eliminate duplicates Z: 6 6.775 1.508 0.816 0.466 1.000 0.800 CB 1.145 Z: 56 22.905 1.822 0.592 0.481 0.891 0.618 CB 1.218 41 residues pruned to eliminate duplicates Z: 21 14.570 1.769 0.543 0.568 0.950 0.650 CB 1.177 21 residues pruned to eliminate duplicates Z: 7 8.222 1.529 0.575 0.843 1.000 0.833 CA 1.038 7 residues pruned to eliminate duplicates Z: 43 34.997 2.064 0.849 0.486 0.929 0.548 CB 1.545 43 residues pruned to eliminate duplicates Z: 6 5.684 1.628 0.628 0.588 0.800 0.800 CB 1.101 6 residues pruned to eliminate duplicates Z: 41 25.177 1.881 0.549 0.587 0.975 0.600 CB 1.289 41 residues pruned to eliminate duplicates Z: 6 2.735 1.448 -0.075 0.469 0.800 0.600 CA 1.178 6 residues pruned to eliminate duplicates Z: 40 20.660 1.870 0.488 0.564 0.923 0.667 CB 1.211 40 residues pruned to eliminate duplicates Z: 18 15.282 2.009 0.568 0.335 0.941 0.353 CA 1.497 18 residues pruned to eliminate duplicates Z: 11 13.751 1.521 0.905 0.849 1.000 0.800 CA 1.112 9 residues pruned to eliminate duplicates Z: 9 11.134 1.642 0.337 0.858 1.000 0.875 CA 1.321 9 residues pruned to eliminate duplicates Z: 9 6.233 1.774 0.663 0.334 0.750 0.625 CA 1.193 3 residues pruned to eliminate duplicates Z: 10 8.959 1.500 0.609 0.879 1.000 0.667 CA 0.897 10 residues pruned to eliminate duplicates Z: 13 9.904 1.966 0.450 0.235 0.917 0.750 CB 1.488 13 residues pruned to eliminate duplicates Z: 7 11.312 2.020 0.490 0.518 1.000 0.833 CB 1.506 7 residues pruned to eliminate duplicates Z: 41 36.201 2.113 0.845 0.526 0.900 0.675 CB 1.590 41 residues pruned to eliminate duplicates Z: 7 4.748 1.632 0.553 0.666 0.833 0.333 CB 0.787 Z: 15 5.468 1.704 0.505 0.251 0.714 0.500 CB 1.063 15 residues pruned to eliminate duplicates 7 0.825 1.824 0.291 0.386 0.833 0.667 CB 0.194 ? Z: 6 4.396 1.459 0.940 0.665 1.000 0.800 CB 0.596 Z: 6 4.656 1.748 0.365 0.444 1.000 0.800 CB 0.924 6 residues pruned to eliminate duplicates Z: 7 2.872 1.640 0.207 0.199 0.833 0.333 CA 1.017 Z: 12 14.454 1.684 0.623 0.813 0.909 0.818 CA 1.336 12 residues pruned to eliminate duplicates Z: 12 9.597 1.474 0.513 0.834 0.909 0.727 CB 1.070 Z: 41 32.478 2.095 0.756 0.498 0.925 0.450 CB 1.512 41 residues pruned to eliminate duplicates Z: 9 8.427 1.596 0.763 0.820 0.875 0.500 CB 0.917 9 residues pruned to eliminate duplicates Z: 9 12.625 1.814 0.529 0.909 1.000 0.875 CB 1.141 9 residues pruned to eliminate duplicates Z: 7 6.143 1.752 0.281 0.776 0.833 0.333 CA 1.051 7 residues pruned to eliminate duplicates Z: 8 10.548 1.677 0.687 0.713 0.857 0.286 CA 1.356 8 residues pruned to eliminate duplicates Z: 26 17.051 1.836 0.687 0.420 0.880 0.440 CB 1.359 26 residues pruned to eliminate duplicates Z: 24 23.247 1.846 0.456 0.857 1.000 0.739 CA 1.329 24 residues pruned to eliminate duplicates Z: 20 14.711 1.802 0.514 0.468 0.895 0.684 CB 1.428 20 residues pruned to eliminate duplicates 6 1.847 1.587 0.380 0.290 0.600 0.400 N 0.796 ? Z: 63 42.863 2.030 0.812 0.594 0.968 0.645 CA 1.398 63 residues pruned to eliminate duplicates Z: 42 29.350 1.947 0.839 0.478 0.951 0.439 CB 1.375 41 residues pruned to eliminate duplicates Z: 10 8.336 1.578 0.480 0.883 1.000 0.778 CB 0.860 10 residues pruned to eliminate duplicates Z: 23 28.642 1.982 0.795 0.811 0.909 0.727 CB 1.441 23 residues pruned to eliminate duplicates Z: 6 6.131 1.603 0.703 0.445 0.800 0.400 CB 1.329 6 residues pruned to eliminate duplicates Z: 20 25.226 2.021 0.530 0.900 1.000 0.737 CB 1.336 20 residues pruned to eliminate duplicates Z: 41 33.335 1.976 0.843 0.510 0.975 0.500 CB 1.470 41 residues pruned to eliminate duplicates Z: 7 3.582 1.668 0.557 0.514 0.833 0.333 CB 0.666 Z: 20 10.170 1.687 0.377 0.430 0.947 0.579 CB 1.140 24 residues pruned to eliminate duplicates 9 1.390 1.673 -0.102 0.434 0.750 0.500 CB 0.467 ? Z: 13 8.879 1.825 0.215 0.509 0.917 0.667 CB 1.250 13 residues pruned to eliminate duplicates Z: 33 19.794 1.906 0.530 0.519 0.938 0.719 CB 1.256 33 residues pruned to eliminate duplicates Z: 14 12.724 1.780 0.727 0.792 0.769 0.692 CB 1.155 14 residues pruned to eliminate duplicates Z: 6 4.128 1.544 0.536 0.336 0.800 0.600 N 1.163 Z: 11 11.884 1.631 0.553 0.886 0.900 0.400 CB 1.189 11 residues pruned to eliminate duplicates Z: 19 10.939 1.742 0.744 0.444 0.778 0.500 CB 1.156 23 residues pruned to eliminate duplicates Z: 22 32.622 1.982 0.921 0.870 1.000 0.667 CB 1.365 22 residues pruned to eliminate duplicates Z: 8 3.881 1.510 0.594 0.285 1.000 0.714 CB 0.776 Z: 77 37.746 1.937 0.633 0.596 0.934 0.618 CB 1.336 77 residues pruned to eliminate duplicates Z: 7 8.358 1.718 0.719 0.572 1.000 0.833 CB 1.078 7 residues pruned to eliminate duplicates Z: 10 5.324 1.593 0.691 0.416 0.778 0.556 CB 0.925 Z: 21 22.940 1.929 0.498 0.933 1.000 1.000 CA 1.238 21 residues pruned to eliminate duplicates Z: 6 4.025 1.653 1.002 0.252 0.600 0.400 N 1.206 Z: 13 15.658 1.784 0.539 0.874 1.000 0.917 CB 1.198 13 residues pruned to eliminate duplicates Z: 6 3.663 1.521 0.210 0.700 1.000 1.000 CB 0.742 Z: 37 18.898 1.893 0.469 0.488 0.889 0.528 CB 1.290 37 residues pruned to eliminate duplicates Z: 10 8.685 1.648 0.577 0.481 0.889 0.556 N 1.277 Z: 10 9.042 1.841 0.878 0.523 0.778 0.667 CB 1.095 Z: 47 25.583 1.867 0.552 0.571 0.935 0.696 CB 1.300 47 residues pruned to eliminate duplicates Z: 14 15.352 1.921 0.625 0.671 0.923 0.692 CB 1.262 14 residues pruned to eliminate duplicates Z: 37 31.161 2.020 0.667 0.672 0.944 0.639 CA 1.393 37 residues pruned to eliminate duplicates Z: 20 8.248 1.686 0.564 0.400 0.789 0.368 CB 1.009 20 residues pruned to eliminate duplicates Z: 26 22.023 2.006 0.539 0.588 0.960 0.760 CB 1.365 26 residues pruned to eliminate duplicates Z: 13 8.548 1.917 0.100 0.585 0.833 0.333 CB 1.294 13 residues pruned to eliminate duplicates Z: 10 6.848 1.704 0.135 0.587 0.889 0.556 CB 1.221 10 residues pruned to eliminate duplicates Z: 73 38.501 1.987 0.645 0.589 0.944 0.653 CB 1.351 73 residues pruned to eliminate duplicates Z: 11 13.035 1.864 0.422 0.905 1.000 0.900 CB 1.107 11 residues pruned to eliminate duplicates Z: 6 6.516 1.765 0.348 0.686 1.000 0.800 CB 1.033 Z: 11 14.560 1.928 0.639 0.892 0.800 0.700 CB 1.308 11 residues pruned to eliminate duplicates Z: 24 30.960 1.920 0.909 0.840 1.000 0.652 CA 1.314 24 residues pruned to eliminate duplicates Z: 16 12.525 1.866 0.640 0.411 0.867 0.400 CB 1.339 16 residues pruned to eliminate duplicates Z: 15 20.888 1.992 0.857 0.819 0.929 0.714 CA 1.233 15 residues pruned to eliminate duplicates Z: 8 4.599 1.668 0.505 0.197 0.857 0.571 N 1.159 Z: 12 16.469 1.965 0.434 0.840 1.000 0.818 CA 1.315 12 residues pruned to eliminate duplicates Z: 6 4.302 1.627 0.107 0.618 1.000 0.400 CB 0.955 6 residues pruned to eliminate duplicates Z: 41 27.119 1.954 0.700 0.623 0.950 0.625 CB 1.210 41 residues pruned to eliminate duplicates Z: 10 12.143 1.796 0.803 0.560 0.889 0.778 CA 1.326 15 residues pruned to eliminate duplicates Z: 11 9.327 1.583 0.595 0.679 0.900 0.700 CB 1.101 11 residues pruned to eliminate duplicates Z: 13 11.894 1.946 0.563 0.468 0.917 0.833 CB 1.272 13 residues pruned to eliminate duplicates Z: 17 8.445 1.892 0.160 0.540 0.812 0.500 CB 1.139 17 residues pruned to eliminate duplicates Z: 11 17.454 2.062 0.649 0.930 1.000 1.000 CB 1.135 11 residues pruned to eliminate duplicates Z: 25 14.180 1.766 0.539 0.420 0.875 0.500 N 1.324 25 residues pruned to eliminate duplicates Z: 42 33.045 2.059 0.832 0.482 0.927 0.488 CB 1.503 42 residues pruned to eliminate duplicates Z: 43 20.064 1.896 0.652 0.417 0.857 0.524 CB 1.257 43 residues pruned to eliminate duplicates Z: 44 20.960 1.884 0.687 0.427 0.907 0.605 CB 1.197 44 residues pruned to eliminate duplicates Z: 18 10.721 1.763 0.645 0.358 0.882 0.294 CB 1.185 29 residues pruned to eliminate duplicates Z: 32 30.734 2.058 0.860 0.565 0.935 0.581 CB 1.448 32 residues pruned to eliminate duplicates 6 1.537 1.590 0.771 0.445 1.000 0.600 CB 0.258 ? Z: 11 14.591 1.942 0.490 0.934 1.000 0.900 CB 1.112 11 residues pruned to eliminate duplicates Z: 9 6.401 1.519 0.786 0.712 0.875 0.500 CB 0.787 7 residues pruned to eliminate duplicates Z: 24 12.442 1.794 0.549 0.496 0.870 0.565 CB 1.077 19 residues pruned to eliminate duplicates Z: 40 32.312 1.994 0.743 0.531 0.974 0.641 CA 1.481 40 residues pruned to eliminate duplicates Z: 6 4.401 1.456 0.564 0.420 0.800 0.600 CB 1.174 Z: 12 28.012 1.963 1.159 0.870 1.000 0.636 CB 1.454 12 residues pruned to eliminate duplicates Z: 77 31.012 1.905 0.634 0.476 0.908 0.526 CB 1.290 74 residues pruned to eliminate duplicates Z: 7 8.314 1.985 0.482 0.686 0.667 0.667 CA 1.460 7 residues pruned to eliminate duplicates Z: 26 12.568 1.816 0.450 0.432 0.920 0.720 CB 1.113 26 residues pruned to eliminate duplicates Z: 12 14.399 1.739 0.520 0.781 0.909 0.818 CA 1.411 12 residues pruned to eliminate duplicates Z: 7 3.870 1.743 0.046 0.361 0.833 0.500 CB 1.208 7 residues pruned to eliminate duplicates Z: 9 11.892 1.779 0.558 0.596 1.000 0.625 CB 1.385 9 residues pruned to eliminate duplicates Z: 13 2.842 1.402 0.119 0.229 1.000 0.500 CB 0.717 Z: 10 13.432 1.923 1.093 0.833 0.778 0.667 CB 1.073 10 residues pruned to eliminate duplicates Z: 27 28.979 2.090 0.598 0.594 0.962 0.654 CB 1.618 28 residues pruned to eliminate duplicates Z: 7 2.522 1.294 0.563 0.414 0.667 0.167 CA 0.836 Z: 16 15.085 1.985 0.851 0.344 0.867 0.600 CB 1.449 18 residues pruned to eliminate duplicates Z: 6 4.136 1.642 0.051 0.451 1.000 0.600 CB 1.127 Z: 9 7.544 1.682 0.354 0.683 0.875 0.625 CA 1.131 9 residues pruned to eliminate duplicates Z: 78 38.021 1.915 0.633 0.607 0.935 0.610 CB 1.339 78 residues pruned to eliminate duplicates Z: 21 20.642 1.958 0.337 0.879 1.000 0.850 CA 1.278 21 residues pruned to eliminate duplicates Z: 6 4.145 1.432 0.594 0.879 1.000 0.800 CB 0.589 4 residues pruned to eliminate duplicates Z: 13 12.062 1.761 0.496 0.778 0.917 0.833 CA 1.129 13 residues pruned to eliminate duplicates Z: 80 38.572 2.014 0.717 0.552 0.924 0.544 CB 1.291 80 residues pruned to eliminate duplicates Z: 6 6.934 1.571 0.408 0.888 1.000 0.800 CA 1.011 6 residues pruned to eliminate duplicates Z: 7 10.869 1.633 0.857 0.763 1.000 0.500 CB 1.159 7 residues pruned to eliminate duplicates Z: 7 3.967 1.802 0.424 0.409 0.833 0.500 CB 0.833 7 residues pruned to eliminate duplicates Z: 24 12.800 1.748 0.477 0.449 0.826 0.696 CB 1.318 24 residues pruned to eliminate duplicates Z: 13 19.562 1.903 0.835 0.893 1.000 0.917 CA 1.161 13 residues pruned to eliminate duplicates Z: 29 21.510 1.849 0.832 0.540 0.893 0.536 CB 1.292 29 residues pruned to eliminate duplicates Z: 16 8.575 1.799 0.272 0.514 1.000 0.667 CB 0.955 16 residues pruned to eliminate duplicates Z: 78 37.174 1.896 0.584 0.617 0.935 0.649 CA 1.350 78 residues pruned to eliminate duplicates Z: 42 34.959 2.111 0.674 0.586 0.927 0.610 CB 1.535 42 residues pruned to eliminate duplicates Z: 8 12.438 1.720 0.678 0.819 1.000 0.429 CB 1.235 8 residues pruned to eliminate duplicates Z: 24 26.829 2.004 0.773 0.645 1.000 0.696 CB 1.375 25 residues pruned to eliminate duplicates Z: 10 10.002 1.693 0.507 0.652 0.889 0.556 CA 1.276 10 residues pruned to eliminate duplicates Z: 19 12.498 1.904 0.566 0.441 0.889 0.667 CB 1.181 29 residues pruned to eliminate duplicates Z: 12 14.711 1.951 0.182 0.898 1.000 0.909 CA 1.376 12 residues pruned to eliminate duplicates Z: 44 21.638 1.907 0.635 0.450 0.953 0.674 CB 1.169 44 residues pruned to eliminate duplicates Z: 34 26.494 1.984 0.693 0.482 0.970 0.515 CB 1.442 34 residues pruned to eliminate duplicates Z: 31 25.674 1.951 0.601 0.712 0.933 0.633 CB 1.326 31 residues pruned to eliminate duplicates Z: 6 7.177 1.710 1.307 0.406 0.800 0.600 CB 1.123 Z: 11 6.152 1.700 0.124 0.489 0.800 0.500 CB 1.286 Z: 23 31.858 1.974 0.715 0.889 1.000 0.682 CB 1.445 25 residues pruned to eliminate duplicates Z: 6 6.167 1.631 0.329 0.815 1.000 1.000 CB 0.967 Z: 52 30.833 1.911 0.661 0.596 0.922 0.569 CB 1.346 50 residues pruned to eliminate duplicates Z: 12 6.953 1.712 0.383 0.697 0.909 0.818 CB 0.814 11 residues pruned to eliminate duplicates Z: 38 23.082 1.896 0.758 0.574 0.865 0.595 CB 1.226 38 residues pruned to eliminate duplicates Z: 23 25.139 2.025 0.408 0.862 1.000 0.864 CA 1.380 23 residues pruned to eliminate duplicates Z: 11 13.758 1.835 1.048 0.594 0.800 0.600 CB 1.323 11 residues pruned to eliminate duplicates Z: 11 10.669 1.928 0.727 0.544 0.800 0.400 CB 1.213 11 residues pruned to eliminate duplicates Z: 7 3.257 1.483 0.003 0.285 1.000 0.667 N 1.138 Z: 7 6.334 1.927 0.629 0.492 0.833 0.500 CB 0.996 7 residues pruned to eliminate duplicates Z: 50 34.677 1.963 0.717 0.664 0.959 0.633 CB 1.317 50 residues pruned to eliminate duplicates Z: 15 13.826 1.742 0.635 0.781 0.857 0.857 CA 1.182 15 residues pruned to eliminate duplicates Z: 11 13.614 1.966 0.246 0.906 1.000 1.000 CB 1.249 11 residues pruned to eliminate duplicates Z: 14 10.582 1.571 0.451 0.760 0.923 0.769 CA 1.107 14 residues pruned to eliminate duplicates Z: 42 32.021 2.068 0.885 0.463 0.927 0.537 CB 1.438 43 residues pruned to eliminate duplicates Z: 34 29.935 1.969 0.703 0.690 0.970 0.606 CA 1.347 34 residues pruned to eliminate duplicates Z: 21 19.207 1.942 0.294 0.924 1.000 0.850 CA 1.200 21 residues pruned to eliminate duplicates Z: 13 17.315 1.774 0.715 0.912 0.917 0.750 CB 1.269 13 residues pruned to eliminate duplicates Z: 10 3.850 1.531 0.284 0.399 0.778 0.556 CB 0.934 Z: 6 2.616 1.231 0.675 0.467 0.600 0.400 C 0.978 Z: 41 20.271 1.944 0.660 0.423 0.925 0.500 CB 1.163 41 residues pruned to eliminate duplicates Z: 16 5.651 1.633 0.661 0.260 0.800 0.400 CB 0.885 Z: 11 9.942 1.612 0.736 0.699 0.900 0.600 CA 1.041 11 residues pruned to eliminate duplicates Z: 9 4.098 1.467 0.405 0.370 0.875 0.375 CA 0.923 Z: 8 5.907 1.611 0.401 0.398 0.857 0.571 CA 1.286 8 residues pruned to eliminate duplicates Z: 13 8.149 1.772 0.926 0.350 0.667 0.250 CB 1.216 13 residues pruned to eliminate duplicates Z: 10 11.021 1.762 0.762 0.506 0.778 0.667 CA 1.512 10 residues pruned to eliminate duplicates 6 1.701 1.364 0.391 0.134 0.800 0.400 CB 0.791 ? Z: 14 7.995 1.689 0.606 0.468 0.769 0.538 CB 1.098 14 residues pruned to eliminate duplicates Z: 11 11.285 1.628 0.446 0.773 1.000 0.800 N 1.191 11 residues pruned to eliminate duplicates 6 1.883 1.245 0.028 0.298 1.000 0.800 O 0.824 ? Z: 37 19.644 1.980 0.653 0.464 0.833 0.556 CB 1.245 37 residues pruned to eliminate duplicates Z: 47 21.260 1.891 0.571 0.455 0.870 0.478 CB 1.271 47 residues pruned to eliminate duplicates Z: 59 33.053 2.066 0.702 0.479 0.897 0.586 CA 1.407 60 residues pruned to eliminate duplicates Z: 7 4.213 1.785 0.856 0.873 1.000 1.000 CB 0.378 7 residues pruned to eliminate duplicates Z: 6 6.794 1.617 0.688 0.738 1.000 1.000 CB 0.899 Z: 11 12.999 1.709 0.570 0.828 0.900 0.800 CB 1.282 11 residues pruned to eliminate duplicates Z: 11 8.456 1.706 0.719 0.855 1.000 0.700 CB 0.673 11 residues pruned to eliminate duplicates Z: 9 10.729 1.851 0.557 0.625 0.875 0.625 CA 1.338 9 residues pruned to eliminate duplicates Z: 6 21.868 2.107 1.222 0.824 1.000 0.800 CB 1.578 6 residues pruned to eliminate duplicates Z: 23 26.325 2.018 0.551 0.845 0.955 0.773 CA 1.397 23 residues pruned to eliminate duplicates Z: 24 23.499 2.025 0.720 0.631 0.870 0.609 CA 1.430 24 residues pruned to eliminate duplicates Z: 45 25.734 1.947 0.794 0.521 0.909 0.545 CB 1.196 45 residues pruned to eliminate duplicates Z: 40 34.178 2.026 0.872 0.485 0.974 0.564 CB 1.504 40 residues pruned to eliminate duplicates Z: 31 19.482 1.828 0.612 0.545 0.900 0.633 CB 1.283 31 residues pruned to eliminate duplicates Z: 11 5.467 1.288 0.586 0.695 0.900 0.400 CB 0.787 6 1.820 1.473 -0.071 0.408 0.800 0.400 CB 0.818 ? 6 1.116 1.526 0.380 0.100 0.400 0.400 CB 0.987 ? Z: 12 16.565 1.881 0.467 0.895 1.000 0.909 CB 1.298 12 residues pruned to eliminate duplicates Z: 7 7.660 1.552 0.579 0.852 1.000 1.000 CB 0.944 6 residues pruned to eliminate duplicates Z: 21 24.374 1.944 0.361 0.932 1.000 0.900 CA 1.438 21 residues pruned to eliminate duplicates Z: 11 4.165 1.660 0.417 0.272 0.700 0.400 CB 1.035 Z: 6 4.467 1.606 1.165 0.268 0.800 0.400 CB 0.936 6 residues pruned to eliminate duplicates Z: 12 7.244 1.734 0.623 0.341 0.818 0.636 CB 1.128 12 residues pruned to eliminate duplicates Z: 6 3.650 1.286 0.601 0.590 0.800 0.800 CA 0.909 Z: 13 13.418 1.811 0.745 0.502 0.917 0.583 CB 1.335 13 residues pruned to eliminate duplicates Z: 6 5.855 1.719 0.596 0.730 1.000 0.800 CB 0.776 6 residues pruned to eliminate duplicates Z: 14 13.353 1.883 0.708 0.820 0.923 0.692 CB 0.945 14 residues pruned to eliminate duplicates Z: 78 28.061 1.875 0.399 0.552 0.909 0.558 CB 1.274 78 residues pruned to eliminate duplicates Z: 24 9.869 1.773 0.347 0.344 0.826 0.478 CB 1.236 24 residues pruned to eliminate duplicates Z: 6 3.082 1.179 0.651 0.444 1.000 0.800 C 0.750 Z: 25 13.422 1.810 0.703 0.452 0.875 0.542 CB 1.067 25 residues pruned to eliminate duplicates Z: 12 15.233 1.978 0.287 0.903 1.000 1.000 CA 1.286 12 residues pruned to eliminate duplicates Z: 6 4.806 1.697 0.124 0.796 1.000 0.800 CB 0.869 6 residues pruned to eliminate duplicates Z: 7 3.555 1.566 0.255 0.304 0.667 0.500 CA 1.379 Z: 40 29.855 1.975 0.824 0.491 0.949 0.513 CB 1.411 41 residues pruned to eliminate duplicates Z: 13 14.023 1.718 0.781 0.824 1.000 0.750 CB 0.999 13 residues pruned to eliminate duplicates Z: 43 25.639 1.908 0.577 0.541 0.929 0.595 CA 1.360 43 residues pruned to eliminate duplicates Z: 7 4.334 1.509 0.353 0.593 0.667 0.667 O 1.189 7 residues pruned to eliminate duplicates Z: 7 5.526 1.456 0.320 0.744 0.833 0.500 N 1.132 7 residues pruned to eliminate duplicates Z: 23 22.003 1.923 0.453 0.865 0.909 0.773 CA 1.353 23 residues pruned to eliminate duplicates Z: 9 2.795 1.692 0.057 0.272 0.875 0.625 CB 0.818 9 residues pruned to eliminate duplicates Z: 24 26.044 1.982 0.514 0.862 1.000 0.826 CA 1.328 24 residues pruned to eliminate duplicates Z: 6 2.786 1.544 -0.050 0.479 0.800 0.600 CB 1.084 Z: 39 18.582 1.845 0.620 0.436 0.868 0.500 CB 1.241 39 residues pruned to eliminate duplicates Z: 19 11.033 1.645 0.602 0.606 0.833 0.556 CB 1.071 19 residues pruned to eliminate duplicates Z: 8 5.121 1.629 0.746 0.244 0.714 0.571 CA 1.280 Z: 26 14.672 1.858 0.511 0.358 0.840 0.480 CA 1.450 26 residues pruned to eliminate duplicates Z: 19 13.479 1.895 0.931 0.344 0.833 0.333 CB 1.235 19 residues pruned to eliminate duplicates Z: 6 4.485 1.524 0.134 0.693 1.000 1.000 CA 0.972 Z: 32 23.121 1.854 0.691 0.648 0.935 0.742 CB 1.233 32 residues pruned to eliminate duplicates Z: 6 3.405 1.503 0.229 0.621 0.800 0.800 CB 0.920 6 residues pruned to eliminate duplicates Z: 7 4.782 1.579 0.204 0.489 0.833 0.500 O 1.245 8 residues pruned to eliminate duplicates Z: 18 8.548 1.686 0.558 0.449 0.824 0.529 CB 1.010 18 residues pruned to eliminate duplicates Z: 14 18.111 1.965 0.646 0.874 0.923 0.692 CB 1.225 14 residues pruned to eliminate duplicates Z: 23 26.621 1.989 0.610 0.850 0.955 0.818 CB 1.376 23 residues pruned to eliminate duplicates Z: 9 5.515 1.777 0.235 0.277 1.000 0.625 CB 1.143 9 residues pruned to eliminate duplicates 6 1.292 1.157 0.128 0.298 0.800 0.800 O 0.693 ? Z: 38 24.804 1.882 0.689 0.600 0.919 0.676 CB 1.269 38 residues pruned to eliminate duplicates Z: 26 23.438 2.025 0.813 0.660 0.800 0.760 CA 1.375 26 residues pruned to eliminate duplicates Z: 6 2.807 1.529 0.234 0.281 0.800 0.400 CB 1.065 6 residues pruned to eliminate duplicates Z: 8 9.756 1.734 0.496 0.837 1.000 0.571 CB 1.063 8 residues pruned to eliminate duplicates Z: 8 2.258 1.479 0.495 0.209 0.714 0.429 CB 0.762 Z: 9 4.490 1.447 0.620 0.257 0.750 0.500 N 1.193 Z: 6 3.568 1.474 0.031 0.547 1.000 0.600 C 1.003 Z: 8 4.581 1.655 0.575 0.388 0.571 0.571 N 1.309 8 residues pruned to eliminate duplicates Z: 6 6.849 1.516 0.530 0.520 1.000 0.600 O 1.294 Z: 21 16.829 1.929 0.635 0.432 0.950 0.500 CB 1.347 21 residues pruned to eliminate duplicates Z: 19 11.136 1.773 0.763 0.471 0.833 0.333 CB 1.038 19 residues pruned to eliminate duplicates Z: 19 13.682 1.903 0.528 0.540 0.889 0.500 CB 1.200 19 residues pruned to eliminate duplicates Z: 14 15.218 1.759 0.660 0.852 0.923 0.769 CA 1.158 14 residues pruned to eliminate duplicates Z: 19 14.649 2.064 0.602 0.443 0.833 0.389 CB 1.329 19 residues pruned to eliminate duplicates Z: 18 14.943 1.890 0.547 0.404 1.000 0.471 CB 1.371 19 residues pruned to eliminate duplicates 6 1.652 1.747 -0.035 0.437 0.800 0.600 CB 0.584 ? Z: 17 14.690 1.856 0.823 0.481 0.938 0.500 CB 1.180 17 residues pruned to eliminate duplicates Z: 26 23.356 1.939 0.709 0.607 0.880 0.680 CB 1.447 26 residues pruned to eliminate duplicates Z: 40 26.544 1.954 0.759 0.484 0.872 0.564 CA 1.442 39 residues pruned to eliminate duplicates Z: 13 20.372 1.777 0.714 0.917 1.000 0.667 CA 1.362 13 residues pruned to eliminate duplicates 9 1.178 1.357 0.366 0.319 0.625 0.375 CB 0.439 ? Z: 36 24.549 1.962 0.430 0.688 0.886 0.714 CA 1.406 36 residues pruned to eliminate duplicates Z: 7 5.415 1.702 0.773 0.628 1.000 0.500 CB 0.650 Z: 11 12.754 1.892 0.540 0.558 0.900 0.800 CB 1.453 Z: 6 5.494 1.722 0.484 0.609 0.800 0.600 CA 1.084 6 residues pruned to eliminate duplicates Z: 36 23.885 1.928 0.527 0.591 0.914 0.543 CA 1.376 36 residues pruned to eliminate duplicates Z: 23 25.795 1.926 0.623 0.860 1.000 0.818 CA 1.294 23 residues pruned to eliminate duplicates Z: 6 2.335 1.459 0.304 0.331 0.600 0.600 N 1.100 Z: 16 16.668 1.783 0.538 0.784 0.867 0.800 CB 1.411 16 residues pruned to eliminate duplicates Z: 17 18.046 1.874 0.597 0.646 0.938 0.750 CB 1.403 17 residues pruned to eliminate duplicates Z: 11 10.109 1.611 0.242 0.873 1.000 0.900 CB 1.165 11 residues pruned to eliminate duplicates Z: 21 17.393 1.911 0.155 0.885 0.900 0.700 CA 1.414 21 residues pruned to eliminate duplicates Z: 13 25.905 1.880 1.171 0.913 1.000 0.833 CA 1.297 13 residues pruned to eliminate duplicates Z: 8 6.512 1.713 0.366 0.480 0.857 0.714 CB 1.253 Z: 36 22.858 1.919 0.456 0.573 0.971 0.800 CB 1.327 36 residues pruned to eliminate duplicates Z: 9 2.785 1.332 0.436 0.310 0.625 0.250 CB 1.017 Z: 84 42.367 1.975 0.679 0.608 0.916 0.675 CB 1.383 89 residues pruned to eliminate duplicates Z: 7 5.673 1.743 0.312 0.866 1.000 0.833 CB 0.742 7 residues pruned to eliminate duplicates Z: 7 2.954 1.493 0.519 0.242 0.667 0.333 C 1.074 Z: 18 13.515 1.808 0.638 0.471 0.882 0.529 CB 1.292 18 residues pruned to eliminate duplicates Z: 36 20.242 1.912 0.390 0.569 0.943 0.686 CA 1.278 36 residues pruned to eliminate duplicates Z: 8 2.766 1.567 0.292 0.230 0.857 0.429 CB 0.825 Z: 34 12.661 1.664 0.489 0.461 0.879 0.455 CB 1.053 34 residues pruned to eliminate duplicates Z: 9 8.265 1.485 0.792 0.674 0.875 0.625 CA 1.069 9 residues pruned to eliminate duplicates Z: 13 23.331 1.894 0.990 0.900 1.000 1.000 CA 1.276 13 residues pruned to eliminate duplicates 9 1.422 1.524 0.081 0.314 0.750 0.500 CB 0.500 ? Z: 9 4.160 1.182 1.338 0.624 0.750 0.375 O 0.631 Z: 7 3.800 1.549 0.508 0.506 0.833 0.500 CB 0.792 Z: 18 12.360 1.698 0.551 0.458 0.882 0.471 CA 1.346 22 residues pruned to eliminate duplicates Z: 7 2.173 1.345 0.412 0.176 0.667 0.333 CA 1.035 Z: 22 13.934 1.842 0.675 0.433 0.905 0.429 CB 1.167 22 residues pruned to eliminate duplicates Z: 11 13.168 1.630 0.604 0.882 1.000 0.700 CB 1.153 11 residues pruned to eliminate duplicates Z: 30 20.003 1.937 0.609 0.554 0.931 0.655 CB 1.215 30 residues pruned to eliminate duplicates Z: 16 10.933 1.832 0.475 0.527 0.933 0.600 CB 1.090 16 residues pruned to eliminate duplicates Z: 29 13.011 1.701 0.475 0.470 0.893 0.571 CB 1.132 16 residues pruned to eliminate duplicates Z: 6 3.155 1.605 1.112 0.842 0.800 0.800 CB 0.388 Z: 9 3.297 1.874 0.247 0.268 0.625 0.375 CB 1.039 9 residues pruned to eliminate duplicates Z: 35 36.663 2.019 0.889 0.716 0.971 0.824 CB 1.397 35 residues pruned to eliminate duplicates Z: 12 11.951 1.867 0.337 0.630 0.909 0.909 CB 1.406 12 residues pruned to eliminate duplicates Z: 27 14.209 1.811 0.625 0.530 0.846 0.654 CB 1.086 29 residues pruned to eliminate duplicates Z: 10 5.772 1.660 0.621 0.377 0.778 0.556 CB 1.049 6 residues pruned to eliminate duplicates Z: 12 11.487 1.596 0.300 0.897 1.000 0.727 CA 1.195 12 residues pruned to eliminate duplicates Z: 9 5.733 1.651 0.880 0.767 0.875 0.625 CB 0.589 2 residues pruned to eliminate duplicates Z: 27 33.029 2.056 0.847 0.642 1.000 0.577 CB 1.493 27 residues pruned to eliminate duplicates Z: 13 28.874 1.948 1.272 0.905 1.000 0.667 CA 1.341 22 residues pruned to eliminate duplicates Z: 11 7.067 1.455 0.279 0.879 0.900 0.800 CB 0.967 11 residues pruned to eliminate duplicates Z: 10 17.600 1.909 0.686 0.704 1.000 0.778 CA 1.514 10 residues pruned to eliminate duplicates Z: 19 14.047 1.773 0.413 0.588 0.889 0.722 CA 1.367 19 residues pruned to eliminate duplicates Z: 56 26.183 1.890 0.582 0.546 0.891 0.618 CB 1.267 56 residues pruned to eliminate duplicates Z: 27 21.170 1.866 0.593 0.682 0.885 0.808 CA 1.335 27 residues pruned to eliminate duplicates Z: 7 2.026 1.422 0.894 0.483 0.833 0.500 CB 0.375 Z: 8 2.706 1.466 0.311 0.191 0.857 0.571 CA 0.899 Z: 24 33.956 2.029 0.928 0.853 1.000 0.696 CA 1.337 24 residues pruned to eliminate duplicates Z: 8 6.487 1.710 0.552 0.616 0.857 0.571 CB 0.966 8 residues pruned to eliminate duplicates Z: 6 3.997 1.118 0.774 0.656 1.000 0.600 CB 0.780 Z: 13 12.067 1.825 0.642 0.832 0.917 0.667 CB 0.952 13 residues pruned to eliminate duplicates Z: 6 3.999 1.423 0.426 0.498 1.000 0.400 CB 0.883 Z: 24 6.088 1.653 0.256 0.263 0.739 0.304 CB 1.084 26 residues pruned to eliminate duplicates Z: 12 24.912 2.176 0.826 0.889 0.909 0.909 CA 1.497 12 residues pruned to eliminate duplicates Z: 8 5.895 1.491 0.111 0.768 1.000 0.714 N 1.061 8 residues pruned to eliminate duplicates Z: 46 29.319 1.993 0.692 0.582 1.000 0.511 CB 1.198 46 residues pruned to eliminate duplicates Z: 9 9.886 1.865 0.573 0.605 1.000 0.750 CB 1.078 9 residues pruned to eliminate duplicates Z: 49 22.850 1.811 0.686 0.528 0.917 0.646 CB 1.146 54 residues pruned to eliminate duplicates Z: 7 5.832 1.721 0.560 0.472 0.833 0.667 CA 1.095 Z: 26 29.589 2.073 0.862 0.574 0.960 0.760 CB 1.487 26 residues pruned to eliminate duplicates Z: 45 26.465 1.922 0.831 0.500 0.886 0.523 CB 1.279 43 residues pruned to eliminate duplicates Z: 9 5.657 1.534 0.277 0.455 0.875 0.625 CA 1.221 Z: 27 20.158 1.922 0.642 0.566 0.885 0.654 CA 1.328 27 residues pruned to eliminate duplicates Z: 7 9.272 1.691 0.826 0.611 0.833 0.667 CB 1.324 7 residues pruned to eliminate duplicates Z: 7 2.329 1.362 0.275 0.380 0.667 0.667 CB 0.934 Z: 34 18.024 1.824 0.687 0.500 0.879 0.636 CB 1.161 34 residues pruned to eliminate duplicates Z: 13 11.495 1.579 0.530 0.868 1.000 0.917 CB 1.004 Z: 35 27.862 2.025 0.905 0.485 0.882 0.500 CB 1.426 35 residues pruned to eliminate duplicates Z: 11 26.418 2.030 1.319 0.929 1.000 0.900 CB 1.242 11 residues pruned to eliminate duplicates Z: 6 5.034 1.447 0.825 0.754 1.000 0.600 CB 0.680 Z: 6 5.013 1.526 0.137 0.795 1.000 0.800 CA 0.997 6 residues pruned to eliminate duplicates Z: 7 2.099 1.151 0.737 0.235 0.667 0.500 CA 0.875 Z: 10 15.229 1.733 1.003 0.912 1.000 0.778 CB 1.036 10 residues pruned to eliminate duplicates Z: 28 23.682 1.957 0.881 0.507 0.926 0.704 CA 1.328 28 residues pruned to eliminate duplicates Z: 13 13.750 1.839 0.340 0.772 1.000 0.833 CA 1.266 13 residues pruned to eliminate duplicates Z: 34 16.386 1.789 0.587 0.570 0.909 0.667 CB 1.032 28 residues pruned to eliminate duplicates Z: 13 6.854 1.600 0.401 0.477 0.833 0.500 CA 1.084 Z: 9 15.978 1.934 0.633 0.824 1.000 0.875 CA 1.351 9 residues pruned to eliminate duplicates Z: 44 18.560 1.888 0.584 0.310 0.884 0.395 CB 1.322 44 residues pruned to eliminate duplicates Z: 6 3.017 1.685 0.608 0.419 0.600 0.400 CB 0.903 Z: 6 6.474 1.387 0.854 0.576 1.000 0.400 C 1.047 6 residues pruned to eliminate duplicates Z: 6 3.494 1.623 0.358 0.605 0.800 0.600 N 0.802 Z: 17 9.811 1.662 0.389 0.578 0.938 0.750 CB 1.051 17 residues pruned to eliminate duplicates Z: 11 15.903 1.851 0.746 0.927 1.000 1.000 CB 1.090 11 residues pruned to eliminate duplicates Z: 13 5.817 1.481 0.765 0.364 0.833 0.333 CB 0.892 13 residues pruned to eliminate duplicates Z: 9 4.589 1.511 0.510 0.451 0.750 0.375 C 0.997 Z: 11 13.358 1.592 0.762 0.871 0.900 0.900 CA 1.221 12 residues pruned to eliminate duplicates Z: 108 48.636 1.993 0.723 0.543 0.907 0.607 CB 1.449 108 residues pruned to eliminate duplicates Z: 10 2.650 1.594 0.017 0.388 0.889 0.444 CB 0.690 10 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 7 4.953 1.599 0.395 0.328 1.000 0.333 CA 1.095 7 residues pruned to eliminate duplicates Z: 14 10.888 1.652 0.763 0.559 0.923 0.615 CB 1.061 Z: 11 6.475 1.711 0.422 0.711 0.800 0.700 CB 0.868 11 residues pruned to eliminate duplicates Z: 25 14.622 1.846 0.641 0.498 0.917 0.625 CB 1.077 25 residues pruned to eliminate duplicates Z: 11 16.300 1.918 1.161 0.412 1.000 0.900 CA 1.363 11 residues pruned to eliminate duplicates Z: 11 11.135 1.935 0.739 0.378 0.900 0.700 CA 1.324 11 residues pruned to eliminate duplicates Z: 13 14.827 1.827 0.874 0.421 0.917 0.750 CB 1.480 13 residues pruned to eliminate duplicates Z: 14 10.531 1.851 0.694 0.345 0.769 0.615 CB 1.433 14 residues pruned to eliminate duplicates Z: 24 12.192 1.819 0.774 0.511 0.826 0.565 CB 0.944 24 residues pruned to eliminate duplicates Z: 11 12.528 1.901 0.845 0.404 1.000 0.900 CB 1.249 11 residues pruned to eliminate duplicates Z: 8 5.764 1.812 0.252 0.407 0.857 0.286 CB 1.235 8 residues pruned to eliminate duplicates Z: 35 12.978 1.747 0.527 0.418 0.853 0.529 CB 1.066 35 residues pruned to eliminate duplicates Z: 8 7.136 1.887 0.532 0.438 0.857 0.571 CB 1.161 8 residues pruned to eliminate duplicates Z: 8 8.224 1.895 0.556 0.503 0.857 0.429 CB 1.226 10 residues pruned to eliminate duplicates Z: 15 11.993 1.732 0.618 0.581 0.929 0.429 CB 1.139 15 residues pruned to eliminate duplicates Z: 39 15.737 1.878 0.515 0.405 0.895 0.500 CB 1.108 39 residues pruned to eliminate duplicates Z: 12 11.280 1.677 0.658 0.503 0.909 0.455 CA 1.341 12 residues pruned to eliminate duplicates Z: 15 11.800 1.825 0.458 0.506 1.000 0.286 CB 1.178 15 residues pruned to eliminate duplicates Z: 16 10.847 1.733 0.552 0.472 0.933 0.467 CB 1.148 16 residues pruned to eliminate duplicates Z: 40 18.350 1.864 0.527 0.445 0.923 0.564 CB 1.184 39 residues pruned to eliminate duplicates Z: 13 10.829 1.857 0.423 0.582 0.917 0.583 CB 1.193 13 residues pruned to eliminate duplicates Z: 28 13.150 1.875 0.432 0.331 0.889 0.407 CB 1.276 28 residues pruned to eliminate duplicates Z: 38 16.968 1.913 0.468 0.409 0.946 0.649 CB 1.155 38 residues pruned to eliminate duplicates Z: 41 17.539 1.826 0.589 0.378 0.950 0.500 CB 1.146 40 residues pruned to eliminate duplicates Z: 6 6.812 1.506 0.807 0.388 1.000 0.800 CA 1.261 6 residues pruned to eliminate duplicates Z: 37 18.018 1.917 0.642 0.421 0.889 0.528 CB 1.165 37 residues pruned to eliminate duplicates Z: 39 18.242 1.889 0.475 0.445 0.947 0.579 CB 1.186 41 residues pruned to eliminate duplicates Z: 7 5.257 1.495 0.638 0.468 1.000 0.833 CB 0.905 7 residues pruned to eliminate duplicates Z: 41 17.288 1.833 0.509 0.425 0.925 0.525 CB 1.154 41 residues pruned to eliminate duplicates Z: 39 17.696 1.889 0.590 0.423 0.895 0.553 CB 1.157 39 residues pruned to eliminate duplicates Z: 31 15.684 1.882 0.525 0.484 0.900 0.633 CB 1.127 31 residues pruned to eliminate duplicates Z: 16 11.636 1.817 0.528 0.590 1.000 0.667 CB 0.993 16 residues pruned to eliminate duplicates Z: 38 17.268 1.890 0.563 0.384 0.919 0.568 CB 1.182 38 residues pruned to eliminate duplicates Z: 40 17.110 1.861 0.523 0.399 0.949 0.513 CB 1.133 39 residues pruned to eliminate duplicates Z: 7 5.659 1.567 0.393 0.779 0.833 0.333 CA 0.993 7 residues pruned to eliminate duplicates Z: 24 15.470 1.911 0.631 0.469 0.913 0.652 CB 1.170 24 residues pruned to eliminate duplicates Z: 9 8.401 1.501 0.592 0.851 1.000 0.375 CA 0.920 9 residues pruned to eliminate duplicates Z: 23 14.609 1.898 0.595 0.480 0.909 0.682 CB 1.155 24 residues pruned to eliminate duplicates Z: 9 7.129 1.498 0.921 0.775 0.750 0.500 CA 0.916 9 residues pruned to eliminate duplicates Z: 40 17.667 1.860 0.572 0.426 0.923 0.564 CB 1.132 39 residues pruned to eliminate duplicates Z: 12 7.886 1.566 0.776 0.519 1.000 0.545 CB 0.839 12 residues pruned to eliminate duplicates Z: 39 19.522 1.908 0.604 0.425 0.947 0.500 CB 1.181 39 residues pruned to eliminate duplicates Z: 8 11.119 1.741 0.523 0.714 1.000 0.571 CB 1.305 8 residues pruned to eliminate duplicates Z: 20 16.881 1.945 0.900 0.353 0.895 0.579 CA 1.373 20 residues pruned to eliminate duplicates Z: 12 9.320 1.875 0.645 0.300 0.909 0.455 CA 1.253 12 residues pruned to eliminate duplicates Z: 42 32.795 2.003 0.767 0.507 0.976 0.610 CB 1.474 42 residues pruned to eliminate duplicates Z: 20 18.889 1.949 0.751 0.346 0.947 0.421 CA 1.585 20 residues pruned to eliminate duplicates Z: 22 12.129 1.776 0.654 0.307 0.857 0.381 CB 1.302 22 residues pruned to eliminate duplicates Z: 42 33.716 2.039 0.780 0.495 0.951 0.561 CB 1.533 42 residues pruned to eliminate duplicates Z: 22 14.207 1.943 0.601 0.269 0.857 0.429 CB 1.512 22 residues pruned to eliminate duplicates Z: 40 30.778 1.999 0.766 0.540 0.897 0.667 CB 1.496 47 residues pruned to eliminate duplicates Z: 6 4.368 1.420 0.476 0.344 1.000 0.400 O 1.104 6 residues pruned to eliminate duplicates Z: 41 31.579 2.027 0.731 0.477 0.950 0.500 CB 1.532 41 residues pruned to eliminate duplicates Z: 40 32.438 2.059 0.710 0.490 0.974 0.564 CB 1.530 40 residues pruned to eliminate duplicates Z: 41 29.753 2.013 0.673 0.473 0.975 0.600 CB 1.473 41 residues pruned to eliminate duplicates Z: 40 29.870 2.023 0.712 0.471 0.974 0.538 CB 1.460 40 residues pruned to eliminate duplicates Z: 42 31.218 1.963 0.752 0.504 0.976 0.634 CA 1.447 42 residues pruned to eliminate duplicates Z: 42 29.439 2.001 0.722 0.463 0.951 0.610 CB 1.457 42 residues pruned to eliminate duplicates Z: 41 33.431 2.044 0.776 0.518 0.950 0.600 CB 1.505 41 residues pruned to eliminate duplicates Z: 41 30.878 2.016 0.803 0.474 0.950 0.525 CB 1.452 41 residues pruned to eliminate duplicates Z: 40 34.868 2.047 0.889 0.512 0.974 0.564 CB 1.465 40 residues pruned to eliminate duplicates Z: 41 32.974 2.057 0.775 0.485 0.975 0.475 CB 1.487 41 residues pruned to eliminate duplicates Z: 33 25.062 1.947 0.791 0.496 0.938 0.500 CB 1.362 33 residues pruned to eliminate duplicates Z: 44 31.851 2.002 0.909 0.430 0.930 0.465 CB 1.469 44 residues pruned to eliminate duplicates Z: 41 31.913 2.016 0.786 0.491 0.975 0.550 CB 1.451 41 residues pruned to eliminate duplicates Z: 45 29.092 1.946 0.755 0.438 0.955 0.386 CB 1.434 45 residues pruned to eliminate duplicates Z: 41 30.968 2.002 0.785 0.487 0.950 0.500 CB 1.462 41 residues pruned to eliminate duplicates Z: 6 3.591 1.541 0.254 0.189 1.000 0.200 CA 1.206 6 residues pruned to eliminate duplicates Z: 40 31.996 2.031 0.859 0.458 0.974 0.513 CB 1.454 40 residues pruned to eliminate duplicates Z: 41 33.802 2.026 0.878 0.500 0.975 0.625 CB 1.441 41 residues pruned to eliminate duplicates Z: 6 4.178 1.352 1.109 0.466 1.000 1.000 CA 0.678 6 residues pruned to eliminate duplicates Z: 15 10.040 1.721 0.531 0.427 0.929 0.714 CB 1.183 15 residues pruned to eliminate duplicates Z: 42 29.025 1.951 0.788 0.455 0.951 0.439 CB 1.431 42 residues pruned to eliminate duplicates Z: 41 28.848 2.003 0.798 0.444 0.900 0.500 CB 1.491 41 residues pruned to eliminate duplicates Z: 39 33.865 2.044 0.857 0.480 0.974 0.500 CB 1.517 40 residues pruned to eliminate duplicates Z: 6 10.905 1.942 0.543 0.875 1.000 1.000 CB 1.184 6 residues pruned to eliminate duplicates Z: 40 19.030 1.916 0.632 0.444 0.897 0.590 CB 1.150 40 residues pruned to eliminate duplicates Z: 26 13.567 1.896 0.505 0.413 0.880 0.600 CB 1.183 26 residues pruned to eliminate duplicates Z: 32 18.251 1.922 0.517 0.439 0.871 0.484 CB 1.375 32 residues pruned to eliminate duplicates Z: 21 18.340 1.917 0.593 0.478 0.950 0.650 CB 1.446 21 residues pruned to eliminate duplicates Z: 20 19.152 2.032 0.612 0.517 0.947 0.474 CA 1.392 22 residues pruned to eliminate duplicates Z: 11 12.403 1.726 0.510 0.774 1.000 0.500 CA 1.181 11 residues pruned to eliminate duplicates Z: 27 18.081 1.961 0.593 0.434 0.923 0.615 CB 1.317 27 residues pruned to eliminate duplicates Z: 25 18.062 2.041 0.520 0.405 0.917 0.708 CB 1.432 25 residues pruned to eliminate duplicates Z: 22 16.558 1.877 0.684 0.504 0.905 0.571 CB 1.259 22 residues pruned to eliminate duplicates Z: 36 20.674 1.918 0.701 0.456 0.857 0.543 CB 1.308 36 residues pruned to eliminate duplicates Z: 19 22.068 2.112 0.759 0.486 0.944 0.722 CB 1.504 19 residues pruned to eliminate duplicates Z: 37 22.396 1.997 0.590 0.479 0.917 0.556 CB 1.309 37 residues pruned to eliminate duplicates Z: 6 8.649 1.647 0.983 0.441 1.000 0.800 CA 1.258 6 residues pruned to eliminate duplicates Z: 21 14.364 1.997 0.368 0.436 0.900 0.650 CB 1.396 21 residues pruned to eliminate duplicates Z: 31 22.067 1.946 0.688 0.470 0.933 0.600 CB 1.355 31 residues pruned to eliminate duplicates Z: 37 24.084 1.975 0.778 0.426 0.944 0.500 CB 1.306 37 residues pruned to eliminate duplicates Z: 6 2.770 1.399 0.825 0.338 0.800 0.200 N 0.723 6 residues pruned to eliminate duplicates Z: 30 22.257 2.001 0.806 0.424 0.897 0.448 CB 1.381 30 residues pruned to eliminate duplicates Z: 7 4.736 1.490 0.680 0.334 1.000 0.667 CB 0.926 7 residues pruned to eliminate duplicates Z: 34 16.380 1.836 0.590 0.467 0.848 0.424 CB 1.191 34 residues pruned to eliminate duplicates Z: 37 20.150 1.919 0.626 0.467 0.917 0.500 CB 1.214 37 residues pruned to eliminate duplicates Z: 32 24.474 1.970 0.878 0.475 0.968 0.548 CB 1.260 32 residues pruned to eliminate duplicates Z: 19 13.033 1.869 0.674 0.433 0.944 0.389 CB 1.114 19 residues pruned to eliminate duplicates Z: 6 4.886 1.742 0.637 0.690 1.000 0.200 CB 0.644 6 residues pruned to eliminate duplicates Z: 37 24.214 1.979 0.761 0.451 0.944 0.528 CB 1.289 37 residues pruned to eliminate duplicates Z: 11 6.682 1.623 0.426 0.523 0.900 0.700 CB 0.992 11 residues pruned to eliminate duplicates Z: 17 7.653 1.818 0.413 0.364 0.812 0.250 CB 1.060 17 residues pruned to eliminate duplicates Z: 16 9.122 1.739 0.472 0.464 0.867 0.400 CB 1.101 16 residues pruned to eliminate duplicates Z: 8 3.475 1.709 0.496 0.431 0.714 0.429 CB 0.773 12 residues pruned to eliminate duplicates Z: 6 5.760 1.537 0.361 0.444 1.000 0.600 CA 1.304 7 residues pruned to eliminate duplicates Z: 17 27.387 1.927 1.123 0.731 0.938 0.812 CA 1.450 17 residues pruned to eliminate duplicates Z: 34 23.285 1.964 0.802 0.489 0.879 0.364 CB 1.318 34 residues pruned to eliminate duplicates Z: 42 23.310 1.942 0.732 0.492 0.927 0.415 CB 1.177 42 residues pruned to eliminate duplicates Z: 24 26.730 1.985 1.051 0.617 0.913 0.522 CB 1.343 24 residues pruned to eliminate duplicates Z: 42 28.870 1.947 0.893 0.483 0.976 0.512 CB 1.275 42 residues pruned to eliminate duplicates Z: 27 25.998 1.995 0.878 0.533 0.962 0.500 CB 1.370 27 residues pruned to eliminate duplicates Z: 27 29.178 1.985 0.995 0.570 0.962 0.731 CB 1.404 27 residues pruned to eliminate duplicates Z: 40 28.275 1.962 0.789 0.529 0.949 0.513 CB 1.321 40 residues pruned to eliminate duplicates Z: 42 25.914 1.953 0.865 0.485 0.878 0.415 CB 1.284 42 residues pruned to eliminate duplicates Z: 39 28.678 1.964 0.901 0.550 0.868 0.553 CB 1.367 39 residues pruned to eliminate duplicates Z: 13 11.722 1.609 0.637 0.756 1.000 0.667 CA 1.023 11 residues pruned to eliminate duplicates Z: 11 10.716 1.566 0.671 0.796 1.000 0.800 CA 0.999 11 residues pruned to eliminate duplicates Z: 15 11.537 1.624 0.662 0.648 1.000 0.714 CB 0.995 12 residues pruned to eliminate duplicates Z: 11 11.805 1.532 0.967 0.881 1.000 0.700 CA 0.897 12 residues pruned to eliminate duplicates Z: 9 8.984 1.628 0.564 0.879 0.875 0.875 CA 1.034 9 residues pruned to eliminate duplicates Z: 12 12.512 1.581 0.862 0.731 1.000 0.636 CA 1.041 12 residues pruned to eliminate duplicates Z: 13 11.778 1.661 0.666 0.715 1.000 0.833 CA 1.011 13 residues pruned to eliminate duplicates Z: 12 11.876 1.576 0.699 0.757 1.000 0.727 CA 1.064 11 residues pruned to eliminate duplicates Z: 9 10.779 1.651 0.520 0.885 1.000 1.000 CB 1.096 9 residues pruned to eliminate duplicates Z: 15 10.609 1.562 0.522 0.672 1.000 0.500 CA 1.017 15 residues pruned to eliminate duplicates Z: 10 11.991 1.635 0.799 0.835 1.000 0.556 CA 1.018 10 residues pruned to eliminate duplicates Z: 15 8.113 1.827 0.604 0.328 0.857 0.571 CB 1.042 15 residues pruned to eliminate duplicates Z: 53 19.377 1.953 0.592 0.466 0.788 0.423 CB 1.134 53 residues pruned to eliminate duplicates Z: 14 8.872 1.902 0.575 0.444 0.923 0.538 CB 0.943 14 residues pruned to eliminate duplicates Z: 50 21.169 1.950 0.635 0.433 0.796 0.571 CB 1.277 50 residues pruned to eliminate duplicates Z: 42 26.841 1.991 0.890 0.476 0.927 0.683 CB 1.232 42 residues pruned to eliminate duplicates Z: 39 23.489 1.960 0.698 0.495 0.895 0.658 CB 1.286 39 residues pruned to eliminate duplicates Z: 44 25.503 1.988 0.819 0.509 0.884 0.581 CB 1.205 44 residues pruned to eliminate duplicates Z: 48 23.912 1.939 0.784 0.477 0.830 0.468 CB 1.244 48 residues pruned to eliminate duplicates Z: 38 19.421 1.999 0.517 0.496 0.838 0.541 CB 1.262 38 residues pruned to eliminate duplicates Z: 41 23.358 1.946 0.638 0.465 0.925 0.550 CB 1.298 39 residues pruned to eliminate duplicates Z: 7 8.753 1.820 1.157 0.456 0.833 0.167 CA 1.142 7 residues pruned to eliminate duplicates Z: 39 24.543 2.034 0.616 0.514 0.921 0.553 CB 1.297 39 residues pruned to eliminate duplicates Z: 16 10.992 1.936 0.626 0.377 0.800 0.400 CA 1.284 16 residues pruned to eliminate duplicates Z: 42 23.907 1.991 0.716 0.523 0.878 0.488 CB 1.217 42 residues pruned to eliminate duplicates Z: 44 22.917 1.969 0.706 0.498 0.791 0.465 CB 1.319 44 residues pruned to eliminate duplicates Z: 22 11.736 1.868 0.578 0.392 0.905 0.524 CA 1.076 22 residues pruned to eliminate duplicates Z: 42 26.883 1.989 0.792 0.527 0.951 0.463 CB 1.205 42 residues pruned to eliminate duplicates Z: 24 16.842 1.901 0.924 0.500 0.783 0.478 CB 1.227 24 residues pruned to eliminate duplicates Z: 38 27.339 2.020 0.821 0.511 0.919 0.514 CB 1.316 38 residues pruned to eliminate duplicates Z: 45 27.066 1.973 0.778 0.514 0.909 0.591 CB 1.263 49 residues pruned to eliminate duplicates Z: 12 18.698 2.038 0.823 0.886 1.000 0.636 CB 1.095 12 residues pruned to eliminate duplicates Z: 27 20.910 2.015 0.794 0.617 0.923 0.577 CB 1.100 27 residues pruned to eliminate duplicates Z: 41 24.365 1.988 0.771 0.501 0.850 0.600 CB 1.286 41 residues pruned to eliminate duplicates Z: 40 23.262 1.995 0.632 0.495 0.897 0.538 CB 1.281 40 residues pruned to eliminate duplicates Z: 42 23.389 1.998 0.686 0.483 0.878 0.415 CB 1.256 42 residues pruned to eliminate duplicates Z: 45 23.522 1.933 0.593 0.499 0.909 0.455 CB 1.268 45 residues pruned to eliminate duplicates Z: 46 19.492 1.909 0.684 0.497 0.800 0.556 CB 1.133 46 residues pruned to eliminate duplicates Z: 41 24.868 2.005 0.730 0.509 0.875 0.600 CB 1.284 41 residues pruned to eliminate duplicates Z: 39 26.873 1.995 0.768 0.511 0.921 0.579 CB 1.327 39 residues pruned to eliminate duplicates Z: 42 23.294 2.007 0.666 0.482 0.878 0.585 CB 1.261 42 residues pruned to eliminate duplicates Z: 49 23.966 1.920 0.679 0.471 0.896 0.438 CB 1.234 49 residues pruned to eliminate duplicates Z: 44 21.502 1.909 0.747 0.461 0.884 0.512 CB 1.157 44 residues pruned to eliminate duplicates Z: 39 26.697 2.040 0.798 0.515 0.842 0.553 CB 1.381 39 residues pruned to eliminate duplicates Z: 23 12.429 1.843 0.485 0.442 0.818 0.500 CB 1.256 23 residues pruned to eliminate duplicates Z: 11 9.594 1.782 0.930 0.345 0.800 0.400 CB 1.304 11 residues pruned to eliminate duplicates Z: 16 11.225 1.846 0.766 0.374 0.733 0.467 CB 1.387 16 residues pruned to eliminate duplicates Z: 17 11.777 1.837 0.634 0.408 0.812 0.500 CB 1.329 17 residues pruned to eliminate duplicates Z: 18 9.167 1.696 0.735 0.370 0.765 0.529 CB 1.136 18 residues pruned to eliminate duplicates Z: 81 26.241 1.903 0.434 0.496 0.863 0.613 CB 1.252 81 residues pruned to eliminate duplicates Z: 43 27.810 1.919 0.729 0.468 0.929 0.452 CA 1.439 43 residues pruned to eliminate duplicates Z: 40 22.016 1.940 0.666 0.400 0.897 0.436 CB 1.350 40 residues pruned to eliminate duplicates Z: 17 12.458 1.871 0.792 0.344 0.750 0.438 CB 1.468 17 residues pruned to eliminate duplicates Z: 18 12.577 1.875 0.567 0.447 0.824 0.529 CB 1.332 18 residues pruned to eliminate duplicates Z: 17 9.830 1.902 0.447 0.341 0.812 0.438 CB 1.307 17 residues pruned to eliminate duplicates Z: 8 2.858 1.477 0.449 0.391 0.571 0.429 CB 0.990 8 residues pruned to eliminate duplicates Z: 46 19.634 1.855 0.656 0.470 0.867 0.556 CB 1.134 46 residues pruned to eliminate duplicates Z: 12 7.952 1.642 0.561 0.676 0.818 0.455 CB 0.972 10 residues pruned to eliminate duplicates Z: 8 12.667 1.739 0.538 0.880 1.000 0.714 CA 1.297 8 residues pruned to eliminate duplicates Z: 30 16.612 1.837 0.396 0.544 0.931 0.586 CB 1.237 30 residues pruned to eliminate duplicates Z: 56 27.127 1.933 0.535 0.620 0.891 0.600 CB 1.235 56 residues pruned to eliminate duplicates Z: 29 14.875 1.747 0.590 0.491 0.857 0.500 CB 1.192 40 residues pruned to eliminate duplicates Z: 6 4.822 1.516 0.793 0.302 1.000 0.400 CA 0.989 6 residues pruned to eliminate duplicates Z: 99 33.653 1.899 0.546 0.578 0.878 0.602 CB 1.224 99 residues pruned to eliminate duplicates Z: 45 25.168 1.991 0.384 0.665 0.909 0.727 CB 1.301 45 residues pruned to eliminate duplicates Z: 35 20.959 1.991 0.424 0.622 0.853 0.647 CB 1.325 35 residues pruned to eliminate duplicates Z: 27 12.507 1.856 0.329 0.501 0.846 0.462 CB 1.175 27 residues pruned to eliminate duplicates Z: 33 22.571 1.950 0.441 0.650 0.906 0.688 CB 1.363 33 residues pruned to eliminate duplicates Z: 43 28.140 1.956 0.570 0.656 0.929 0.738 CB 1.317 43 residues pruned to eliminate duplicates Z: 32 25.838 1.987 0.622 0.661 0.968 0.677 CB 1.282 32 residues pruned to eliminate duplicates Z: 32 27.032 2.045 0.576 0.660 0.968 0.677 CB 1.342 32 residues pruned to eliminate duplicates Z: 33 30.682 2.065 0.580 0.734 1.000 0.844 CB 1.347 33 residues pruned to eliminate duplicates Z: 98 36.345 1.913 0.660 0.590 0.918 0.649 CB 1.161 98 residues pruned to eliminate duplicates Z: 29 26.676 2.039 0.643 0.703 0.964 0.643 CB 1.298 29 residues pruned to eliminate duplicates Z: 32 24.440 2.041 0.610 0.655 0.935 0.677 CB 1.237 32 residues pruned to eliminate duplicates Z: 32 29.070 2.032 0.708 0.673 0.968 0.677 CB 1.325 32 residues pruned to eliminate duplicates Z: 30 28.526 2.070 0.560 0.716 0.966 0.759 CB 1.397 30 residues pruned to eliminate duplicates Z: 28 32.285 2.111 0.835 0.737 0.926 0.741 CB 1.401 28 residues pruned to eliminate duplicates Z: 32 28.224 2.062 0.737 0.671 0.968 0.645 CB 1.249 32 residues pruned to eliminate duplicates Z: 32 26.705 2.063 0.678 0.671 0.935 0.710 CB 1.265 32 residues pruned to eliminate duplicates Z: 28 30.833 2.085 0.824 0.737 0.926 0.704 CB 1.363 28 residues pruned to eliminate duplicates Z: 94 37.213 1.931 0.681 0.592 0.925 0.634 CB 1.177 94 residues pruned to eliminate duplicates Z: 33 27.815 2.010 0.823 0.638 0.938 0.781 CB 1.258 33 residues pruned to eliminate duplicates Z: 75 40.094 2.007 0.762 0.594 0.932 0.662 CB 1.292 75 residues pruned to eliminate duplicates Z: 34 32.662 2.062 0.721 0.679 1.000 0.636 CB 1.360 34 residues pruned to eliminate duplicates Z: 78 39.465 1.995 0.691 0.643 0.922 0.662 CB 1.265 78 residues pruned to eliminate duplicates Z: 46 30.532 1.984 0.693 0.657 0.933 0.667 CB 1.255 46 residues pruned to eliminate duplicates Z: 82 37.757 2.007 0.578 0.614 0.963 0.630 CB 1.235 83 residues pruned to eliminate duplicates Z: 6 3.372 1.352 0.903 0.343 1.000 0.600 CA 0.696 6 residues pruned to eliminate duplicates Z: 45 29.883 2.011 0.668 0.652 0.932 0.614 CB 1.251 45 residues pruned to eliminate duplicates Z: 46 20.921 1.902 0.454 0.568 0.844 0.667 CB 1.250 46 residues pruned to eliminate duplicates Z: 79 40.553 2.019 0.662 0.604 0.962 0.731 CB 1.289 79 residues pruned to eliminate duplicates Z: 45 27.204 1.925 0.669 0.607 0.955 0.636 CB 1.207 44 residues pruned to eliminate duplicates Z: 6 4.918 1.526 0.362 0.562 1.000 0.600 N 0.996 6 residues pruned to eliminate duplicates Z: 42 26.493 1.966 0.614 0.570 0.951 0.683 CB 1.282 42 residues pruned to eliminate duplicates Z: 41 27.339 1.998 0.729 0.579 0.925 0.650 CB 1.254 41 residues pruned to eliminate duplicates Z: 41 27.099 1.985 0.595 0.579 0.975 0.675 CB 1.287 41 residues pruned to eliminate duplicates Z: 45 25.057 1.941 0.502 0.592 0.955 0.727 CB 1.244 45 residues pruned to eliminate duplicates Z: 40 26.385 2.001 0.656 0.554 0.923 0.667 CB 1.311 40 residues pruned to eliminate duplicates Z: 81 36.247 1.995 0.583 0.585 0.887 0.613 CB 1.332 81 residues pruned to eliminate duplicates Z: 43 25.970 1.970 0.660 0.589 0.905 0.738 CB 1.243 43 residues pruned to eliminate duplicates Z: 43 25.015 1.954 0.576 0.580 0.929 0.762 CB 1.250 43 residues pruned to eliminate duplicates Z: 37 29.070 1.984 0.799 0.593 0.944 0.639 CB 1.315 37 residues pruned to eliminate duplicates Z: 41 28.425 2.010 0.772 0.580 0.900 0.800 CB 1.297 41 residues pruned to eliminate duplicates Z: 76 37.072 2.008 0.660 0.594 0.933 0.680 CB 1.257 76 residues pruned to eliminate duplicates Z: 38 25.589 1.994 0.673 0.555 0.919 0.595 CB 1.301 39 residues pruned to eliminate duplicates Z: 8 7.040 1.708 0.441 0.412 1.000 0.429 CB 1.185 8 residues pruned to eliminate duplicates Z: 45 23.165 1.938 0.612 0.546 0.886 0.659 CB 1.206 45 residues pruned to eliminate duplicates Z: 40 22.965 1.920 0.632 0.501 0.949 0.718 CB 1.236 40 residues pruned to eliminate duplicates Z: 36 26.295 2.008 0.651 0.570 0.943 0.686 CB 1.329 36 residues pruned to eliminate duplicates Z: 44 26.317 1.961 0.683 0.509 0.953 0.651 CB 1.264 44 residues pruned to eliminate duplicates Z: 34 24.929 1.991 0.628 0.513 1.000 0.667 CA 1.321 34 residues pruned to eliminate duplicates Z: 43 26.873 1.981 0.745 0.543 0.929 0.667 CB 1.238 42 residues pruned to eliminate duplicates Z: 13 18.392 1.954 0.539 0.814 0.917 0.667 CB 1.466 13 residues pruned to eliminate duplicates Z: 43 22.437 1.968 0.552 0.512 0.857 0.500 CB 1.307 43 residues pruned to eliminate duplicates Z: 43 26.705 1.966 0.752 0.551 0.952 0.667 CB 1.196 43 residues pruned to eliminate duplicates Z: 44 21.923 1.931 0.691 0.562 0.860 0.558 CB 1.121 44 residues pruned to eliminate duplicates Z: 28 24.269 1.950 0.899 0.532 0.889 0.556 CB 1.375 28 residues pruned to eliminate duplicates Z: 38 26.574 1.966 0.761 0.568 0.946 0.622 CB 1.250 38 residues pruned to eliminate duplicates Z: 42 24.684 1.964 0.768 0.512 0.927 0.561 CB 1.184 42 residues pruned to eliminate duplicates Z: 30 24.415 2.003 0.759 0.533 0.862 0.552 CB 1.445 30 residues pruned to eliminate duplicates Z: 35 24.621 2.004 0.780 0.528 0.853 0.618 CB 1.350 35 residues pruned to eliminate duplicates Z: 44 18.210 1.875 0.561 0.459 0.884 0.488 CB 1.120 44 residues pruned to eliminate duplicates Z: 41 20.121 1.895 0.618 0.489 0.875 0.625 CB 1.199 41 residues pruned to eliminate duplicates Z: 39 22.195 1.905 0.573 0.459 0.921 0.579 CB 1.360 39 residues pruned to eliminate duplicates Z: 41 23.748 1.957 0.717 0.434 0.925 0.575 CB 1.294 48 residues pruned to eliminate duplicates Z: 15 16.256 1.853 0.627 0.632 0.929 0.643 CB 1.371 15 residues pruned to eliminate duplicates Z: 37 23.768 1.939 0.570 0.497 0.944 0.667 CB 1.381 37 residues pruned to eliminate duplicates Z: 42 20.967 1.917 0.551 0.426 0.902 0.610 CB 1.318 42 residues pruned to eliminate duplicates Z: 36 20.783 1.976 0.508 0.464 0.914 0.686 CB 1.337 36 residues pruned to eliminate duplicates Z: 37 23.105 1.952 0.573 0.443 0.972 0.639 CB 1.368 37 residues pruned to eliminate duplicates Z: 42 18.568 1.889 0.558 0.397 0.902 0.659 CB 1.217 41 residues pruned to eliminate duplicates Z: 6 8.309 1.795 0.608 0.564 1.000 0.000 CA 1.210 6 residues pruned to eliminate duplicates Z: 39 23.011 1.855 0.632 0.472 0.947 0.579 CB 1.339 39 residues pruned to eliminate duplicates Z: 41 23.074 1.970 0.711 0.447 0.900 0.625 CB 1.270 42 residues pruned to eliminate duplicates Z: 6 4.744 1.628 0.584 0.405 1.000 0.600 CA 0.909 6 residues pruned to eliminate duplicates Z: 33 18.286 1.859 0.549 0.436 0.875 0.594 CB 1.371 33 residues pruned to eliminate duplicates Z: 37 23.665 1.967 0.662 0.471 0.944 0.694 CB 1.316 37 residues pruned to eliminate duplicates Z: 37 22.794 1.944 0.691 0.472 0.861 0.556 CB 1.381 37 residues pruned to eliminate duplicates Z: 40 20.547 1.874 0.534 0.471 0.872 0.564 CB 1.351 40 residues pruned to eliminate duplicates Z: 48 18.919 1.891 0.574 0.380 0.872 0.511 CB 1.207 48 residues pruned to eliminate duplicates Z: 39 22.345 1.869 0.554 0.469 0.921 0.605 CB 1.398 39 residues pruned to eliminate duplicates Z: 41 23.662 1.962 0.617 0.460 0.950 0.700 CB 1.293 41 residues pruned to eliminate duplicates Z: 9 8.173 1.796 0.682 0.602 0.875 0.500 CB 0.992 9 residues pruned to eliminate duplicates Z: 34 18.817 1.878 0.591 0.391 0.909 0.576 CB 1.353 34 residues pruned to eliminate duplicates Z: 40 21.319 1.918 0.553 0.466 0.949 0.513 CB 1.250 40 residues pruned to eliminate duplicates Z: 41 21.610 1.961 0.634 0.419 0.925 0.575 CB 1.254 41 residues pruned to eliminate duplicates Z: 34 19.639 1.910 0.639 0.434 0.939 0.576 CB 1.245 34 residues pruned to eliminate duplicates Z: 21 12.121 1.869 0.694 0.476 0.900 0.550 CB 0.974 21 residues pruned to eliminate duplicates Z: 43 21.393 1.932 0.657 0.429 0.905 0.571 CB 1.227 43 residues pruned to eliminate duplicates Z: 40 22.734 1.935 0.631 0.464 0.923 0.564 CB 1.296 40 residues pruned to eliminate duplicates Z: 16 15.732 1.948 0.695 0.567 0.933 0.533 CB 1.235 16 residues pruned to eliminate duplicates Z: 39 23.569 1.888 0.778 0.474 0.947 0.632 CB 1.235 39 residues pruned to eliminate duplicates Z: 40 23.734 1.921 0.665 0.476 0.923 0.590 CB 1.319 40 residues pruned to eliminate duplicates Z: 41 23.377 1.957 0.702 0.424 0.925 0.625 CB 1.299 41 residues pruned to eliminate duplicates Z: 26 12.638 1.845 0.676 0.404 0.880 0.520 CB 1.028 24 residues pruned to eliminate duplicates Z: 12 7.895 1.583 0.375 0.638 1.000 0.545 CB 0.961 12 residues pruned to eliminate duplicates Z: 12 9.190 1.729 0.405 0.584 0.818 0.727 CB 1.286 12 residues pruned to eliminate duplicates Z: 19 12.086 1.753 0.448 0.458 0.889 0.556 CB 1.317 19 residues pruned to eliminate duplicates Z: 12 8.911 1.728 0.276 0.554 0.909 0.455 CB 1.271 12 residues pruned to eliminate duplicates Z: 40 17.624 1.803 0.488 0.438 0.897 0.462 CB 1.250 40 residues pruned to eliminate duplicates Z: 9 6.238 1.697 0.365 0.536 0.875 0.625 CB 1.051 9 residues pruned to eliminate duplicates Z: 21 12.057 1.844 0.402 0.384 0.850 0.500 CB 1.388 21 residues pruned to eliminate duplicates Z: 21 12.953 1.752 0.657 0.432 0.900 0.600 CB 1.189 21 residues pruned to eliminate duplicates Z: 55 21.816 1.843 0.593 0.376 0.889 0.444 CB 1.299 55 residues pruned to eliminate duplicates Z: 14 10.460 1.742 0.505 0.485 0.923 0.462 CB 1.217 14 residues pruned to eliminate duplicates Z: 30 14.781 1.854 0.518 0.380 0.828 0.621 CB 1.339 30 residues pruned to eliminate duplicates Z: 22 11.500 1.812 0.516 0.361 0.905 0.571 CB 1.172 22 residues pruned to eliminate duplicates Z: 10 10.337 1.937 0.511 0.306 1.000 0.778 CA 1.461 10 residues pruned to eliminate duplicates Z: 27 13.788 1.797 0.500 0.363 0.923 0.577 CB 1.259 27 residues pruned to eliminate duplicates Z: 28 13.003 1.794 0.354 0.418 0.852 0.519 CB 1.318 28 residues pruned to eliminate duplicates Z: 20 14.030 1.812 0.720 0.398 0.842 0.579 CB 1.366 20 residues pruned to eliminate duplicates Z: 30 16.230 1.816 0.537 0.381 0.897 0.621 CA 1.368 30 residues pruned to eliminate duplicates Z: 30 17.178 1.824 0.531 0.434 0.931 0.690 CB 1.314 30 residues pruned to eliminate duplicates Z: 31 15.200 1.853 0.505 0.351 0.900 0.467 CB 1.299 31 residues pruned to eliminate duplicates Z: 30 13.231 1.807 0.498 0.376 0.862 0.621 CB 1.203 30 residues pruned to eliminate duplicates Z: 31 15.873 1.789 0.448 0.456 0.900 0.633 CB 1.301 31 residues pruned to eliminate duplicates Z: 27 14.105 1.771 0.525 0.403 0.885 0.538 CB 1.282 27 residues pruned to eliminate duplicates Z: 19 15.177 1.877 0.681 0.394 0.944 0.500 CB 1.343 19 residues pruned to eliminate duplicates Z: 8 9.969 1.881 0.738 0.580 0.857 0.571 CB 1.245 8 residues pruned to eliminate duplicates Z: 8 9.244 1.873 0.481 0.592 1.000 0.571 CB 1.154 8 residues pruned to eliminate duplicates Z: 19 9.962 1.836 0.410 0.308 0.889 0.556 CB 1.263 19 residues pruned to eliminate duplicates Z: 28 11.435 1.778 0.332 0.418 0.778 0.481 CB 1.302 28 residues pruned to eliminate duplicates Z: 31 13.935 1.801 0.583 0.290 0.867 0.333 CB 1.303 31 residues pruned to eliminate duplicates Z: 52 22.732 1.886 0.579 0.429 0.824 0.431 CA 1.398 52 residues pruned to eliminate duplicates Z: 14 8.167 1.790 0.337 0.316 0.923 0.308 CB 1.257 14 residues pruned to eliminate duplicates Z: 11 4.403 1.797 0.147 0.204 0.800 0.300 CB 1.200 11 residues pruned to eliminate duplicates Z: 14 4.085 1.656 0.223 0.158 0.769 0.308 CB 1.106 14 residues pruned to eliminate duplicates Z: 31 16.301 1.867 0.589 0.344 0.867 0.433 CA 1.371 31 residues pruned to eliminate duplicates Z: 80 30.405 1.882 0.540 0.432 0.911 0.608 CB 1.390 80 residues pruned to eliminate duplicates Z: 27 10.542 1.831 0.206 0.338 0.808 0.308 CA 1.383 27 residues pruned to eliminate duplicates Z: 12 4.757 1.715 0.158 0.341 0.727 0.364 CA 1.181 12 residues pruned to eliminate duplicates Z: 10 5.973 1.825 0.321 0.396 0.667 0.444 CB 1.382 10 residues pruned to eliminate duplicates Z: 44 15.039 1.796 0.474 0.381 0.814 0.535 CB 1.208 44 residues pruned to eliminate duplicates Z: 39 19.948 1.867 0.656 0.452 0.895 0.395 CB 1.229 39 residues pruned to eliminate duplicates Z: 15 14.531 1.955 0.634 0.389 1.000 0.429 CB 1.368 15 residues pruned to eliminate duplicates Z: 42 28.629 1.958 0.679 0.512 0.927 0.585 CA 1.450 42 residues pruned to eliminate duplicates Z: 17 12.907 1.908 0.785 0.353 0.812 0.375 CB 1.368 17 residues pruned to eliminate duplicates Z: 17 13.541 1.909 0.847 0.375 0.812 0.375 CB 1.351 17 residues pruned to eliminate duplicates Z: 18 14.946 1.832 0.879 0.392 0.882 0.412 CB 1.338 18 residues pruned to eliminate duplicates Z: 16 16.848 1.893 0.786 0.423 1.000 0.467 CA 1.394 16 residues pruned to eliminate duplicates Z: 15 16.382 1.860 0.982 0.439 1.000 0.429 CB 1.265 15 residues pruned to eliminate duplicates Z: 16 15.404 1.911 0.881 0.362 0.933 0.400 CA 1.375 16 residues pruned to eliminate duplicates Z: 16 13.916 1.923 0.842 0.360 0.867 0.467 CB 1.361 16 residues pruned to eliminate duplicates Z: 17 10.951 1.881 0.826 0.306 0.812 0.438 CB 1.217 17 residues pruned to eliminate duplicates Z: 18 14.823 1.887 0.839 0.331 0.882 0.353 CB 1.413 18 residues pruned to eliminate duplicates Z: 16 17.193 1.890 0.838 0.426 1.000 0.467 CA 1.381 16 residues pruned to eliminate duplicates Z: 17 16.366 1.878 0.781 0.394 0.938 0.625 CA 1.460 17 residues pruned to eliminate duplicates Z: 18 12.593 1.821 0.869 0.355 0.882 0.529 CA 1.190 18 residues pruned to eliminate duplicates Z: 43 31.186 1.922 0.846 0.526 0.929 0.667 CA 1.423 43 residues pruned to eliminate duplicates Z: 42 29.050 1.968 0.759 0.484 0.927 0.585 CA 1.438 42 residues pruned to eliminate duplicates Z: 24 23.762 2.007 0.704 0.603 0.957 0.696 CA 1.374 24 residues pruned to eliminate duplicates Z: 43 29.409 1.946 0.782 0.490 0.929 0.571 CB 1.425 43 residues pruned to eliminate duplicates Z: 43 29.976 1.935 0.781 0.496 0.952 0.595 CB 1.415 43 residues pruned to eliminate duplicates Z: 42 33.351 1.977 0.845 0.506 0.976 0.683 CA 1.454 42 residues pruned to eliminate duplicates Z: 21 15.863 1.945 0.629 0.472 0.850 0.750 CA 1.355 21 residues pruned to eliminate duplicates Z: 41 32.541 1.983 0.841 0.495 0.975 0.600 CA 1.452 41 residues pruned to eliminate duplicates Z: 42 30.830 1.965 0.803 0.499 0.927 0.659 CB 1.467 42 residues pruned to eliminate duplicates Z: 40 28.168 1.920 0.880 0.477 0.949 0.590 CB 1.349 40 residues pruned to eliminate duplicates Z: 27 27.237 1.956 0.767 0.609 1.000 0.654 CA 1.394 27 residues pruned to eliminate duplicates Z: 22 24.553 2.042 0.817 0.625 0.905 0.810 CA 1.419 22 residues pruned to eliminate duplicates Z: 26 26.580 1.956 0.878 0.629 0.960 0.600 CA 1.335 26 residues pruned to eliminate duplicates Z: 26 26.404 1.903 0.857 0.627 1.000 0.560 CA 1.325 26 residues pruned to eliminate duplicates Z: 43 28.504 1.942 0.772 0.431 0.952 0.595 CA 1.442 43 residues pruned to eliminate duplicates Z: 43 29.409 1.942 0.852 0.479 0.905 0.548 CB 1.425 43 residues pruned to eliminate duplicates Z: 24 24.412 1.957 0.901 0.601 0.913 0.652 CA 1.361 24 residues pruned to eliminate duplicates Z: 43 29.280 1.941 0.907 0.466 0.929 0.500 CB 1.361 43 residues pruned to eliminate duplicates Z: 40 33.431 1.983 0.949 0.505 0.974 0.615 CB 1.415 41 residues pruned to eliminate duplicates Z: 6 2.498 1.474 0.541 0.357 0.800 0.200 CB 0.717 6 residues pruned to eliminate duplicates Z: 41 30.904 1.991 0.844 0.526 0.925 0.575 CA 1.403 40 residues pruned to eliminate duplicates Z: 14 15.317 1.950 0.506 0.739 1.000 0.692 CB 1.167 14 residues pruned to eliminate duplicates Z: 17 14.602 1.927 0.568 0.705 0.875 0.688 CB 1.146 17 residues pruned to eliminate duplicates Z: 26 21.032 1.997 0.661 0.635 0.880 0.560 CB 1.269 26 residues pruned to eliminate duplicates Z: 28 19.397 1.918 0.571 0.609 0.889 0.556 CB 1.256 28 residues pruned to eliminate duplicates Z: 17 12.617 1.930 0.564 0.659 0.938 0.625 CB 0.962 17 residues pruned to eliminate duplicates Z: 19 17.391 1.952 0.788 0.619 0.833 0.500 CB 1.260 19 residues pruned to eliminate duplicates Z: 29 17.529 1.900 0.530 0.564 0.857 0.571 CB 1.250 29 residues pruned to eliminate duplicates Z: 30 18.449 1.917 0.431 0.596 0.897 0.586 CB 1.271 30 residues pruned to eliminate duplicates Z: 15 16.897 2.003 0.443 0.791 1.000 0.643 CB 1.210 15 residues pruned to eliminate duplicates Z: 25 24.507 1.974 0.788 0.589 0.917 0.667 CB 1.419 25 residues pruned to eliminate duplicates Z: 27 19.112 1.978 0.662 0.481 0.846 0.538 CB 1.373 27 residues pruned to eliminate duplicates Z: 34 13.259 1.781 0.605 0.370 0.818 0.303 CB 1.135 34 residues pruned to eliminate duplicates Z: 25 21.339 1.945 0.735 0.573 0.875 0.625 CB 1.375 25 residues pruned to eliminate duplicates Z: 71 32.357 1.889 0.683 0.570 0.857 0.529 CB 1.327 71 residues pruned to eliminate duplicates Z: 14 11.823 1.825 0.658 0.420 0.923 0.538 CB 1.276 14 residues pruned to eliminate duplicates Z: 17 12.752 1.848 0.756 0.426 0.750 0.500 CB 1.415 17 residues pruned to eliminate duplicates Z: 12 16.406 1.955 0.911 0.469 0.909 0.455 CB 1.503 12 residues pruned to eliminate duplicates Z: 13 16.000 1.978 0.847 0.488 0.833 0.583 CB 1.536 13 residues pruned to eliminate duplicates Z: 30 15.705 1.892 0.451 0.458 0.862 0.517 CB 1.287 30 residues pruned to eliminate duplicates Z: 46 23.541 1.902 0.557 0.520 0.889 0.511 CB 1.307 46 residues pruned to eliminate duplicates Z: 27 17.285 1.956 0.383 0.567 0.885 0.654 CB 1.328 27 residues pruned to eliminate duplicates Z: 26 24.027 1.943 0.731 0.607 0.960 0.520 CB 1.344 26 residues pruned to eliminate duplicates Z: 27 19.278 1.823 0.789 0.521 0.846 0.577 CB 1.342 27 residues pruned to eliminate duplicates Z: 26 15.475 1.840 0.596 0.447 0.800 0.440 CB 1.391 26 residues pruned to eliminate duplicates Z: 16 15.894 1.839 0.580 0.651 0.933 0.600 CB 1.315 16 residues pruned to eliminate duplicates Z: 16 16.865 1.863 0.619 0.661 0.933 0.533 CB 1.332 16 residues pruned to eliminate duplicates Z: 15 14.617 1.868 0.663 0.703 0.857 0.571 CA 1.220 15 residues pruned to eliminate duplicates Z: 16 16.654 1.841 0.600 0.643 0.933 0.667 CB 1.369 16 residues pruned to eliminate duplicates Z: 21 16.084 1.815 0.589 0.554 0.900 0.600 CA 1.314 21 residues pruned to eliminate duplicates Z: 17 13.596 1.739 0.573 0.594 0.875 0.750 CB 1.298 17 residues pruned to eliminate duplicates Z: 17 17.196 1.888 0.633 0.615 0.875 0.562 CB 1.430 17 residues pruned to eliminate duplicates Z: 20 12.811 1.809 0.396 0.557 0.895 0.474 CB 1.231 20 residues pruned to eliminate duplicates Z: 56 32.245 1.932 0.608 0.638 0.927 0.691 CB 1.326 56 residues pruned to eliminate duplicates Z: 20 17.229 1.872 0.589 0.622 1.000 0.579 CB 1.185 20 residues pruned to eliminate duplicates Z: 22 15.972 1.816 0.580 0.542 0.952 0.619 CB 1.224 22 residues pruned to eliminate duplicates Z: 47 30.684 1.948 0.642 0.626 0.957 0.652 CA 1.313 47 residues pruned to eliminate duplicates Z: 25 8.804 1.646 0.449 0.276 0.792 0.417 CB 1.226 25 residues pruned to eliminate duplicates Z: 47 29.810 1.938 0.584 0.641 0.913 0.652 CA 1.374 47 residues pruned to eliminate duplicates Z: 48 29.416 1.929 0.602 0.620 0.915 0.532 CB 1.355 48 residues pruned to eliminate duplicates Z: 32 22.255 1.903 0.573 0.634 0.935 0.645 CA 1.258 32 residues pruned to eliminate duplicates Z: 23 20.787 1.990 0.673 0.575 0.955 0.636 CA 1.298 23 residues pruned to eliminate duplicates Z: 31 22.733 1.969 0.488 0.671 1.000 0.733 CA 1.209 31 residues pruned to eliminate duplicates Z: 26 28.596 2.073 0.601 0.771 0.960 0.760 CA 1.412 26 residues pruned to eliminate duplicates Z: 21 21.483 1.930 0.763 0.635 0.900 0.650 CA 1.382 21 residues pruned to eliminate duplicates Z: 29 24.084 1.957 0.506 0.689 0.929 0.643 CA 1.398 29 residues pruned to eliminate duplicates Z: 28 26.313 2.027 0.582 0.734 0.926 0.778 CA 1.383 28 residues pruned to eliminate duplicates Z: 26 25.805 1.974 0.614 0.778 0.920 0.760 CA 1.377 26 residues pruned to eliminate duplicates Z: 28 33.304 2.042 0.841 0.715 0.963 0.778 CA 1.457 28 residues pruned to eliminate duplicates Z: 82 41.061 1.984 0.722 0.597 0.914 0.593 CB 1.332 82 residues pruned to eliminate duplicates Z: 30 28.105 1.929 0.765 0.701 0.862 0.690 CA 1.480 30 residues pruned to eliminate duplicates Z: 34 23.960 1.928 0.671 0.614 0.879 0.667 CA 1.322 34 residues pruned to eliminate duplicates Z: 28 32.240 2.029 0.882 0.727 0.926 0.704 CA 1.430 28 residues pruned to eliminate duplicates Z: 54 33.098 1.924 0.796 0.614 0.849 0.566 CA 1.391 54 residues pruned to eliminate duplicates Z: 29 32.974 2.026 0.900 0.707 0.964 0.643 CA 1.391 29 residues pruned to eliminate duplicates Z: 52 29.222 1.931 0.719 0.554 0.863 0.471 CB 1.355 52 residues pruned to eliminate duplicates Z: 26 29.583 2.004 0.788 0.752 0.920 0.680 CB 1.434 26 residues pruned to eliminate duplicates Z: 33 34.388 1.982 0.866 0.697 0.969 0.719 CA 1.418 33 residues pruned to eliminate duplicates Z: 26 35.884 2.017 0.996 0.771 1.000 0.640 CA 1.402 26 residues pruned to eliminate duplicates Z: 54 37.118 1.976 0.806 0.607 0.962 0.623 CB 1.341 54 residues pruned to eliminate duplicates Z: 39 30.213 1.976 0.802 0.573 0.974 0.658 CA 1.317 39 residues pruned to eliminate duplicates Z: 60 29.806 1.912 0.674 0.546 0.949 0.542 CB 1.221 60 residues pruned to eliminate duplicates Z: 27 28.919 2.031 0.757 0.738 0.962 0.692 CA 1.335 27 residues pruned to eliminate duplicates Z: 36 31.785 1.977 0.827 0.635 0.914 0.657 CA 1.433 36 residues pruned to eliminate duplicates Z: 54 34.096 1.952 0.721 0.668 0.943 0.660 CB 1.265 54 residues pruned to eliminate duplicates Z: 33 31.033 2.049 0.785 0.696 0.938 0.719 CA 1.338 33 residues pruned to eliminate duplicates Z: 36 31.881 2.001 0.874 0.623 0.914 0.629 CA 1.401 36 residues pruned to eliminate duplicates Z: 80 42.129 2.016 0.700 0.624 0.924 0.633 CB 1.332 80 residues pruned to eliminate duplicates Z: 66 36.465 2.052 0.699 0.549 0.908 0.631 CB 1.362 66 residues pruned to eliminate duplicates Z: 81 39.903 2.014 0.679 0.576 0.925 0.562 CA 1.326 81 residues pruned to eliminate duplicates Z: 52 28.252 1.977 0.634 0.566 0.922 0.569 CB 1.247 52 residues pruned to eliminate duplicates Z: 42 25.128 1.900 0.796 0.577 0.927 0.415 CB 1.152 42 residues pruned to eliminate duplicates Z: 58 31.428 1.983 0.691 0.541 0.965 0.667 CB 1.235 58 residues pruned to eliminate duplicates Z: 90 40.311 1.981 0.721 0.543 0.921 0.584 CB 1.304 90 residues pruned to eliminate duplicates Z: 22 10.178 1.908 0.440 0.369 0.857 0.524 CB 1.085 22 residues pruned to eliminate duplicates Z: 89 40.060 1.981 0.761 0.523 0.864 0.614 CA 1.386 89 residues pruned to eliminate duplicates Z: 16 9.610 1.838 0.544 0.484 0.867 0.467 CA 1.025 16 residues pruned to eliminate duplicates Z: 55 27.678 1.978 0.568 0.509 0.926 0.519 CA 1.300 55 residues pruned to eliminate duplicates Z: 53 31.655 2.016 0.673 0.538 0.923 0.519 CA 1.359 53 residues pruned to eliminate duplicates Z: 121 51.750 2.028 0.703 0.558 0.933 0.533 CB 1.385 121 residues pruned to eliminate duplicates Z: 55 30.266 1.968 0.678 0.557 0.926 0.630 CB 1.275 55 residues pruned to eliminate duplicates Z: 16 8.012 1.855 0.401 0.425 0.933 0.400 CA 0.922 16 residues pruned to eliminate duplicates Z: 12 5.681 1.794 0.570 0.421 0.818 0.545 CB 0.807 12 residues pruned to eliminate duplicates Z: 68 29.059 2.005 0.655 0.437 0.851 0.522 CB 1.341 68 residues pruned to eliminate duplicates Z: 40 24.941 2.000 0.638 0.515 0.897 0.641 CB 1.338 40 residues pruned to eliminate duplicates Z: 40 27.414 2.015 0.633 0.547 0.923 0.590 CA 1.380 40 residues pruned to eliminate duplicates Z: 47 26.405 1.990 0.691 0.471 0.935 0.500 CB 1.275 47 residues pruned to eliminate duplicates Z: 39 23.965 2.050 0.566 0.504 0.895 0.684 CA 1.348 39 residues pruned to eliminate duplicates Z: 20 10.436 1.943 0.572 0.345 0.842 0.579 CB 1.102 20 residues pruned to eliminate duplicates Z: 84 45.521 2.056 0.781 0.507 0.940 0.627 CA 1.442 84 residues pruned to eliminate duplicates Z: 77 39.676 2.031 0.720 0.566 0.895 0.553 CA 1.365 77 residues pruned to eliminate duplicates Z: 48 24.067 1.950 0.691 0.443 0.872 0.553 CB 1.294 48 residues pruned to eliminate duplicates Z: 56 30.412 2.093 0.642 0.506 0.836 0.600 CA 1.417 56 residues pruned to eliminate duplicates Z: 80 42.493 2.058 0.775 0.527 0.886 0.633 CA 1.439 80 residues pruned to eliminate duplicates Z: 37 29.120 2.045 0.824 0.531 0.917 0.639 CA 1.376 37 residues pruned to eliminate duplicates Z: 57 28.726 2.024 0.668 0.451 0.875 0.518 CA 1.366 57 residues pruned to eliminate duplicates Z: 40 28.459 2.017 0.735 0.516 0.923 0.590 CA 1.388 40 residues pruned to eliminate duplicates Z: 82 44.745 2.028 0.744 0.585 0.975 0.593 CB 1.328 82 residues pruned to eliminate duplicates Z: 84 36.996 1.986 0.637 0.566 0.928 0.639 CB 1.264 84 residues pruned to eliminate duplicates Z: 95 46.730 2.051 0.768 0.504 0.936 0.564 CB 1.414 95 residues pruned to eliminate duplicates Z: 79 41.944 2.036 0.826 0.481 0.923 0.590 CA 1.411 79 residues pruned to eliminate duplicates Z: 36 28.430 2.074 0.700 0.549 0.943 0.657 CA 1.378 36 residues pruned to eliminate duplicates Z: 80 40.601 2.053 0.842 0.498 0.873 0.532 CB 1.385 80 residues pruned to eliminate duplicates Z: 43 25.233 2.023 0.714 0.493 0.905 0.643 CA 1.249 43 residues pruned to eliminate duplicates Z: 44 26.374 2.029 0.623 0.507 0.930 0.558 CA 1.304 44 residues pruned to eliminate duplicates Z: 43 27.557 2.014 0.692 0.565 0.929 0.667 CA 1.263 43 residues pruned to eliminate duplicates Z: 40 28.356 2.023 0.738 0.530 0.897 0.667 CB 1.397 40 residues pruned to eliminate duplicates Z: 69 42.270 2.093 0.827 0.489 0.912 0.574 CA 1.486 69 residues pruned to eliminate duplicates Z: 44 27.798 2.041 0.737 0.482 0.930 0.605 CA 1.309 44 residues pruned to eliminate duplicates Z: 39 29.007 2.032 0.744 0.558 0.947 0.658 CB 1.324 39 residues pruned to eliminate duplicates Z: 50 25.548 1.930 0.762 0.450 0.837 0.612 CA 1.350 50 residues pruned to eliminate duplicates Z: 88 43.821 2.071 0.689 0.510 0.954 0.586 CA 1.395 88 residues pruned to eliminate duplicates Z: 37 28.072 2.058 0.808 0.529 0.889 0.667 CB 1.375 37 residues pruned to eliminate duplicates Z: 83 39.428 2.061 0.710 0.493 0.902 0.561 CA 1.378 83 residues pruned to eliminate duplicates Z: 23 30.307 2.113 0.898 0.635 0.955 0.591 CA 1.488 23 residues pruned to eliminate duplicates Z: 35 30.775 2.042 0.890 0.520 0.941 0.618 CB 1.425 35 residues pruned to eliminate duplicates Z: 63 33.812 2.047 0.772 0.469 0.871 0.548 CA 1.403 63 residues pruned to eliminate duplicates Z: 72 47.399 2.110 0.905 0.535 0.915 0.592 CA 1.477 72 residues pruned to eliminate duplicates Z: 62 35.424 2.052 0.816 0.462 0.902 0.607 CA 1.403 62 residues pruned to eliminate duplicates Z: 42 37.082 2.093 0.829 0.525 0.951 0.634 CA 1.552 42 residues pruned to eliminate duplicates Z: 42 33.085 2.070 0.974 0.494 0.951 0.585 CB 1.338 42 residues pruned to eliminate duplicates Z: 84 42.207 2.056 0.729 0.524 0.940 0.651 CA 1.354 84 residues pruned to eliminate duplicates Z: 20 14.864 2.052 0.592 0.334 0.842 0.421 CB 1.487 20 residues pruned to eliminate duplicates Z: 43 32.069 2.102 0.787 0.476 0.905 0.524 CA 1.492 43 residues pruned to eliminate duplicates Z: 20 14.361 2.060 0.690 0.362 0.789 0.368 CB 1.391 20 residues pruned to eliminate duplicates Z: 42 32.905 2.082 0.752 0.507 0.951 0.585 CB 1.470 42 residues pruned to eliminate duplicates Z: 20 16.402 2.093 0.711 0.394 0.842 0.263 CB 1.396 20 residues pruned to eliminate duplicates Z: 20 17.114 2.014 0.714 0.414 0.947 0.526 CB 1.314 20 residues pruned to eliminate duplicates Z: 42 27.713 2.046 0.703 0.496 0.902 0.512 CB 1.382 42 residues pruned to eliminate duplicates Z: 41 34.702 2.057 0.811 0.517 0.975 0.550 CB 1.485 41 residues pruned to eliminate duplicates Z: 32 18.992 1.995 0.749 0.335 0.871 0.484 CB 1.345 32 residues pruned to eliminate duplicates Z: 40 32.314 2.049 0.756 0.556 0.923 0.615 CA 1.475 40 residues pruned to eliminate duplicates Z: 42 33.942 2.127 0.747 0.481 0.951 0.585 CA 1.529 42 residues pruned to eliminate duplicates Z: 26 16.365 2.013 0.581 0.343 0.840 0.440 CA 1.451 26 residues pruned to eliminate duplicates Z: 42 33.570 2.090 0.811 0.505 0.927 0.561 CB 1.487 42 residues pruned to eliminate duplicates Z: 41 31.592 2.105 0.811 0.471 0.900 0.600 CB 1.500 41 residues pruned to eliminate duplicates Z: 42 29.813 2.050 0.705 0.470 0.976 0.634 CA 1.408 42 residues pruned to eliminate duplicates Z: 41 36.119 2.133 0.866 0.523 0.925 0.625 CB 1.515 41 residues pruned to eliminate duplicates Z: 41 36.498 2.125 0.827 0.514 0.950 0.625 CB 1.544 41 residues pruned to eliminate duplicates Z: 43 31.780 2.030 0.842 0.497 0.929 0.548 CB 1.416 43 residues pruned to eliminate duplicates Z: 43 31.265 2.054 0.752 0.489 0.905 0.595 CA 1.498 43 residues pruned to eliminate duplicates Z: 28 30.537 2.064 0.899 0.535 0.963 0.630 CA 1.504 28 residues pruned to eliminate duplicates Z: 41 33.827 2.120 0.751 0.503 0.925 0.550 CB 1.553 41 residues pruned to eliminate duplicates Z: 41 34.881 2.117 0.888 0.514 0.900 0.600 CB 1.512 41 residues pruned to eliminate duplicates Z: 40 37.592 2.121 0.881 0.509 0.974 0.538 CB 1.535 40 residues pruned to eliminate duplicates Z: 31 23.523 1.974 0.817 0.517 0.900 0.667 CA 1.308 31 residues pruned to eliminate duplicates Z: 42 32.678 2.073 0.860 0.489 0.951 0.537 CB 1.407 42 residues pruned to eliminate duplicates Z: 42 35.001 2.091 0.833 0.474 0.951 0.537 CB 1.540 42 residues pruned to eliminate duplicates Z: 27 26.542 1.934 1.026 0.600 0.885 0.538 CB 1.365 27 residues pruned to eliminate duplicates Z: 42 34.333 2.085 0.921 0.471 0.927 0.463 CB 1.487 42 residues pruned to eliminate duplicates Z: 41 32.105 2.078 0.907 0.482 0.875 0.575 CB 1.490 49 residues pruned to eliminate duplicates Z: 6 4.321 1.460 1.482 0.479 0.800 0.400 CA 0.681 6 residues pruned to eliminate duplicates Z: 13 13.220 1.947 0.582 0.500 1.000 0.750 CA 1.238 13 residues pruned to eliminate duplicates Z: 28 31.799 2.095 0.915 0.574 0.963 0.556 CA 1.475 28 residues pruned to eliminate duplicates Z: 6 3.209 1.476 0.575 0.441 0.800 0.600 CA 0.820 6 residues pruned to eliminate duplicates Z: 41 37.873 2.128 0.955 0.511 0.925 0.475 CB 1.540 41 residues pruned to eliminate duplicates Z: 43 32.817 2.076 0.872 0.463 0.905 0.429 CB 1.495 43 residues pruned to eliminate duplicates Z: 35 27.415 1.943 0.521 0.696 0.971 0.706 CB 1.371 35 residues pruned to eliminate duplicates Z: 27 23.166 1.967 0.363 0.754 1.000 0.846 CA 1.352 25 residues pruned to eliminate duplicates Z: 25 23.273 1.913 0.418 0.792 0.958 0.833 CA 1.414 25 residues pruned to eliminate duplicates Z: 79 38.163 1.937 0.571 0.618 0.936 0.654 CB 1.358 79 residues pruned to eliminate duplicates Z: 13 11.097 1.862 0.540 0.593 0.917 0.667 CA 1.116 13 residues pruned to eliminate duplicates Z: 61 32.897 1.928 0.532 0.659 0.950 0.700 CA 1.306 61 residues pruned to eliminate duplicates Z: 82 34.965 1.898 0.544 0.573 0.938 0.605 CB 1.316 82 residues pruned to eliminate duplicates Z: 25 28.220 1.970 0.555 0.808 0.958 0.667 CA 1.500 25 residues pruned to eliminate duplicates Z: 25 26.245 1.982 0.530 0.809 1.000 0.792 CA 1.350 25 residues pruned to eliminate duplicates Z: 77 38.934 1.947 0.604 0.625 0.934 0.711 CB 1.361 77 residues pruned to eliminate duplicates Z: 80 37.588 1.927 0.549 0.611 0.949 0.633 CB 1.344 80 residues pruned to eliminate duplicates Z: 40 25.559 1.848 0.522 0.669 0.949 0.615 CB 1.312 40 residues pruned to eliminate duplicates Z: 77 42.997 1.940 0.672 0.643 0.974 0.618 CB 1.367 77 residues pruned to eliminate duplicates Z: 26 26.868 1.928 0.554 0.778 1.000 0.680 CB 1.403 28 residues pruned to eliminate duplicates Z: 23 26.827 1.991 0.579 0.847 0.955 0.636 CB 1.414 23 residues pruned to eliminate duplicates Z: 77 38.816 1.933 0.572 0.627 0.934 0.658 CB 1.392 77 residues pruned to eliminate duplicates Z: 78 37.488 1.927 0.579 0.614 0.922 0.584 CB 1.368 78 residues pruned to eliminate duplicates Z: 63 32.183 1.896 0.554 0.617 0.919 0.581 CB 1.350 63 residues pruned to eliminate duplicates Z: 23 33.887 1.972 0.793 0.855 1.000 0.455 CA 1.508 23 residues pruned to eliminate duplicates Z: 61 33.075 1.939 0.520 0.613 0.967 0.683 CA 1.347 61 residues pruned to eliminate duplicates Z: 31 26.561 1.963 0.512 0.711 0.967 0.700 CA 1.396 31 residues pruned to eliminate duplicates Z: 54 34.241 1.930 0.667 0.613 0.943 0.566 CB 1.392 54 residues pruned to eliminate duplicates Z: 26 29.244 1.974 0.656 0.812 0.960 0.640 CA 1.421 26 residues pruned to eliminate duplicates Z: 42 25.882 1.851 0.656 0.601 0.902 0.610 CB 1.327 42 residues pruned to eliminate duplicates Z: 78 40.119 1.944 0.629 0.617 0.948 0.584 CB 1.364 78 residues pruned to eliminate duplicates Z: 45 25.371 1.909 0.481 0.610 0.932 0.659 CB 1.308 45 residues pruned to eliminate duplicates Z: 43 27.466 1.919 0.503 0.651 0.952 0.643 CA 1.340 43 residues pruned to eliminate duplicates 6 1.878 1.385 0.350 0.471 0.800 0.600 CA 0.578 ? Z: 6 4.162 1.828 -0.197 0.485 1.000 0.600 CB 1.288 6 residues pruned to eliminate duplicates Z: 79 37.053 1.934 0.583 0.599 0.936 0.603 CB 1.332 79 residues pruned to eliminate duplicates Z: 13 7.520 1.732 0.253 0.423 0.917 0.333 CB 1.183 13 residues pruned to eliminate duplicates Z: 77 38.468 1.922 0.629 0.591 0.947 0.592 CB 1.364 77 residues pruned to eliminate duplicates Z: 45 27.178 1.901 0.652 0.523 0.932 0.591 CB 1.368 45 residues pruned to eliminate duplicates Z: 46 28.783 1.919 0.570 0.557 0.956 0.578 CA 1.411 46 residues pruned to eliminate duplicates Z: 43 27.000 1.925 0.626 0.565 0.905 0.690 CB 1.381 43 residues pruned to eliminate duplicates Z: 37 28.900 1.950 0.650 0.624 0.944 0.694 CA 1.410 37 residues pruned to eliminate duplicates Z: 47 24.709 1.905 0.556 0.507 0.891 0.565 CB 1.369 47 residues pruned to eliminate duplicates Z: 39 25.231 1.924 0.548 0.592 0.921 0.553 CB 1.367 39 residues pruned to eliminate duplicates Z: 47 27.284 1.915 0.589 0.542 0.957 0.630 CB 1.326 47 residues pruned to eliminate duplicates Z: 54 22.376 1.857 0.564 0.460 0.849 0.566 CB 1.298 54 residues pruned to eliminate duplicates Z: 45 26.404 1.919 0.627 0.549 0.886 0.545 CB 1.372 45 residues pruned to eliminate duplicates Z: 41 24.647 1.943 0.535 0.562 0.875 0.575 CA 1.406 41 residues pruned to eliminate duplicates Z: 81 36.588 1.907 0.594 0.573 0.963 0.575 CB 1.303 81 residues pruned to eliminate duplicates Z: 43 27.886 1.930 0.649 0.571 0.929 0.714 CA 1.359 43 residues pruned to eliminate duplicates Z: 45 27.738 1.932 0.612 0.539 0.932 0.636 CB 1.387 45 residues pruned to eliminate duplicates Z: 36 25.447 1.959 0.638 0.547 0.914 0.686 CA 1.400 36 residues pruned to eliminate duplicates Z: 67 35.029 1.941 0.601 0.574 0.909 0.545 CA 1.422 67 residues pruned to eliminate duplicates Z: 44 25.124 1.903 0.567 0.545 0.930 0.721 CB 1.321 44 residues pruned to eliminate duplicates Z: 43 27.963 1.926 0.646 0.550 0.929 0.643 CB 1.396 43 residues pruned to eliminate duplicates Z: 46 25.244 1.907 0.602 0.514 0.933 0.644 CB 1.302 46 residues pruned to eliminate duplicates Z: 37 26.712 1.925 0.596 0.575 0.972 0.750 CA 1.388 37 residues pruned to eliminate duplicates Z: 47 26.647 1.884 0.637 0.512 0.935 0.674 CB 1.347 47 residues pruned to eliminate duplicates Z: 77 37.819 1.922 0.634 0.586 0.934 0.632 CB 1.362 77 residues pruned to eliminate duplicates Z: 44 22.429 1.924 0.436 0.518 0.884 0.605 CB 1.376 44 residues pruned to eliminate duplicates Z: 44 28.348 1.945 0.626 0.565 0.953 0.605 CB 1.346 44 residues pruned to eliminate duplicates Z: 41 25.420 1.903 0.634 0.554 0.875 0.625 CB 1.401 41 residues pruned to eliminate duplicates Z: 46 26.993 1.920 0.551 0.563 0.933 0.556 CB 1.362 46 residues pruned to eliminate duplicates Z: 53 25.385 1.900 0.536 0.498 0.942 0.577 CB 1.283 53 residues pruned to eliminate duplicates Z: 78 38.725 1.945 0.673 0.596 0.922 0.623 CB 1.342 78 residues pruned to eliminate duplicates Z: 37 27.924 1.944 0.768 0.571 0.917 0.611 CB 1.379 37 residues pruned to eliminate duplicates Z: 46 23.450 1.883 0.632 0.491 0.867 0.667 CB 1.324 46 residues pruned to eliminate duplicates Z: 47 23.927 1.866 0.733 0.476 0.826 0.587 CB 1.353 47 residues pruned to eliminate duplicates Z: 17 12.180 1.733 0.843 0.611 0.875 0.562 CB 0.981 17 residues pruned to eliminate duplicates Z: 77 40.291 1.943 0.642 0.611 0.947 0.605 CB 1.376 77 residues pruned to eliminate duplicates Z: 14 10.620 1.891 0.592 0.647 0.923 0.538 CB 0.924 14 residues pruned to eliminate duplicates Z: 45 24.910 1.934 0.644 0.488 0.864 0.591 CB 1.385 45 residues pruned to eliminate duplicates Z: 27 12.461 1.706 0.586 0.482 0.808 0.500 CB 1.138 27 residues pruned to eliminate duplicates Z: 38 26.802 1.951 0.661 0.564 0.946 0.568 CA 1.351 38 residues pruned to eliminate duplicates Z: 81 24.636 1.865 0.556 0.422 0.850 0.425 CB 1.211 81 residues pruned to eliminate duplicates Z: 77 24.239 1.835 0.482 0.394 0.882 0.434 CB 1.297 77 residues pruned to eliminate duplicates Z: 40 17.994 1.855 0.541 0.387 0.923 0.564 CB 1.230 40 residues pruned to eliminate duplicates Z: 36 15.726 1.807 0.505 0.420 0.829 0.486 CB 1.283 36 residues pruned to eliminate duplicates Z: 93 29.370 1.900 0.541 0.449 0.859 0.489 CB 1.283 93 residues pruned to eliminate duplicates Z: 25 11.762 1.788 0.472 0.332 0.875 0.292 CB 1.253 25 residues pruned to eliminate duplicates Z: 40 14.311 1.844 0.419 0.416 0.821 0.487 CB 1.164 40 residues pruned to eliminate duplicates Z: 21 12.332 1.816 0.526 0.385 0.900 0.600 CA 1.250 21 residues pruned to eliminate duplicates Z: 44 18.651 1.867 0.614 0.388 0.884 0.558 CB 1.203 44 residues pruned to eliminate duplicates Z: 42 19.183 1.928 0.591 0.384 0.902 0.488 CB 1.224 42 residues pruned to eliminate duplicates Z: 38 16.262 1.832 0.506 0.429 0.919 0.432 CB 1.135 38 residues pruned to eliminate duplicates Z: 44 17.469 1.886 0.418 0.384 0.884 0.465 CB 1.275 44 residues pruned to eliminate duplicates Z: 49 17.975 1.820 0.496 0.416 0.833 0.500 CB 1.248 49 residues pruned to eliminate duplicates Z: 38 21.511 1.906 0.574 0.415 0.946 0.405 CB 1.363 38 residues pruned to eliminate duplicates Z: 42 15.527 1.793 0.447 0.349 0.927 0.561 CB 1.188 42 residues pruned to eliminate duplicates Z: 47 16.836 1.867 0.456 0.340 0.891 0.457 CB 1.220 47 residues pruned to eliminate duplicates Z: 23 12.948 1.948 0.378 0.372 0.955 0.545 CB 1.236 23 residues pruned to eliminate duplicates Z: 28 17.623 1.933 0.522 0.402 0.926 0.593 CA 1.381 28 residues pruned to eliminate duplicates Z: 50 18.901 1.859 0.398 0.365 0.939 0.367 CB 1.280 50 residues pruned to eliminate duplicates Z: 43 19.592 1.875 0.547 0.371 0.929 0.381 CB 1.289 43 residues pruned to eliminate duplicates Z: 44 16.862 1.891 0.411 0.387 0.837 0.512 CB 1.298 44 residues pruned to eliminate duplicates Z: 48 19.479 1.834 0.511 0.380 0.936 0.511 CB 1.245 48 residues pruned to eliminate duplicates Z: 27 13.241 1.868 0.568 0.345 0.808 0.577 CA 1.299 27 residues pruned to eliminate duplicates Z: 75 28.449 1.896 0.627 0.440 0.878 0.500 CB 1.298 75 residues pruned to eliminate duplicates Z: 31 21.097 1.932 0.676 0.479 0.933 0.700 CB 1.301 31 residues pruned to eliminate duplicates Z: 18 11.192 1.859 0.622 0.303 0.765 0.588 CB 1.466 18 residues pruned to eliminate duplicates Z: 44 15.038 1.868 0.321 0.351 0.860 0.512 CB 1.268 44 residues pruned to eliminate duplicates Z: 43 18.895 1.901 0.484 0.390 0.905 0.619 CB 1.284 43 residues pruned to eliminate duplicates Z: 43 19.127 1.901 0.548 0.373 0.905 0.595 CB 1.270 43 residues pruned to eliminate duplicates Z: 47 19.588 1.821 0.608 0.386 0.913 0.522 CB 1.219 47 residues pruned to eliminate duplicates Z: 22 9.873 1.831 0.521 0.368 0.810 0.381 CB 1.101 22 residues pruned to eliminate duplicates Z: 122 39.028 1.903 0.586 0.508 0.909 0.537 CB 1.283 122 residues pruned to eliminate duplicates Z: 44 18.217 1.868 0.489 0.376 0.860 0.512 CB 1.326 44 residues pruned to eliminate duplicates Z: 43 17.636 1.901 0.463 0.400 0.881 0.524 CB 1.235 43 residues pruned to eliminate duplicates Z: 40 17.809 1.920 0.488 0.417 0.872 0.513 CB 1.248 40 residues pruned to eliminate duplicates Z: 19 13.434 1.913 0.510 0.493 0.889 0.278 CB 1.242 19 residues pruned to eliminate duplicates Z: 46 16.636 1.815 0.517 0.384 0.911 0.444 CB 1.118 46 residues pruned to eliminate duplicates Z: 12 6.372 1.931 0.436 0.234 0.727 0.545 CB 1.298 12 residues pruned to eliminate duplicates Z: 30 15.273 1.889 0.588 0.350 0.897 0.621 CB 1.240 30 residues pruned to eliminate duplicates Z: 21 11.075 1.814 0.535 0.430 0.950 0.400 CB 1.007 21 residues pruned to eliminate duplicates Z: 46 19.098 1.886 0.560 0.382 0.889 0.511 CB 1.235 46 residues pruned to eliminate duplicates Z: 64 22.948 1.867 0.539 0.415 0.905 0.540 CB 1.215 64 residues pruned to eliminate duplicates Z: 42 19.070 1.922 0.591 0.403 0.878 0.585 CB 1.229 42 residues pruned to eliminate duplicates Z: 25 9.963 1.776 0.627 0.285 0.792 0.500 CB 1.133 25 residues pruned to eliminate duplicates Z: 44 18.581 1.889 0.495 0.400 0.907 0.581 CB 1.230 44 residues pruned to eliminate duplicates Z: 45 21.325 1.914 0.593 0.413 0.909 0.500 CB 1.270 45 residues pruned to eliminate duplicates Z: 65 23.975 1.832 0.661 0.458 0.875 0.516 CB 1.174 65 residues pruned to eliminate duplicates Z: 10 8.281 1.810 0.249 0.488 1.000 0.556 CB 1.235 10 residues pruned to eliminate duplicates Z: 12 4.239 1.727 0.156 0.246 0.727 0.182 CB 1.180 12 residues pruned to eliminate duplicates Z: 18 11.141 1.777 0.400 0.420 0.941 0.471 CA 1.254 18 residues pruned to eliminate duplicates Z: 6 4.101 1.622 0.486 0.479 1.000 0.400 CB 0.777 6 residues pruned to eliminate duplicates Z: 20 11.264 1.813 0.290 0.434 0.947 0.526 CB 1.248 20 residues pruned to eliminate duplicates Z: 8 5.496 1.362 0.664 0.590 0.857 0.571 CA 0.981 8 residues pruned to eliminate duplicates Z: 31 15.241 1.841 0.659 0.479 0.867 0.367 CB 1.074 31 residues pruned to eliminate duplicates Z: 36 17.463 1.822 0.594 0.497 0.886 0.571 CB 1.151 36 residues pruned to eliminate duplicates Z: 31 17.130 1.835 0.632 0.507 0.900 0.633 CB 1.153 31 residues pruned to eliminate duplicates Z: 46 19.704 1.803 0.626 0.468 0.867 0.511 CB 1.195 46 residues pruned to eliminate duplicates Z: 31 17.049 1.847 0.638 0.500 0.933 0.500 CB 1.103 31 residues pruned to eliminate duplicates Z: 41 20.540 1.862 0.530 0.519 0.900 0.550 CB 1.244 41 residues pruned to eliminate duplicates Z: 41 25.187 1.894 0.609 0.563 0.950 0.500 CB 1.294 41 residues pruned to eliminate duplicates Z: 18 19.560 1.732 0.860 0.810 0.941 0.706 CA 1.195 18 residues pruned to eliminate duplicates Z: 28 19.867 1.840 0.682 0.575 0.926 0.630 CB 1.240 28 residues pruned to eliminate duplicates Z: 35 20.970 1.869 0.664 0.540 0.912 0.559 CB 1.220 35 residues pruned to eliminate duplicates Z: 20 13.045 1.852 0.603 0.573 0.947 0.579 CB 0.991 20 residues pruned to eliminate duplicates Z: 36 16.593 1.785 0.695 0.439 0.857 0.514 CB 1.152 36 residues pruned to eliminate duplicates Z: 21 14.323 1.868 0.558 0.555 0.900 0.650 CB 1.159 21 residues pruned to eliminate duplicates Z: 31 19.667 1.858 0.601 0.539 0.900 0.533 CB 1.291 31 residues pruned to eliminate duplicates Z: 19 15.794 1.865 0.741 0.605 0.889 0.611 CB 1.168 19 residues pruned to eliminate duplicates Z: 19 16.407 1.864 0.885 0.600 0.889 0.500 CB 1.126 19 residues pruned to eliminate duplicates Z: 29 19.570 1.859 0.655 0.517 0.929 0.607 CB 1.273 29 residues pruned to eliminate duplicates Z: 21 16.368 1.879 0.752 0.548 0.950 0.650 CB 1.117 21 residues pruned to eliminate duplicates Z: 42 23.560 1.878 0.597 0.538 0.927 0.512 CB 1.275 42 residues pruned to eliminate duplicates Z: 67 32.421 1.893 0.533 0.635 0.939 0.561 CB 1.290 67 residues pruned to eliminate duplicates Z: 40 24.392 1.893 0.673 0.563 0.923 0.615 CB 1.258 40 residues pruned to eliminate duplicates Z: 49 18.212 1.751 0.594 0.420 0.854 0.458 CB 1.198 49 residues pruned to eliminate duplicates Z: 10 8.122 1.607 0.349 0.720 0.889 0.111 N 1.152 10 residues pruned to eliminate duplicates Z: 52 23.379 1.835 0.379 0.606 0.941 0.667 CB 1.243 52 residues pruned to eliminate duplicates Z: 46 25.766 1.830 0.484 0.662 0.911 0.556 CB 1.336 46 residues pruned to eliminate duplicates Z: 45 25.086 1.848 0.432 0.658 0.932 0.636 CB 1.325 45 residues pruned to eliminate duplicates Z: 42 25.855 1.881 0.422 0.707 0.927 0.610 CB 1.349 42 residues pruned to eliminate duplicates Z: 55 28.800 1.855 0.491 0.648 0.926 0.685 CB 1.333 55 residues pruned to eliminate duplicates Z: 13 11.424 1.536 0.515 0.809 0.917 0.250 CA 1.181 13 residues pruned to eliminate duplicates Z: 44 24.624 1.869 0.369 0.696 0.930 0.674 CA 1.319 44 residues pruned to eliminate duplicates Z: 26 10.259 1.726 0.390 0.502 0.840 0.480 CB 1.017 26 residues pruned to eliminate duplicates Z: 34 16.325 1.763 0.414 0.555 0.848 0.606 CB 1.274 34 residues pruned to eliminate duplicates Z: 46 21.963 1.835 0.428 0.631 0.867 0.667 CB 1.275 46 residues pruned to eliminate duplicates Z: 38 18.309 1.840 0.296 0.663 0.892 0.595 CB 1.216 38 residues pruned to eliminate duplicates Z: 44 23.031 1.862 0.410 0.707 0.860 0.605 CA 1.287 44 residues pruned to eliminate duplicates Z: 31 22.770 1.939 0.424 0.678 0.967 0.733 CA 1.322 31 residues pruned to eliminate duplicates Z: 19 11.373 1.739 0.470 0.594 0.833 0.444 CB 1.150 19 residues pruned to eliminate duplicates Z: 31 22.682 1.917 0.455 0.678 0.967 0.767 CB 1.305 31 residues pruned to eliminate duplicates Z: 33 18.025 1.855 0.342 0.648 0.938 0.719 CA 1.189 33 residues pruned to eliminate duplicates Z: 26 20.556 1.934 0.445 0.641 1.000 0.680 CB 1.289 26 residues pruned to eliminate duplicates Z: 43 25.784 1.870 0.462 0.693 0.929 0.667 CA 1.313 43 residues pruned to eliminate duplicates Z: 18 10.213 1.834 0.384 0.488 0.882 0.706 CB 1.119 18 residues pruned to eliminate duplicates Z: 15 13.112 1.847 0.486 0.668 0.929 0.786 CA 1.177 15 residues pruned to eliminate duplicates Z: 26 13.219 1.771 0.505 0.399 0.880 0.600 CB 1.254 26 residues pruned to eliminate duplicates Z: 33 22.274 1.966 0.247 0.729 0.969 0.844 CA 1.350 33 residues pruned to eliminate duplicates Z: 32 19.618 1.897 0.410 0.662 0.871 0.710 CA 1.302 32 residues pruned to eliminate duplicates Z: 25 16.422 1.844 0.486 0.566 0.958 0.750 CB 1.197 25 residues pruned to eliminate duplicates Z: 31 22.604 1.920 0.401 0.701 0.967 0.700 CA 1.322 31 residues pruned to eliminate duplicates Z: 36 17.791 1.767 0.417 0.546 0.914 0.571 CB 1.256 36 residues pruned to eliminate duplicates Z: 23 15.627 1.841 0.685 0.445 0.909 0.636 CB 1.250 23 residues pruned to eliminate duplicates Z: 40 19.067 1.860 0.406 0.514 0.897 0.667 CB 1.283 40 residues pruned to eliminate duplicates Z: 22 15.826 1.925 0.460 0.618 0.952 0.810 CB 1.154 22 residues pruned to eliminate duplicates Z: 30 24.532 1.958 0.562 0.709 0.931 0.690 CB 1.323 30 residues pruned to eliminate duplicates Z: 33 23.611 1.904 0.532 0.692 0.938 0.688 CA 1.280 33 residues pruned to eliminate duplicates Z: 53 25.675 1.840 0.502 0.608 0.962 0.577 CB 1.209 53 residues pruned to eliminate duplicates Z: 31 22.351 1.929 0.485 0.667 0.933 0.700 CB 1.308 31 residues pruned to eliminate duplicates Z: 37 22.176 1.918 0.456 0.623 0.944 0.583 CB 1.247 37 residues pruned to eliminate duplicates Z: 26 25.111 1.973 0.564 0.785 0.960 0.840 CA 1.319 26 residues pruned to eliminate duplicates Z: 33 22.064 1.910 0.595 0.616 0.906 0.594 CB 1.266 33 residues pruned to eliminate duplicates Z: 34 22.043 1.918 0.561 0.611 0.939 0.727 CB 1.228 34 residues pruned to eliminate duplicates Z: 28 24.947 1.952 0.584 0.755 0.963 0.815 CB 1.285 28 residues pruned to eliminate duplicates Z: 61 24.609 1.847 0.488 0.592 0.867 0.500 CB 1.222 61 residues pruned to eliminate duplicates Z: 38 23.001 1.932 0.545 0.605 0.919 0.622 CB 1.247 38 residues pruned to eliminate duplicates Z: 18 11.438 1.850 0.314 0.550 1.000 0.588 CA 1.087 18 residues pruned to eliminate duplicates Z: 40 29.334 1.940 0.608 0.686 1.000 0.641 CB 1.269 40 residues pruned to eliminate duplicates Z: 54 28.637 1.885 0.501 0.673 0.943 0.623 CB 1.257 54 residues pruned to eliminate duplicates Z: 36 24.976 1.955 0.460 0.655 0.971 0.771 CB 1.318 36 residues pruned to eliminate duplicates Z: 9 5.778 1.889 -0.132 0.589 1.000 0.750 CB 1.144 9 residues pruned to eliminate duplicates Z: 46 24.444 1.880 0.595 0.628 0.956 0.556 CB 1.127 46 residues pruned to eliminate duplicates Z: 35 28.210 1.933 0.674 0.705 0.971 0.647 CB 1.279 35 residues pruned to eliminate duplicates Z: 49 21.860 1.867 0.512 0.566 0.896 0.604 CB 1.170 49 residues pruned to eliminate duplicates Z: 12 5.902 1.825 0.806 0.383 0.636 0.455 CB 0.962 12 residues pruned to eliminate duplicates Z: 49 21.168 1.881 0.585 0.494 0.958 0.562 CB 1.075 49 residues pruned to eliminate duplicates Z: 45 23.953 1.879 0.645 0.541 0.932 0.682 CB 1.204 45 residues pruned to eliminate duplicates Z: 46 22.514 1.827 0.481 0.561 0.933 0.711 CB 1.253 46 residues pruned to eliminate duplicates Z: 48 22.921 1.853 0.476 0.554 0.894 0.766 CB 1.297 48 residues pruned to eliminate duplicates Z: 25 15.806 1.800 0.541 0.474 0.958 0.667 CB 1.247 25 residues pruned to eliminate duplicates Z: 56 25.002 1.850 0.528 0.560 0.927 0.727 CB 1.214 56 residues pruned to eliminate duplicates Z: 7 3.245 1.450 0.754 0.505 0.833 0.833 CA 0.622 Z: 6 2.519 1.545 0.436 0.283 0.800 0.400 CB 0.810 6 residues pruned to eliminate duplicates Z: 41 25.289 1.875 0.533 0.575 0.975 0.650 CB 1.328 48 residues pruned to eliminate duplicates Z: 40 25.086 1.904 0.582 0.576 0.949 0.718 CB 1.306 40 residues pruned to eliminate duplicates Z: 44 21.598 1.836 0.622 0.500 0.930 0.674 CB 1.190 44 residues pruned to eliminate duplicates Z: 36 23.284 1.909 0.542 0.577 0.971 0.629 CB 1.278 36 residues pruned to eliminate duplicates Z: 37 25.757 1.912 0.742 0.578 0.917 0.722 CB 1.305 37 residues pruned to eliminate duplicates Z: 41 22.980 1.852 0.552 0.527 0.925 0.575 CB 1.330 41 residues pruned to eliminate duplicates Z: 29 11.619 1.690 0.465 0.371 0.857 0.536 CB 1.187 29 residues pruned to eliminate duplicates Z: 36 27.632 1.934 0.597 0.603 1.000 0.743 CB 1.371 36 residues pruned to eliminate duplicates Z: 37 25.801 1.930 0.659 0.556 0.972 0.722 CB 1.307 37 residues pruned to eliminate duplicates Z: 37 25.120 1.903 0.667 0.594 0.972 0.750 CB 1.240 37 residues pruned to eliminate duplicates Z: 41 25.528 1.895 0.581 0.599 0.950 0.650 CB 1.290 41 residues pruned to eliminate duplicates Z: 34 23.446 1.925 0.632 0.576 0.939 0.758 CB 1.286 34 residues pruned to eliminate duplicates Z: 38 23.426 1.917 0.626 0.552 0.946 0.676 CB 1.242 38 residues pruned to eliminate duplicates Z: 34 26.734 1.938 0.715 0.579 0.970 0.758 CB 1.339 34 residues pruned to eliminate duplicates Z: 42 24.146 1.884 0.538 0.562 0.951 0.707 CB 1.289 42 residues pruned to eliminate duplicates Z: 41 24.033 1.871 0.696 0.564 0.925 0.625 CB 1.217 41 residues pruned to eliminate duplicates Z: 40 25.272 1.876 0.666 0.563 0.949 0.692 CB 1.284 41 residues pruned to eliminate duplicates Z: 13 19.862 1.791 0.870 0.809 1.000 0.583 CA 1.308 13 residues pruned to eliminate duplicates Z: 24 22.068 1.872 0.687 0.670 0.913 0.696 CB 1.365 24 residues pruned to eliminate duplicates Z: 46 24.242 1.843 0.689 0.524 0.911 0.689 CB 1.244 46 residues pruned to eliminate duplicates Z: 39 24.060 1.859 0.551 0.516 0.974 0.553 CB 1.368 39 residues pruned to eliminate duplicates Z: 41 25.248 1.898 0.589 0.592 0.950 0.650 CB 1.276 41 residues pruned to eliminate duplicates Z: 37 26.353 1.925 0.756 0.563 0.944 0.667 CB 1.294 37 residues pruned to eliminate duplicates Z: 40 26.526 1.919 0.721 0.536 0.897 0.564 CB 1.384 40 residues pruned to eliminate duplicates Z: 39 24.226 1.866 0.752 0.497 0.974 0.579 CB 1.238 39 residues pruned to eliminate duplicates Z: 41 26.919 1.882 0.675 0.581 0.950 0.675 CB 1.315 41 residues pruned to eliminate duplicates Z: 42 23.312 1.860 0.561 0.584 0.902 0.659 CB 1.282 42 residues pruned to eliminate duplicates Z: 48 25.329 1.851 0.641 0.560 0.915 0.553 CB 1.255 48 residues pruned to eliminate duplicates Z: 46 24.694 1.853 0.585 0.569 0.978 0.689 CB 1.199 46 residues pruned to eliminate duplicates Z: 42 26.709 1.854 0.744 0.595 0.951 0.634 CB 1.239 42 residues pruned to eliminate duplicates Z: 55 26.783 1.869 0.650 0.562 0.926 0.556 CB 1.202 54 residues pruned to eliminate duplicates Z: 7 5.878 1.652 0.850 0.249 0.833 0.333 CB 1.258 7 residues pruned to eliminate duplicates Z: 40 25.863 1.972 0.603 0.531 0.923 0.564 CB 1.376 40 residues pruned to eliminate duplicates Z: 12 11.141 1.877 0.661 0.488 0.909 0.545 CA 1.199 12 residues pruned to eliminate duplicates Z: 13 11.794 1.866 0.428 0.435 1.000 0.333 CA 1.366 13 residues pruned to eliminate duplicates Z: 56 26.279 1.952 0.601 0.514 0.855 0.491 CB 1.308 56 residues pruned to eliminate duplicates Z: 13 10.175 1.865 0.517 0.455 0.917 0.583 CA 1.186 13 residues pruned to eliminate duplicates Z: 26 20.508 1.938 0.776 0.580 0.920 0.440 CB 1.200 26 residues pruned to eliminate duplicates Z: 12 8.462 1.844 0.664 0.434 0.727 0.455 CA 1.224 12 residues pruned to eliminate duplicates Z: 18 7.616 1.808 0.543 0.264 0.765 0.588 CB 1.133 18 residues pruned to eliminate duplicates Z: 28 20.786 1.895 0.801 0.531 0.963 0.333 CB 1.180 28 residues pruned to eliminate duplicates Z: 30 22.422 1.952 0.807 0.558 0.931 0.517 CB 1.198 30 residues pruned to eliminate duplicates Z: 33 23.252 1.932 0.783 0.573 0.906 0.594 CB 1.226 33 residues pruned to eliminate duplicates Z: 31 23.349 1.910 0.720 0.592 0.933 0.633 CB 1.274 31 residues pruned to eliminate duplicates Z: 41 25.979 1.952 0.614 0.630 0.900 0.600 CB 1.281 41 residues pruned to eliminate duplicates Z: 107 44.078 1.973 0.624 0.590 0.896 0.651 CB 1.367 107 residues pruned to eliminate duplicates Z: 34 21.803 1.831 0.708 0.552 0.909 0.545 CB 1.269 34 residues pruned to eliminate duplicates Z: 33 19.718 1.937 0.835 0.515 0.875 0.562 CB 1.104 33 residues pruned to eliminate duplicates Z: 68 34.140 1.956 0.672 0.591 0.881 0.597 CB 1.328 68 residues pruned to eliminate duplicates Z: 43 27.018 1.973 0.763 0.550 0.857 0.595 CB 1.332 43 residues pruned to eliminate duplicates Z: 22 18.428 1.898 0.898 0.609 0.952 0.571 CB 1.057 22 residues pruned to eliminate duplicates Z: 39 24.373 1.959 0.755 0.603 0.842 0.447 CB 1.238 39 residues pruned to eliminate duplicates Z: 38 23.317 1.969 0.738 0.504 0.892 0.622 CB 1.250 38 residues pruned to eliminate duplicates Z: 35 18.918 1.896 0.600 0.468 0.912 0.529 CB 1.212 35 residues pruned to eliminate duplicates Z: 30 23.438 1.965 0.753 0.531 0.966 0.690 CB 1.270 30 residues pruned to eliminate duplicates Z: 106 45.229 1.996 0.675 0.600 0.886 0.629 CB 1.356 106 residues pruned to eliminate duplicates Z: 29 21.152 1.944 0.809 0.565 0.929 0.536 CB 1.149 29 residues pruned to eliminate duplicates Z: 36 20.883 1.899 0.685 0.483 0.857 0.571 CB 1.309 36 residues pruned to eliminate duplicates Z: 89 37.819 1.991 0.568 0.585 0.852 0.648 CA 1.397 89 residues pruned to eliminate duplicates Z: 89 39.825 1.981 0.555 0.588 0.909 0.659 CB 1.393 89 residues pruned to eliminate duplicates Z: 22 14.159 1.964 0.609 0.378 0.810 0.429 CB 1.375 22 residues pruned to eliminate duplicates Z: 23 19.117 2.036 0.512 0.537 0.818 0.591 CA 1.560 23 residues pruned to eliminate duplicates Z: 27 19.436 2.004 0.467 0.522 0.846 0.462 CB 1.499 27 residues pruned to eliminate duplicates Z: 27 19.737 2.026 0.401 0.533 0.846 0.577 CB 1.560 27 residues pruned to eliminate duplicates Z: 26 21.223 2.034 0.508 0.533 0.880 0.480 CB 1.522 26 residues pruned to eliminate duplicates Z: 26 16.567 1.977 0.410 0.454 0.800 0.600 CA 1.556 26 residues pruned to eliminate duplicates Z: 54 28.460 1.986 0.423 0.590 0.887 0.604 CA 1.431 54 residues pruned to eliminate duplicates Z: 51 30.921 2.030 0.488 0.610 0.880 0.720 CB 1.482 51 residues pruned to eliminate duplicates Z: 23 15.818 1.960 0.354 0.515 0.864 0.318 CA 1.449 23 residues pruned to eliminate duplicates Z: 29 18.989 1.967 0.524 0.518 0.821 0.500 CB 1.431 29 residues pruned to eliminate duplicates Z: 19 13.293 1.962 0.397 0.569 0.778 0.333 CB 1.374 19 residues pruned to eliminate duplicates Z: 49 30.715 2.002 0.531 0.653 0.875 0.646 CA 1.434 49 residues pruned to eliminate duplicates Z: 15 14.943 1.971 0.525 0.651 0.857 0.357 CB 1.346 15 residues pruned to eliminate duplicates Z: 25 14.299 1.905 0.440 0.490 0.833 0.458 CB 1.290 25 residues pruned to eliminate duplicates Z: 52 32.059 1.988 0.515 0.637 0.941 0.706 CA 1.392 52 residues pruned to eliminate duplicates Z: 43 30.805 2.017 0.472 0.699 0.929 0.714 CA 1.439 43 residues pruned to eliminate duplicates Z: 59 34.592 2.033 0.604 0.575 0.914 0.672 CA 1.418 59 residues pruned to eliminate duplicates Z: 21 15.305 1.890 0.506 0.598 0.750 0.350 CB 1.461 21 residues pruned to eliminate duplicates Z: 20 12.478 1.868 0.485 0.492 0.737 0.474 CB 1.412 20 residues pruned to eliminate duplicates Z: 31 21.379 1.962 0.531 0.665 0.867 0.700 CA 1.287 31 residues pruned to eliminate duplicates Z: 37 25.049 2.056 0.401 0.651 0.917 0.750 CA 1.373 37 residues pruned to eliminate duplicates Z: 32 24.125 1.971 0.503 0.659 0.968 0.742 CB 1.304 32 residues pruned to eliminate duplicates Z: 44 31.203 1.993 0.509 0.698 0.977 0.721 CA 1.352 44 residues pruned to eliminate duplicates Z: 42 23.625 1.922 0.534 0.576 0.927 0.659 CB 1.255 42 residues pruned to eliminate duplicates Z: 20 23.394 2.052 0.573 0.769 1.000 0.895 CA 1.310 20 residues pruned to eliminate duplicates Z: 61 38.416 1.976 0.691 0.645 0.933 0.717 CA 1.389 61 residues pruned to eliminate duplicates Z: 38 28.169 1.980 0.612 0.639 0.919 0.757 CA 1.386 38 residues pruned to eliminate duplicates Z: 40 29.842 2.025 0.639 0.626 0.897 0.744 CB 1.425 40 residues pruned to eliminate duplicates Z: 30 29.056 2.036 0.636 0.715 0.966 0.724 CA 1.380 30 residues pruned to eliminate duplicates Z: 31 32.033 2.044 0.769 0.697 0.967 0.767 CB 1.398 31 residues pruned to eliminate duplicates Z: 56 35.526 2.000 0.652 0.628 0.945 0.764 CB 1.360 56 residues pruned to eliminate duplicates Z: 38 31.085 1.998 0.693 0.638 0.919 0.649 CB 1.445 38 residues pruned to eliminate duplicates Z: 48 33.771 1.975 0.626 0.669 0.915 0.723 CB 1.434 48 residues pruned to eliminate duplicates Z: 45 29.494 2.003 0.585 0.623 0.864 0.568 CB 1.443 45 residues pruned to eliminate duplicates Z: 66 38.478 2.004 0.619 0.606 0.985 0.723 CB 1.351 66 residues pruned to eliminate duplicates Z: 72 29.968 1.944 0.556 0.593 0.831 0.507 CB 1.294 72 residues pruned to eliminate duplicates Z: 81 39.367 2.001 0.548 0.638 0.925 0.750 CB 1.350 81 residues pruned to eliminate duplicates Z: 25 34.004 2.115 0.706 0.826 0.958 0.833 CA 1.513 25 residues pruned to eliminate duplicates Z: 81 41.343 1.984 0.620 0.626 0.950 0.675 CB 1.345 81 residues pruned to eliminate duplicates Z: 36 33.391 2.096 0.613 0.678 1.000 0.714 CA 1.417 36 residues pruned to eliminate duplicates Z: 53 28.521 1.977 0.620 0.586 0.846 0.635 CB 1.343 53 residues pruned to eliminate duplicates Z: 29 29.461 1.993 0.740 0.722 0.929 0.643 CA 1.415 29 residues pruned to eliminate duplicates Z: 33 34.482 2.087 0.776 0.694 0.938 0.625 CA 1.468 33 residues pruned to eliminate duplicates Z: 43 30.272 2.059 0.519 0.581 0.952 0.714 CB 1.451 43 residues pruned to eliminate duplicates Z: 99 40.539 1.936 0.554 0.592 0.949 0.694 CB 1.313 99 residues pruned to eliminate duplicates Z: 67 34.265 1.967 0.586 0.592 0.924 0.712 CB 1.340 67 residues pruned to eliminate duplicates Z: 40 32.334 2.011 0.712 0.624 0.949 0.718 CB 1.409 40 residues pruned to eliminate duplicates Z: 66 37.822 2.009 0.585 0.624 0.985 0.692 CB 1.331 66 residues pruned to eliminate duplicates Z: 62 31.448 1.967 0.469 0.622 0.934 0.721 CB 1.329 62 residues pruned to eliminate duplicates Z: 60 36.997 2.012 0.633 0.610 0.932 0.678 CB 1.417 60 residues pruned to eliminate duplicates Z: 83 39.820 1.952 0.618 0.620 0.915 0.695 CA 1.359 83 residues pruned to eliminate duplicates Z: 67 34.473 1.965 0.650 0.576 0.879 0.636 CB 1.384 67 residues pruned to eliminate duplicates Z: 11 6.327 1.863 0.489 0.319 0.800 0.700 CB 1.100 11 residues pruned to eliminate duplicates Z: 65 34.625 1.986 0.584 0.580 0.953 0.672 CB 1.337 65 residues pruned to eliminate duplicates Z: 79 41.820 2.006 0.643 0.610 0.962 0.654 CB 1.346 79 residues pruned to eliminate duplicates Z: 30 19.813 1.918 0.539 0.596 0.897 0.690 CA 1.268 30 residues pruned to eliminate duplicates Z: 31 18.829 1.846 0.485 0.557 0.933 0.667 CB 1.271 31 residues pruned to eliminate duplicates Z: 38 23.097 1.882 0.641 0.590 0.919 0.541 CB 1.228 38 residues pruned to eliminate duplicates Z: 19 9.686 1.827 0.674 0.330 0.778 0.500 CB 1.157 19 residues pruned to eliminate duplicates Z: 38 22.791 1.892 0.655 0.561 0.892 0.595 CB 1.265 38 residues pruned to eliminate duplicates Z: 62 33.519 1.988 0.594 0.600 0.902 0.607 CB 1.366 62 residues pruned to eliminate duplicates Z: 38 24.274 1.916 0.628 0.581 0.919 0.703 CB 1.288 38 residues pruned to eliminate duplicates Z: 37 25.662 1.909 0.657 0.618 0.972 0.778 CB 1.244 37 residues pruned to eliminate duplicates Z: 38 23.654 1.912 0.556 0.593 0.946 0.676 CB 1.264 38 residues pruned to eliminate duplicates Z: 30 20.526 1.917 0.532 0.598 0.966 0.552 CB 1.224 30 residues pruned to eliminate duplicates Z: 36 22.755 1.901 0.667 0.553 0.914 0.571 CB 1.261 36 residues pruned to eliminate duplicates Z: 37 21.718 1.910 0.558 0.593 0.944 0.750 CB 1.178 37 residues pruned to eliminate duplicates Z: 33 19.136 1.881 0.413 0.526 0.938 0.688 CB 1.323 33 residues pruned to eliminate duplicates Z: 31 17.823 1.922 0.454 0.572 0.900 0.733 CB 1.207 31 residues pruned to eliminate duplicates Z: 31 19.000 1.902 0.395 0.575 0.967 0.733 CA 1.258 31 residues pruned to eliminate duplicates Z: 30 21.979 1.944 0.507 0.604 1.000 0.655 CB 1.262 30 residues pruned to eliminate duplicates Z: 44 21.925 1.862 0.542 0.521 0.884 0.628 CA 1.290 44 residues pruned to eliminate duplicates Z: 38 20.008 1.888 0.466 0.567 0.919 0.676 CB 1.213 38 residues pruned to eliminate duplicates Z: 32 22.932 1.888 0.696 0.591 0.968 0.710 CB 1.219 32 residues pruned to eliminate duplicates Z: 38 22.319 1.914 0.578 0.580 0.946 0.622 CB 1.189 38 residues pruned to eliminate duplicates Z: 45 22.172 1.842 0.522 0.529 0.909 0.705 CB 1.274 45 residues pruned to eliminate duplicates Z: 80 43.435 1.983 0.657 0.603 0.975 0.671 CA 1.383 80 residues pruned to eliminate duplicates Z: 45 21.897 1.837 0.482 0.521 0.955 0.568 CB 1.245 45 residues pruned to eliminate duplicates Z: 32 15.168 1.914 0.493 0.428 0.871 0.419 CB 1.180 32 residues pruned to eliminate duplicates Z: 32 16.018 1.927 0.553 0.458 0.839 0.484 CB 1.196 32 residues pruned to eliminate duplicates Z: 32 17.740 1.935 0.592 0.488 0.871 0.516 CB 1.202 32 residues pruned to eliminate duplicates Z: 11 4.398 1.765 0.287 0.214 0.700 0.300 CB 1.225 11 residues pruned to eliminate duplicates Z: 6 2.131 1.722 0.320 0.404 0.600 0.400 N 0.773 6 residues pruned to eliminate duplicates Z: 9 4.526 1.591 0.467 0.357 0.750 0.375 N 1.067 9 residues pruned to eliminate duplicates Z: 9 5.209 1.805 0.331 0.264 0.750 0.375 N 1.339 9 residues pruned to eliminate duplicates Z: 44 21.335 1.903 0.573 0.429 0.884 0.581 CB 1.324 44 residues pruned to eliminate duplicates Z: 41 23.783 1.954 0.647 0.448 0.925 0.600 CB 1.332 41 residues pruned to eliminate duplicates Z: 42 24.867 1.931 0.683 0.444 0.951 0.585 CB 1.330 42 residues pruned to eliminate duplicates Z: 46 23.339 1.902 0.674 0.437 0.911 0.600 CB 1.279 46 residues pruned to eliminate duplicates Z: 31 14.589 1.860 0.481 0.358 0.867 0.533 CB 1.300 31 residues pruned to eliminate duplicates Z: 52 23.799 1.868 0.672 0.418 0.863 0.569 CB 1.347 52 residues pruned to eliminate duplicates Z: 37 20.579 1.926 0.655 0.437 0.889 0.639 CB 1.292 37 residues pruned to eliminate duplicates Z: 47 21.317 1.859 0.699 0.404 0.848 0.609 CB 1.298 47 residues pruned to eliminate duplicates Z: 33 17.592 1.892 0.755 0.427 0.812 0.625 CB 1.244 33 residues pruned to eliminate duplicates Z: 42 21.596 1.915 0.719 0.445 0.878 0.561 CB 1.236 42 residues pruned to eliminate duplicates Z: 43 18.744 1.856 0.675 0.401 0.810 0.548 CB 1.276 43 residues pruned to eliminate duplicates Z: 39 19.339 1.899 0.528 0.462 0.895 0.579 CB 1.256 39 residues pruned to eliminate duplicates Z: 41 20.105 1.938 0.526 0.449 0.925 0.550 CB 1.224 41 residues pruned to eliminate duplicates Z: 47 20.257 1.929 0.551 0.407 0.848 0.543 CB 1.298 47 residues pruned to eliminate duplicates Z: 43 23.395 1.905 0.650 0.450 0.881 0.595 CB 1.372 43 residues pruned to eliminate duplicates Z: 39 20.947 1.891 0.644 0.462 0.921 0.605 CB 1.234 39 residues pruned to eliminate duplicates Z: 31 15.679 1.860 0.560 0.341 0.900 0.600 CB 1.303 31 residues pruned to eliminate duplicates Z: 42 19.182 1.891 0.585 0.398 0.878 0.561 CB 1.267 42 residues pruned to eliminate duplicates Z: 43 21.956 1.895 0.721 0.419 0.929 0.500 CB 1.218 43 residues pruned to eliminate duplicates Z: 43 19.050 1.917 0.527 0.428 0.857 0.619 CB 1.263 43 residues pruned to eliminate duplicates Z: 72 27.013 1.886 0.623 0.441 0.873 0.535 CB 1.274 72 residues pruned to eliminate duplicates Z: 38 19.590 1.902 0.584 0.473 0.919 0.676 CB 1.196 38 residues pruned to eliminate duplicates Z: 47 21.148 1.908 0.606 0.420 0.891 0.543 CB 1.240 47 residues pruned to eliminate duplicates Z: 35 16.959 1.865 0.546 0.412 0.882 0.471 CB 1.253 35 residues pruned to eliminate duplicates Z: 41 22.340 1.933 0.600 0.441 0.950 0.575 CB 1.277 41 residues pruned to eliminate duplicates Z: 43 20.176 1.880 0.611 0.413 0.881 0.595 CB 1.278 43 residues pruned to eliminate duplicates Z: 42 20.472 1.896 0.541 0.438 0.927 0.585 CB 1.259 42 residues pruned to eliminate duplicates Z: 47 22.792 1.923 0.624 0.421 0.870 0.543 CB 1.343 47 residues pruned to eliminate duplicates Z: 38 20.594 1.900 0.670 0.453 0.892 0.595 CB 1.255 38 residues pruned to eliminate duplicates Z: 20 10.849 1.789 0.720 0.294 0.737 0.421 CB 1.383 20 residues pruned to eliminate duplicates Z: 41 22.078 1.939 0.635 0.454 0.925 0.700 CB 1.247 41 residues pruned to eliminate duplicates Z: 63 29.173 1.980 0.645 0.437 0.887 0.468 CB 1.368 63 residues pruned to eliminate duplicates Z: 43 19.065 1.927 0.511 0.430 0.857 0.643 CB 1.268 43 residues pruned to eliminate duplicates Z: 43 18.900 1.906 0.528 0.438 0.857 0.738 CB 1.244 43 residues pruned to eliminate duplicates Z: 42 18.001 1.907 0.545 0.434 0.854 0.683 CB 1.197 42 residues pruned to eliminate duplicates Z: 42 21.215 1.937 0.560 0.423 0.927 0.585 CB 1.283 42 residues pruned to eliminate duplicates Z: 44 19.552 1.889 0.530 0.431 0.884 0.535 CB 1.255 44 residues pruned to eliminate duplicates Z: 86 39.580 2.013 0.756 0.477 0.894 0.612 CB 1.390 86 residues pruned to eliminate duplicates Z: 51 33.742 2.049 0.743 0.531 0.860 0.600 CB 1.507 51 residues pruned to eliminate duplicates Z: 51 38.691 2.099 0.745 0.529 0.920 0.640 CB 1.579 51 residues pruned to eliminate duplicates Z: 86 37.614 2.010 0.672 0.480 0.882 0.600 CB 1.404 86 residues pruned to eliminate duplicates Z: 85 39.548 2.029 0.683 0.492 0.893 0.619 CB 1.427 85 residues pruned to eliminate duplicates Z: 90 39.246 2.008 0.651 0.479 0.888 0.607 CB 1.444 90 residues pruned to eliminate duplicates Z: 43 33.939 2.105 0.665 0.561 0.905 0.524 CB 1.557 43 residues pruned to eliminate duplicates Z: 43 40.854 2.110 0.808 0.585 0.976 0.690 CB 1.559 43 residues pruned to eliminate duplicates Z: 43 36.265 2.089 0.732 0.544 0.952 0.571 CB 1.555 43 residues pruned to eliminate duplicates Z: 17 20.220 2.003 0.784 0.509 0.938 0.375 CB 1.495 17 residues pruned to eliminate duplicates Z: 90 42.085 2.024 0.688 0.478 0.910 0.528 CB 1.467 90 residues pruned to eliminate duplicates Z: 43 36.899 2.133 0.773 0.559 0.905 0.595 CB 1.572 43 residues pruned to eliminate duplicates Z: 17 15.858 2.045 0.775 0.469 0.812 0.438 N 1.387 17 residues pruned to eliminate duplicates Z: 84 43.415 2.045 0.788 0.493 0.892 0.627 CB 1.472 84 residues pruned to eliminate duplicates Z: 41 40.235 2.110 0.798 0.572 0.975 0.625 CA 1.604 41 residues pruned to eliminate duplicates Z: 44 38.826 2.124 0.836 0.542 0.930 0.558 CB 1.567 44 residues pruned to eliminate duplicates Z: 61 29.619 2.002 0.628 0.453 0.917 0.550 CB 1.343 61 residues pruned to eliminate duplicates Z: 85 39.080 2.017 0.706 0.479 0.905 0.595 CB 1.400 85 residues pruned to eliminate duplicates Z: 43 35.343 2.118 0.806 0.531 0.905 0.524 CB 1.528 43 residues pruned to eliminate duplicates Z: 43 39.106 2.159 0.830 0.559 0.929 0.524 CB 1.553 43 residues pruned to eliminate duplicates Z: 85 42.385 2.036 0.747 0.490 0.929 0.595 CB 1.415 85 residues pruned to eliminate duplicates Z: 14 28.669 2.184 0.801 0.727 1.000 0.692 CA 1.647 14 residues pruned to eliminate duplicates Z: 42 34.894 2.155 0.773 0.542 0.902 0.561 CB 1.517 42 residues pruned to eliminate duplicates Z: 28 31.859 2.056 0.741 0.612 0.963 0.593 CB 1.600 28 residues pruned to eliminate duplicates Z: 83 39.367 2.037 0.693 0.468 0.902 0.549 CB 1.443 83 residues pruned to eliminate duplicates Z: 12 28.984 2.230 0.838 0.878 1.000 0.727 CA 1.547 12 residues pruned to eliminate duplicates Z: 42 39.044 2.181 0.806 0.532 0.951 0.683 CB 1.576 42 residues pruned to eliminate duplicates Z: 45 36.355 2.097 0.722 0.529 1.000 0.636 CB 1.475 45 residues pruned to eliminate duplicates Z: 42 36.051 2.167 0.828 0.541 0.854 0.683 CB 1.599 42 residues pruned to eliminate duplicates Z: 34 34.920 2.099 0.895 0.553 0.970 0.697 CB 1.497 34 residues pruned to eliminate duplicates Z: 43 37.707 2.136 0.832 0.546 0.905 0.548 CB 1.570 43 residues pruned to eliminate duplicates Z: 97 39.409 1.982 0.705 0.476 0.896 0.562 CB 1.362 97 residues pruned to eliminate duplicates Z: 42 41.033 2.135 0.821 0.554 0.976 0.707 CB 1.603 42 residues pruned to eliminate duplicates Z: 50 40.156 2.108 0.795 0.492 0.980 0.510 CB 1.560 50 residues pruned to eliminate duplicates Z: 18 13.497 1.787 0.608 0.531 0.765 0.412 CA 1.446 18 residues pruned to eliminate duplicates Z: 43 36.902 2.124 0.860 0.535 0.905 0.548 CB 1.539 43 residues pruned to eliminate duplicates Z: 7 5.313 1.798 0.567 0.349 0.833 0.500 CA 1.088 7 residues pruned to eliminate duplicates Z: 90 41.265 2.023 0.760 0.478 0.888 0.629 CB 1.415 90 residues pruned to eliminate duplicates Z: 43 38.148 2.083 0.884 0.549 0.905 0.405 CB 1.580 43 residues pruned to eliminate duplicates Z: 43 35.905 2.117 0.795 0.538 0.929 0.452 CB 1.511 43 residues pruned to eliminate duplicates Z: 12 11.088 1.764 0.271 0.802 1.000 0.818 CB 1.145 12 residues pruned to eliminate duplicates Z: 10 10.734 1.855 0.334 0.718 1.000 0.778 CA 1.187 10 residues pruned to eliminate duplicates Z: 14 11.999 1.722 0.493 0.669 0.846 0.615 CB 1.308 14 residues pruned to eliminate duplicates Z: 16 9.242 1.706 0.476 0.563 0.800 0.600 CB 1.115 16 residues pruned to eliminate duplicates Z: 14 12.512 1.753 0.447 0.742 0.846 0.538 CB 1.301 14 residues pruned to eliminate duplicates Z: 15 12.431 1.720 0.603 0.747 1.000 0.643 CB 0.966 15 residues pruned to eliminate duplicates Z: 16 11.470 1.716 0.538 0.589 0.867 0.600 CB 1.188 16 residues pruned to eliminate duplicates Z: 44 27.511 1.965 0.480 0.656 0.930 0.628 CB 1.341 44 residues pruned to eliminate duplicates Z: 18 10.711 1.723 0.335 0.500 0.941 0.294 CB 1.200 18 residues pruned to eliminate duplicates Z: 53 29.226 1.958 0.445 0.618 0.981 0.731 CB 1.306 53 residues pruned to eliminate duplicates Z: 43 27.562 1.967 0.451 0.653 0.929 0.643 CB 1.392 43 residues pruned to eliminate duplicates Z: 42 26.063 1.947 0.377 0.674 0.951 0.707 CB 1.359 42 residues pruned to eliminate duplicates Z: 43 28.024 1.976 0.472 0.647 0.929 0.667 CA 1.397 43 residues pruned to eliminate duplicates Z: 27 30.347 2.118 0.583 0.772 0.962 0.846 CB 1.451 27 residues pruned to eliminate duplicates Z: 39 25.476 2.050 0.447 0.648 0.947 0.711 CB 1.281 39 residues pruned to eliminate duplicates Z: 26 29.488 2.131 0.581 0.775 0.920 0.760 CA 1.492 26 residues pruned to eliminate duplicates Z: 34 27.042 1.997 0.545 0.651 0.970 0.758 CB 1.368 34 residues pruned to eliminate duplicates Z: 33 25.008 2.017 0.513 0.640 0.906 0.562 CA 1.402 33 residues pruned to eliminate duplicates Z: 25 30.024 2.122 0.585 0.811 0.958 0.833 CA 1.450 25 residues pruned to eliminate duplicates Z: 26 36.309 2.148 0.839 0.773 0.960 0.760 CA 1.504 26 residues pruned to eliminate duplicates Z: 42 27.878 1.962 0.665 0.611 0.902 0.707 CB 1.328 42 residues pruned to eliminate duplicates Z: 26 34.143 2.143 0.719 0.783 0.960 0.720 CA 1.505 26 residues pruned to eliminate duplicates Z: 40 30.887 2.049 0.719 0.656 0.923 0.564 CB 1.316 40 residues pruned to eliminate duplicates Z: 37 35.774 2.105 0.722 0.727 0.972 0.694 CB 1.378 37 residues pruned to eliminate duplicates Z: 26 39.350 2.137 0.967 0.789 0.960 0.880 CA 1.513 26 residues pruned to eliminate duplicates Z: 44 29.643 1.963 0.653 0.644 0.884 0.558 CB 1.378 44 residues pruned to eliminate duplicates Z: 28 34.764 2.115 0.875 0.730 0.963 0.667 CB 1.425 28 residues pruned to eliminate duplicates Z: 27 31.044 2.099 0.728 0.754 0.923 0.692 CB 1.450 27 residues pruned to eliminate duplicates Z: 26 39.866 2.144 0.972 0.789 0.960 0.600 CB 1.524 26 residues pruned to eliminate duplicates Z: 26 40.030 2.151 0.944 0.789 0.960 0.760 CB 1.547 26 residues pruned to eliminate duplicates Z: 26 38.247 2.146 0.884 0.789 0.960 0.760 CB 1.528 26 residues pruned to eliminate duplicates Z: 43 33.340 1.944 0.764 0.663 0.952 0.619 CB 1.355 43 residues pruned to eliminate duplicates Z: 25 39.428 2.117 1.009 0.805 0.958 0.625 CA 1.513 25 residues pruned to eliminate duplicates Z: 42 33.371 1.992 0.717 0.665 0.976 0.683 CB 1.341 42 residues pruned to eliminate duplicates Z: 42 29.755 2.027 0.722 0.633 0.951 0.439 CB 1.236 42 residues pruned to eliminate duplicates Z: 34 28.738 1.971 0.826 0.612 0.970 0.576 CB 1.289 34 residues pruned to eliminate duplicates Z: 32 35.175 2.047 0.838 0.739 0.968 0.710 CB 1.400 32 residues pruned to eliminate duplicates Z: 39 35.875 2.083 0.857 0.694 0.947 0.658 CB 1.330 39 residues pruned to eliminate duplicates Z: 86 38.665 1.975 0.697 0.588 0.906 0.541 CB 1.270 86 residues pruned to eliminate duplicates Z: 43 31.597 2.034 0.727 0.633 0.929 0.595 CB 1.319 43 residues pruned to eliminate duplicates Z: 38 39.268 2.090 0.895 0.710 0.973 0.541 CB 1.384 38 residues pruned to eliminate duplicates Z: 14 13.304 1.952 0.548 0.547 0.923 0.462 CB 1.264 14 residues pruned to eliminate duplicates Z: 12 9.558 2.019 0.563 0.551 0.818 0.545 CB 1.062 12 residues pruned to eliminate duplicates Z: 37 33.689 2.090 0.739 0.736 0.944 0.694 CB 1.324 37 residues pruned to eliminate duplicates Z: 38 36.252 2.104 0.728 0.708 1.000 0.649 CB 1.357 38 residues pruned to eliminate duplicates Z: 15 8.815 1.946 0.239 0.549 0.857 0.571 CB 1.086 15 residues pruned to eliminate duplicates Z: 36 35.682 2.096 0.825 0.728 0.943 0.600 CB 1.362 36 residues pruned to eliminate duplicates Z: 45 30.173 2.031 0.736 0.538 0.864 0.682 CB 1.439 45 residues pruned to eliminate duplicates Z: 42 24.603 1.982 0.734 0.592 0.854 0.463 CB 1.199 42 residues pruned to eliminate duplicates Z: 79 39.205 2.014 0.649 0.583 0.923 0.667 CB 1.337 79 residues pruned to eliminate duplicates Z: 6 4.198 1.663 0.315 0.419 1.000 0.600 CA 0.934 Z: 9 5.007 1.558 0.532 0.411 0.875 0.625 CB 0.931 15 residues pruned to eliminate duplicates 6 1.954 1.352 0.829 0.253 0.600 0.200 N 0.782 ? Z: 7 4.412 1.574 0.545 0.452 1.000 0.500 CA 0.778 7 residues pruned to eliminate duplicates Z: 37 30.615 2.077 0.657 0.569 0.917 0.583 CA 1.513 37 residues pruned to eliminate duplicates Z: 38 29.559 2.037 0.705 0.572 0.892 0.703 CB 1.464 38 residues pruned to eliminate duplicates Z: 26 15.418 1.987 0.538 0.344 0.840 0.520 CA 1.423 26 residues pruned to eliminate duplicates Z: 26 16.951 2.036 0.580 0.406 0.880 0.560 CB 1.322 26 residues pruned to eliminate duplicates Z: 41 30.111 2.027 0.680 0.520 0.900 0.575 CB 1.523 41 residues pruned to eliminate duplicates Z: 40 25.588 2.021 0.589 0.519 0.872 0.564 CB 1.436 40 residues pruned to eliminate duplicates Z: 38 32.569 2.038 0.772 0.572 0.946 0.622 CB 1.461 38 residues pruned to eliminate duplicates Z: 54 26.715 2.002 0.555 0.483 0.887 0.547 CB 1.352 54 residues pruned to eliminate duplicates Z: 46 31.182 2.009 0.781 0.499 0.911 0.578 CB 1.428 46 residues pruned to eliminate duplicates Z: 38 31.209 2.040 0.711 0.564 0.973 0.649 CB 1.419 38 residues pruned to eliminate duplicates Z: 43 31.989 1.979 0.700 0.565 0.952 0.643 CB 1.447 43 residues pruned to eliminate duplicates Z: 45 29.886 2.005 0.744 0.548 0.909 0.659 CB 1.352 45 residues pruned to eliminate duplicates Z: 41 28.947 2.006 0.672 0.497 0.950 0.650 CB 1.440 41 residues pruned to eliminate duplicates Z: 40 32.234 2.031 0.655 0.556 0.974 0.615 CA 1.493 40 residues pruned to eliminate duplicates Z: 47 31.175 1.994 0.774 0.523 0.957 0.674 CB 1.328 47 residues pruned to eliminate duplicates Z: 39 29.884 2.023 0.689 0.552 0.921 0.737 CB 1.465 39 residues pruned to eliminate duplicates Z: 42 28.325 2.007 0.629 0.532 0.927 0.707 CB 1.414 42 residues pruned to eliminate duplicates Z: 39 29.494 2.030 0.646 0.549 0.921 0.579 CB 1.483 39 residues pruned to eliminate duplicates Z: 38 33.661 2.037 0.767 0.586 0.946 0.676 CB 1.496 38 residues pruned to eliminate duplicates Z: 38 30.779 2.007 0.779 0.542 0.946 0.568 CB 1.438 38 residues pruned to eliminate duplicates Z: 41 30.626 1.981 0.719 0.606 0.925 0.675 CB 1.391 41 residues pruned to eliminate duplicates Z: 34 26.766 1.947 0.780 0.523 0.909 0.576 CB 1.445 34 residues pruned to eliminate duplicates Z: 42 26.111 1.981 0.706 0.467 0.878 0.537 CB 1.422 42 residues pruned to eliminate duplicates Z: 42 26.434 2.036 0.654 0.498 0.902 0.585 CB 1.360 42 residues pruned to eliminate duplicates Z: 39 24.676 1.979 0.589 0.524 0.947 0.684 CB 1.312 39 residues pruned to eliminate duplicates Z: 39 31.103 2.030 0.826 0.536 0.868 0.684 CB 1.513 39 residues pruned to eliminate duplicates Z: 42 29.527 2.021 0.753 0.530 0.927 0.707 CB 1.364 42 residues pruned to eliminate duplicates Z: 37 31.669 2.056 0.786 0.559 0.917 0.778 CB 1.481 37 residues pruned to eliminate duplicates Z: 33 26.882 2.029 0.642 0.549 0.969 0.656 CB 1.403 33 residues pruned to eliminate duplicates Z: 24 20.249 1.969 0.709 0.591 0.913 0.696 CB 1.259 24 residues pruned to eliminate duplicates Z: 45 27.667 1.993 0.659 0.528 0.886 0.545 CB 1.384 45 residues pruned to eliminate duplicates Z: 65 33.207 2.024 0.768 0.435 0.844 0.625 CB 1.470 65 residues pruned to eliminate duplicates Z: 44 27.803 2.000 0.840 0.443 0.884 0.605 CB 1.381 44 residues pruned to eliminate duplicates Z: 80 42.912 2.050 0.771 0.500 0.886 0.582 CB 1.500 80 residues pruned to eliminate duplicates Z: 92 45.816 2.024 0.769 0.487 0.934 0.604 CB 1.454 92 residues pruned to eliminate duplicates Z: 44 32.680 2.045 0.771 0.482 0.907 0.465 CB 1.544 43 residues pruned to eliminate duplicates Z: 9 19.889 1.837 1.372 0.599 1.000 0.625 CB 1.468 9 residues pruned to eliminate duplicates Z: 42 33.111 2.075 0.810 0.495 0.927 0.561 CB 1.492 42 residues pruned to eliminate duplicates Z: 31 27.008 2.073 0.676 0.524 0.900 0.567 CB 1.541 31 residues pruned to eliminate duplicates Z: 81 44.813 2.038 0.831 0.465 0.887 0.625 CB 1.568 81 residues pruned to eliminate duplicates Z: 41 40.943 2.118 0.924 0.530 0.975 0.525 CB 1.582 42 residues pruned to eliminate duplicates Z: 7 17.111 1.989 1.160 0.573 1.000 0.667 CB 1.515 7 residues pruned to eliminate duplicates Z: 42 37.443 2.082 0.899 0.505 0.951 0.610 CB 1.546 42 residues pruned to eliminate duplicates Z: 43 32.929 2.068 0.736 0.495 0.929 0.643 CB 1.531 43 residues pruned to eliminate duplicates Z: 43 32.953 2.030 1.006 0.499 0.881 0.524 CB 1.418 43 residues pruned to eliminate duplicates Z: 41 34.534 2.095 0.779 0.535 0.900 0.625 CB 1.573 41 residues pruned to eliminate duplicates Z: 19 19.264 2.075 0.707 0.355 0.944 0.500 CB 1.586 19 residues pruned to eliminate duplicates Z: 19 18.783 1.972 0.773 0.406 0.889 0.500 CB 1.572 19 residues pruned to eliminate duplicates Z: 44 38.321 2.067 0.987 0.496 0.953 0.674 CB 1.498 43 residues pruned to eliminate duplicates Z: 6 6.756 1.581 1.177 0.298 1.000 0.800 CA 1.099 6 residues pruned to eliminate duplicates Z: 41 32.312 2.017 0.775 0.523 0.925 0.625 CB 1.508 41 residues pruned to eliminate duplicates Z: 12 28.837 2.310 0.927 0.743 0.909 0.909 CA 1.729 12 residues pruned to eliminate duplicates Z: 43 33.988 2.078 0.738 0.467 0.952 0.571 CB 1.576 43 residues pruned to eliminate duplicates Z: 42 38.012 2.084 0.985 0.496 0.927 0.610 CB 1.554 43 residues pruned to eliminate duplicates Z: 14 25.967 1.962 0.916 0.851 1.000 0.769 CA 1.418 14 residues pruned to eliminate duplicates Z: 32 30.960 2.112 0.903 0.459 0.968 0.516 CB 1.491 32 residues pruned to eliminate duplicates Z: 42 36.510 2.071 0.980 0.481 0.951 0.512 CB 1.490 42 residues pruned to eliminate duplicates Z: 30 37.250 2.143 0.947 0.585 1.000 0.655 CB 1.528 30 residues pruned to eliminate duplicates Z: 31 29.170 2.091 0.919 0.444 0.900 0.533 CB 1.562 31 residues pruned to eliminate duplicates Z: 41 32.990 2.101 0.907 0.498 0.850 0.600 CB 1.535 41 residues pruned to eliminate duplicates Z: 82 44.577 2.025 0.877 0.485 0.914 0.556 CB 1.448 82 residues pruned to eliminate duplicates Z: 45 36.818 2.048 0.986 0.467 0.955 0.591 CB 1.479 45 residues pruned to eliminate duplicates Z: 43 35.362 2.082 0.883 0.486 0.952 0.571 CB 1.483 43 residues pruned to eliminate duplicates Z: 42 36.620 2.089 0.944 0.485 0.902 0.585 CB 1.584 42 residues pruned to eliminate duplicates Z: 41 39.949 2.119 1.008 0.503 0.950 0.600 CB 1.558 41 residues pruned to eliminate duplicates Z: 40 40.677 2.080 0.952 0.531 0.949 0.564 CB 1.639 40 residues pruned to eliminate duplicates Z: 41 39.890 2.100 1.013 0.496 0.950 0.525 CB 1.577 41 residues pruned to eliminate duplicates Z: 41 39.428 2.117 0.995 0.510 0.950 0.675 CB 1.539 41 residues pruned to eliminate duplicates Z: 9 7.680 1.493 0.972 0.447 0.875 0.625 CB 1.114 9 residues pruned to eliminate duplicates Z: 43 28.835 2.047 0.932 0.422 0.833 0.429 CB 1.464 43 residues pruned to eliminate duplicates Z: 35 34.863 2.082 0.972 0.509 0.941 0.500 CB 1.534 35 residues pruned to eliminate duplicates Z: 82 50.297 2.061 0.900 0.492 0.938 0.556 CB 1.534 81 residues pruned to eliminate duplicates 1256 residues left after pruning, divided into chains as follows: A: 41 B: 13 C: 32 D: 7 E: 8 F: 40 G: 38 H: 16 I: 130 J: 39 K: 81 L: 171 M: 161 N: 139 O: 205 P: 135 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 40.94 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.505, Connect. = 0.749 for dens.mod. cycle 1 = 0.300, Contrast = 0.591, Connect. = 0.774 for dens.mod. cycle 2 = 0.300, Contrast = 0.719, Connect. = 0.795 for dens.mod. cycle 3 = 0.300, Contrast = 0.741, Connect. = 0.796 for dens.mod. cycle 4 = 0.300, Contrast = 0.758, Connect. = 0.798 for dens.mod. cycle 5 = 0.300, Contrast = 0.765, Connect. = 0.799 for dens.mod. cycle 6 = 0.300, Contrast = 0.771, Connect. = 0.800 for dens.mod. cycle 7 = 0.300, Contrast = 0.774, Connect. = 0.801 for dens.mod. cycle 8 = 0.300, Contrast = 0.776, Connect. = 0.802 for dens.mod. cycle 9 = 0.300, Contrast = 0.777, Connect. = 0.802 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6144 peaks > 0.5 sigma used to seed fragment search Space for about 2008 unique residues taking solvent into account 1443 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 12 23.749 2.005 0.786 0.853 1.000 0.818 CA 1.477 B: 15 21.606 1.972 0.691 0.844 1.000 0.786 CA 1.289 C: 23 28.233 2.018 0.546 0.882 1.000 0.864 CA 1.396 D: 12 31.601 2.189 1.063 0.842 1.000 0.818 CA 1.572 E: 13 22.068 2.038 0.698 0.853 1.000 0.833 CA 1.361 F: 11 21.306 1.888 0.636 0.844 1.000 0.800 CA 1.623 11 residues pruned to eliminate duplicates G: 13 21.564 2.026 0.751 0.825 1.000 0.500 CA 1.324 13 residues pruned to eliminate duplicates H: 13 25.277 2.030 0.804 0.811 1.000 0.833 CB 1.519 14 residues pruned to eliminate duplicates I: 13 19.705 2.003 0.597 0.840 1.000 0.833 CB 1.327 J: 14 24.301 2.047 0.907 0.840 1.000 0.846 CA 1.289 13 residues pruned to eliminate duplicates K: 13 20.364 2.018 0.601 0.856 1.000 0.833 CA 1.342 13 residues pruned to eliminate duplicates L: 12 28.656 2.126 0.947 0.861 1.000 0.727 CA 1.534 13 residues pruned to eliminate duplicates M: 6 6.112 1.573 0.334 0.816 1.000 1.000 CA 0.990 N: 11 28.797 2.192 0.959 0.938 1.000 1.000 CA 1.475 O: 15 19.750 1.714 0.805 0.862 1.000 0.929 CA 1.252 P: 13 27.910 2.051 0.831 0.847 1.000 0.833 CA 1.592 13 residues pruned to eliminate duplicates Q: 12 22.041 2.068 0.779 0.890 1.000 1.000 CA 1.300 R: 90 38.919 2.000 0.685 0.471 0.888 0.596 CB 1.420 13 residues pruned to eliminate duplicates S: 12 18.103 1.842 1.007 0.865 1.000 0.727 CB 1.081 T: 13 24.195 1.907 1.105 0.852 1.000 0.833 CB 1.287 12 residues pruned to eliminate duplicates U: 13 27.944 2.138 0.880 0.837 1.000 0.750 CA 1.501 13 residues pruned to eliminate duplicates V: 24 30.921 1.945 0.846 0.902 1.000 0.739 CA 1.280 W: 13 28.863 1.963 1.268 0.846 0.917 0.500 CB 1.518 11 residues pruned to eliminate duplicates X: 7 18.202 1.859 1.275 0.803 1.000 0.667 CA 1.348 Y: 13 26.503 1.966 1.165 0.902 1.000 0.667 CB 1.282 13 residues pruned to eliminate duplicates Z: 11 14.564 1.910 0.512 0.897 1.000 0.900 CB 1.141 Z: 11 20.913 1.953 0.470 0.873 1.000 0.600 CB 1.676 Z: 6 6.550 1.609 0.588 0.784 1.000 0.800 CA 0.893 5 residues pruned to eliminate duplicates Z: 8 13.460 1.748 1.008 0.780 1.000 0.429 O 1.132 Z: 13 31.938 2.011 1.140 0.889 1.000 0.500 CA 1.542 13 residues pruned to eliminate duplicates Z: 12 29.800 2.175 1.053 0.883 1.000 0.909 CA 1.455 12 residues pruned to eliminate duplicates Z: 14 20.096 2.012 0.587 0.862 1.000 0.846 CA 1.281 14 residues pruned to eliminate duplicates Z: 24 31.447 1.947 0.672 0.899 1.000 0.696 CB 1.440 Z: 13 27.012 2.057 0.865 0.904 1.000 0.750 CB 1.448 13 residues pruned to eliminate duplicates Z: 14 21.296 1.977 0.707 0.796 0.923 0.538 CB 1.463 14 residues pruned to eliminate duplicates Z: 24 29.444 2.032 0.602 0.864 1.000 0.826 CB 1.383 23 residues pruned to eliminate duplicates Z: 12 29.327 2.053 1.231 0.924 1.000 0.727 CA 1.356 Z: 106 50.704 2.049 0.836 0.561 0.886 0.638 CA 1.400 35 residues pruned to eliminate duplicates Z: 39 30.401 1.998 0.556 0.621 0.947 0.711 CB 1.494 13 residues pruned to eliminate duplicates Z: 7 5.664 1.735 0.043 0.887 1.000 1.000 CB 0.921 Z: 13 20.743 1.968 0.768 0.876 0.917 0.833 CB 1.365 13 residues pruned to eliminate duplicates Z: 12 16.566 1.870 0.812 0.917 1.000 1.000 CB 1.041 12 residues pruned to eliminate duplicates Z: 9 14.978 1.681 0.805 0.786 1.000 0.500 CB 1.357 9 residues pruned to eliminate duplicates Z: 6 10.415 1.956 0.390 0.826 0.800 0.600 CB 1.615 Z: 16 14.037 1.884 0.854 0.364 0.867 0.467 CB 1.386 Z: 12 32.219 2.187 1.099 0.891 1.000 1.000 CA 1.521 12 residues pruned to eliminate duplicates Z: 7 3.581 1.704 0.110 0.440 0.667 0.667 N 1.234 Z: 12 26.463 2.125 0.849 0.868 1.000 0.818 CA 1.484 12 residues pruned to eliminate duplicates Z: 11 10.720 1.688 0.363 0.859 0.900 0.800 CB 1.204 Z: 42 22.096 1.844 0.700 0.520 0.878 0.659 CB 1.229 Z: 6 6.107 1.723 0.737 0.744 0.800 0.600 CA 0.917 6 residues pruned to eliminate duplicates Z: 13 24.880 2.097 0.623 0.897 1.000 0.917 CA 1.511 13 residues pruned to eliminate duplicates Z: 12 26.047 2.138 0.794 0.855 0.909 0.636 CB 1.663 12 residues pruned to eliminate duplicates Z: 12 16.646 1.896 0.538 0.927 1.000 0.909 CB 1.206 12 residues pruned to eliminate duplicates Z: 12 15.850 1.843 0.505 0.926 1.000 0.909 CB 1.207 11 residues pruned to eliminate duplicates Z: 22 30.157 2.094 0.746 0.893 0.905 0.762 CB 1.429 23 residues pruned to eliminate duplicates Z: 14 27.279 1.969 0.996 0.838 1.000 0.692 CB 1.439 13 residues pruned to eliminate duplicates Z: 12 24.218 2.075 1.116 0.889 0.909 0.818 CB 1.317 Z: 41 36.584 1.992 0.933 0.555 0.975 0.550 CB 1.460 21 residues pruned to eliminate duplicates Z: 22 23.126 1.966 0.471 0.863 1.000 0.857 CA 1.280 Z: 13 17.519 1.910 0.858 0.829 0.917 0.583 CB 1.170 13 residues pruned to eliminate duplicates Z: 13 21.278 2.026 0.751 0.829 0.833 0.500 CA 1.563 13 residues pruned to eliminate duplicates Z: 11 17.381 1.983 0.754 0.921 1.000 0.900 CB 1.112 11 residues pruned to eliminate duplicates Z: 13 23.936 1.937 1.073 0.871 1.000 0.667 CB 1.255 13 residues pruned to eliminate duplicates Z: 13 21.154 2.003 1.031 0.821 0.917 0.833 CA 1.239 12 residues pruned to eliminate duplicates Z: 14 24.203 1.964 1.079 0.798 1.000 0.923 CA 1.267 14 residues pruned to eliminate duplicates Z: 11 22.434 2.164 0.931 0.868 0.800 0.500 CA 1.552 11 residues pruned to eliminate duplicates Z: 62 39.657 2.021 0.686 0.626 0.951 0.623 CA 1.392 66 residues pruned to eliminate duplicates Z: 12 19.896 1.960 0.871 0.826 1.000 0.727 CB 1.234 12 residues pruned to eliminate duplicates Z: 13 25.716 2.035 0.856 0.884 1.000 0.833 CB 1.421 13 residues pruned to eliminate duplicates Z: 35 16.400 1.861 0.408 0.415 0.941 0.471 CB 1.246 Z: 13 17.873 1.822 0.793 0.803 1.000 0.667 CB 1.213 13 residues pruned to eliminate duplicates Z: 11 7.719 1.890 0.524 0.578 1.000 0.600 CB 0.786 Z: 20 22.440 1.976 0.635 0.876 0.947 0.842 CA 1.222 20 residues pruned to eliminate duplicates Z: 13 11.950 1.747 0.917 0.766 0.917 0.667 CB 0.888 13 residues pruned to eliminate duplicates Z: 15 23.646 1.888 0.857 0.814 1.000 0.857 CB 1.371 15 residues pruned to eliminate duplicates Z: 23 33.270 2.049 0.772 0.836 1.000 0.636 CB 1.462 23 residues pruned to eliminate duplicates Z: 13 22.242 1.996 0.960 0.884 1.000 0.833 CA 1.185 13 residues pruned to eliminate duplicates Z: 11 25.753 2.214 0.684 0.927 1.000 0.900 CA 1.530 11 residues pruned to eliminate duplicates Z: 12 11.927 1.708 0.911 0.895 1.000 0.727 CB 0.790 Z: 23 31.751 2.029 0.733 0.881 1.000 0.682 CA 1.395 Z: 11 24.164 2.144 0.564 0.899 1.000 1.000 CA 1.629 11 residues pruned to eliminate duplicates Z: 12 24.006 2.012 0.959 0.860 1.000 0.909 CA 1.351 12 residues pruned to eliminate duplicates Z: 7 10.296 1.788 0.525 0.769 1.000 0.667 CB 1.215 7 residues pruned to eliminate duplicates Z: 11 14.641 1.804 0.321 0.870 1.000 0.700 CA 1.418 11 residues pruned to eliminate duplicates Z: 13 19.092 2.034 0.585 0.864 0.917 0.750 CA 1.367 13 residues pruned to eliminate duplicates Z: 7 5.306 1.450 0.227 0.826 1.000 1.000 CA 0.918 7 residues pruned to eliminate duplicates Z: 24 30.182 1.938 0.645 0.883 1.000 0.870 CB 1.427 23 residues pruned to eliminate duplicates Z: 13 17.247 1.763 1.037 0.826 0.917 0.667 CA 1.140 13 residues pruned to eliminate duplicates Z: 12 22.750 1.791 0.914 0.770 1.000 0.909 CA 1.575 11 residues pruned to eliminate duplicates Z: 11 11.352 1.802 0.586 0.813 0.900 0.900 CB 1.063 11 residues pruned to eliminate duplicates Z: 13 9.448 1.811 0.553 0.487 0.833 0.417 CB 1.179 Z: 35 21.021 1.863 0.678 0.541 0.912 0.500 CB 1.214 35 residues pruned to eliminate duplicates Z: 23 35.274 2.070 0.843 0.882 1.000 0.727 CB 1.425 23 residues pruned to eliminate duplicates Z: 12 25.982 2.014 1.131 0.910 0.909 0.545 CB 1.424 12 residues pruned to eliminate duplicates Z: 11 16.854 1.901 1.066 0.907 1.000 0.900 CB 0.964 Z: 23 23.815 1.957 0.390 0.898 1.000 0.909 CA 1.335 23 residues pruned to eliminate duplicates Z: 10 7.642 1.771 0.267 0.758 0.889 0.444 CB 1.016 7 residues pruned to eliminate duplicates Z: 12 23.573 2.022 0.821 0.900 0.909 0.727 N 1.516 12 residues pruned to eliminate duplicates Z: 14 18.203 1.663 0.622 0.883 1.000 0.923 CA 1.353 Z: 10 18.937 1.940 0.393 0.901 1.000 0.889 CA 1.667 11 residues pruned to eliminate duplicates Z: 70 27.493 1.976 0.567 0.394 0.870 0.551 CB 1.376 70 residues pruned to eliminate duplicates Z: 65 38.528 2.018 0.724 0.578 0.938 0.594 CA 1.370 64 residues pruned to eliminate duplicates Z: 33 39.655 2.132 0.847 0.615 1.000 0.688 CB 1.596 33 residues pruned to eliminate duplicates Z: 16 11.719 1.775 0.578 0.554 1.000 0.600 CB 1.025 11 residues pruned to eliminate duplicates Z: 14 15.423 1.887 0.489 0.643 1.000 0.769 CB 1.333 Z: 79 31.987 1.892 0.653 0.560 0.885 0.526 CB 1.235 76 residues pruned to eliminate duplicates Z: 40 24.503 1.977 0.643 0.479 0.923 0.667 CB 1.336 40 residues pruned to eliminate duplicates Z: 12 14.503 1.814 0.787 0.881 0.909 0.818 CA 1.074 12 residues pruned to eliminate duplicates Z: 9 13.752 1.839 0.379 0.730 1.000 0.500 O 1.559 Z: 24 27.332 1.927 0.717 0.880 1.000 0.826 CA 1.248 24 residues pruned to eliminate duplicates Z: 13 24.067 1.980 0.916 0.872 1.000 0.917 CB 1.335 13 residues pruned to eliminate duplicates Z: 12 12.376 1.899 0.824 0.909 1.000 0.727 CB 0.765 12 residues pruned to eliminate duplicates Z: 11 9.081 1.685 0.256 0.812 0.800 0.700 CB 1.293 11 residues pruned to eliminate duplicates Z: 10 14.328 1.922 0.255 0.891 1.000 0.778 CA 1.423 10 residues pruned to eliminate duplicates Z: 12 25.930 2.072 1.041 0.872 1.000 1.000 CA 1.348 12 residues pruned to eliminate duplicates Z: 12 13.789 1.877 0.745 0.880 0.909 0.818 CB 1.011 12 residues pruned to eliminate duplicates Z: 23 23.268 1.966 0.466 0.866 1.000 0.864 CA 1.260 23 residues pruned to eliminate duplicates Z: 31 17.677 1.911 0.514 0.463 0.867 0.567 CA 1.336 12 residues pruned to eliminate duplicates Z: 12 20.273 2.018 0.703 0.878 1.000 0.727 CA 1.290 12 residues pruned to eliminate duplicates Z: 23 30.807 2.026 0.672 0.867 1.000 0.773 CB 1.418 23 residues pruned to eliminate duplicates Z: 14 21.564 1.997 0.770 0.835 0.846 0.615 CB 1.498 14 residues pruned to eliminate duplicates Z: 12 16.064 1.945 1.057 0.835 0.909 0.818 CB 0.998 12 residues pruned to eliminate duplicates Z: 40 27.204 1.996 0.588 0.585 0.949 0.641 CB 1.335 40 residues pruned to eliminate duplicates Z: 17 22.985 1.973 0.748 0.857 0.875 0.438 CB 1.403 17 residues pruned to eliminate duplicates Z: 83 44.751 2.043 0.713 0.517 0.927 0.634 CB 1.498 46 residues pruned to eliminate duplicates Z: 11 22.856 1.996 1.268 0.915 1.000 0.900 CB 1.128 11 residues pruned to eliminate duplicates Z: 12 22.605 2.104 0.929 0.905 0.818 0.455 CB 1.461 12 residues pruned to eliminate duplicates Z: 24 31.832 2.008 0.832 0.805 0.957 0.609 CB 1.446 24 residues pruned to eliminate duplicates Z: 23 23.176 2.024 0.235 0.892 1.000 0.955 CB 1.419 23 residues pruned to eliminate duplicates Z: 14 16.275 1.921 0.400 0.858 0.923 0.769 CA 1.338 14 residues pruned to eliminate duplicates Z: 6 5.579 1.621 0.619 0.489 0.800 0.600 N 1.201 Z: 15 10.483 1.655 0.572 0.396 0.929 0.429 CB 1.295 10 residues pruned to eliminate duplicates Z: 13 22.748 1.904 0.876 0.856 1.000 0.917 CB 1.357 12 residues pruned to eliminate duplicates Z: 22 28.027 2.024 0.647 0.873 0.952 0.810 CA 1.403 22 residues pruned to eliminate duplicates Z: 12 24.119 2.050 0.800 0.907 1.000 0.909 CA 1.400 12 residues pruned to eliminate duplicates Z: 13 29.164 2.104 0.905 0.893 1.000 0.917 CA 1.507 13 residues pruned to eliminate duplicates Z: 40 23.834 1.984 0.707 0.492 0.846 0.564 CB 1.342 Z: 13 25.117 2.015 0.794 0.898 1.000 0.583 CA 1.435 13 residues pruned to eliminate duplicates Z: 13 18.236 2.063 0.372 0.880 1.000 0.833 CA 1.348 13 residues pruned to eliminate duplicates Z: 11 13.149 1.861 0.914 0.913 0.900 0.900 CB 0.918 12 residues pruned to eliminate duplicates Z: 24 25.558 1.950 0.713 0.812 0.870 0.652 CB 1.398 24 residues pruned to eliminate duplicates Z: 42 28.733 2.019 0.932 0.467 0.927 0.463 CB 1.283 13 residues pruned to eliminate duplicates Z: 39 25.574 1.995 0.557 0.601 0.921 0.553 CA 1.317 39 residues pruned to eliminate duplicates Z: 23 24.028 1.920 0.515 0.827 0.909 0.682 CB 1.460 23 residues pruned to eliminate duplicates Z: 45 26.516 1.958 0.655 0.575 0.909 0.614 CB 1.262 39 residues pruned to eliminate duplicates Z: 14 22.263 2.000 0.768 0.849 1.000 0.846 CA 1.295 14 residues pruned to eliminate duplicates Z: 23 33.871 1.976 1.051 0.884 0.909 0.364 CB 1.416 23 residues pruned to eliminate duplicates Z: 11 12.790 1.769 0.514 0.848 1.000 0.800 CB 1.121 11 residues pruned to eliminate duplicates Z: 23 25.522 2.031 0.605 0.863 0.909 0.818 CB 1.347 23 residues pruned to eliminate duplicates Z: 12 18.822 1.980 0.835 0.847 1.000 0.909 CB 1.159 12 residues pruned to eliminate duplicates Z: 10 12.607 1.901 0.531 0.674 0.889 0.778 CA 1.383 Z: 13 22.255 1.981 0.812 0.839 1.000 0.750 CA 1.337 13 residues pruned to eliminate duplicates Z: 23 28.589 1.961 0.633 0.883 1.000 0.773 CA 1.377 23 residues pruned to eliminate duplicates Z: 22 32.278 2.043 0.796 0.882 1.000 0.810 CA 1.389 22 residues pruned to eliminate duplicates Z: 49 28.241 1.953 0.668 0.621 0.896 0.479 CB 1.247 43 residues pruned to eliminate duplicates Z: 12 16.543 1.907 0.546 0.922 1.000 1.000 CB 1.190 12 residues pruned to eliminate duplicates Z: 40 21.716 1.861 0.541 0.571 0.923 0.564 CB 1.226 14 residues pruned to eliminate duplicates Z: 13 25.411 1.972 0.866 0.897 1.000 0.667 CA 1.428 13 residues pruned to eliminate duplicates Z: 18 19.226 2.077 0.827 0.379 0.941 0.353 CB 1.485 18 residues pruned to eliminate duplicates Z: 43 21.309 1.888 0.636 0.452 0.905 0.643 CB 1.236 44 residues pruned to eliminate duplicates Z: 6 7.320 1.574 0.940 0.564 0.800 0.800 CB 1.260 Z: 12 11.336 1.887 0.839 0.416 0.909 0.455 CB 1.183 Z: 6 4.373 1.873 -0.321 0.876 1.000 1.000 CB 1.118 6 residues pruned to eliminate duplicates Z: 10 4.681 1.843 0.450 0.342 0.778 0.333 CB 0.892 10 residues pruned to eliminate duplicates Z: 40 28.517 2.005 0.788 0.446 0.923 0.513 CB 1.459 40 residues pruned to eliminate duplicates Z: 23 24.324 2.040 0.254 0.881 1.000 0.909 CA 1.467 23 residues pruned to eliminate duplicates Z: 14 17.715 1.736 0.634 0.813 1.000 0.692 CA 1.320 14 residues pruned to eliminate duplicates Z: 13 20.440 1.953 0.885 0.846 0.917 0.500 CB 1.299 13 residues pruned to eliminate duplicates Z: 13 23.431 1.815 0.980 0.933 1.000 0.917 CA 1.313 12 residues pruned to eliminate duplicates Z: 23 35.244 1.999 1.081 0.874 0.955 0.727 CA 1.377 27 residues pruned to eliminate duplicates Z: 14 26.902 1.909 1.034 0.860 0.923 0.692 CB 1.530 14 residues pruned to eliminate duplicates Z: 26 9.448 1.809 0.378 0.389 0.720 0.440 CB 1.185 Z: 53 33.445 2.003 0.539 0.623 0.923 0.673 CA 1.451 41 residues pruned to eliminate duplicates Z: 6 11.684 1.981 0.866 0.764 0.800 0.600 CB 1.398 6 residues pruned to eliminate duplicates Z: 7 11.451 1.629 1.006 0.789 1.000 0.667 CB 1.109 7 residues pruned to eliminate duplicates Z: 13 18.023 1.938 0.712 0.852 1.000 0.833 CA 1.159 13 residues pruned to eliminate duplicates Z: 28 12.552 1.816 0.455 0.403 0.778 0.593 CB 1.302 26 residues pruned to eliminate duplicates Z: 23 37.496 2.028 0.953 0.863 1.000 0.500 CB 1.482 23 residues pruned to eliminate duplicates Z: 23 24.008 1.882 0.409 0.841 1.000 0.773 CA 1.439 23 residues pruned to eliminate duplicates Z: 24 33.313 2.021 0.841 0.875 1.000 0.652 CA 1.358 24 residues pruned to eliminate duplicates Z: 43 24.517 1.867 0.511 0.550 0.976 0.571 CB 1.309 40 residues pruned to eliminate duplicates Z: 12 9.874 1.471 0.574 0.810 0.909 0.818 CA 1.079 Z: 39 28.255 2.027 0.629 0.510 0.921 0.632 CB 1.492 41 residues pruned to eliminate duplicates Z: 43 38.158 2.122 0.921 0.561 0.905 0.595 CB 1.505 43 residues pruned to eliminate duplicates Z: 22 20.422 1.953 0.408 0.883 1.000 0.952 CA 1.172 21 residues pruned to eliminate duplicates Z: 22 37.304 2.020 0.999 0.893 1.000 0.524 CA 1.447 22 residues pruned to eliminate duplicates Z: 22 24.432 1.928 0.643 0.872 1.000 0.762 CB 1.226 23 residues pruned to eliminate duplicates Z: 9 10.829 1.632 0.607 0.882 1.000 0.750 CB 1.057 6 residues pruned to eliminate duplicates Z: 23 23.114 1.953 0.577 0.897 1.000 0.909 CA 1.146 23 residues pruned to eliminate duplicates Z: 37 21.657 1.941 0.583 0.472 0.944 0.583 CB 1.280 14 residues pruned to eliminate duplicates Z: 12 15.765 1.994 0.447 0.854 1.000 0.818 CB 1.217 12 residues pruned to eliminate duplicates Z: 19 10.762 1.786 0.618 0.284 0.833 0.389 CB 1.344 22 residues pruned to eliminate duplicates Z: 12 14.193 1.751 0.229 0.889 1.000 0.909 CA 1.431 12 residues pruned to eliminate duplicates Z: 35 19.436 1.895 0.474 0.635 0.882 0.647 CB 1.192 35 residues pruned to eliminate duplicates Z: 9 6.312 1.763 0.746 0.329 0.625 0.625 N 1.399 Z: 53 37.404 1.927 0.662 0.657 1.000 0.673 CA 1.399 53 residues pruned to eliminate duplicates Z: 7 3.706 1.557 0.173 0.422 1.000 0.833 CB 0.898 Z: 23 26.961 1.985 0.756 0.840 1.000 0.727 CA 1.230 23 residues pruned to eliminate duplicates Z: 43 27.658 2.007 0.562 0.578 1.000 0.762 CB 1.264 43 residues pruned to eliminate duplicates Z: 12 19.037 1.949 0.799 0.790 0.909 0.818 CA 1.396 12 residues pruned to eliminate duplicates Z: 10 11.725 1.898 0.102 0.814 1.000 0.667 CA 1.422 15 residues pruned to eliminate duplicates Z: 7 5.062 1.741 0.790 0.440 0.667 0.667 CA 1.058 Z: 7 6.462 1.728 0.189 0.839 1.000 0.833 CB 0.959 7 residues pruned to eliminate duplicates Z: 14 17.751 1.891 0.733 0.842 1.000 1.000 CB 1.120 14 residues pruned to eliminate duplicates Z: 8 5.277 1.792 0.678 0.639 0.571 0.429 CB 1.019 6 residues pruned to eliminate duplicates Z: 24 29.501 1.974 0.646 0.876 0.957 0.826 CB 1.438 24 residues pruned to eliminate duplicates Z: 48 27.179 1.917 0.648 0.600 0.915 0.511 CB 1.247 48 residues pruned to eliminate duplicates Z: 38 29.488 2.010 0.753 0.560 0.919 0.730 CB 1.413 38 residues pruned to eliminate duplicates Z: 13 22.056 1.796 0.619 0.897 1.000 0.667 CA 1.567 13 residues pruned to eliminate duplicates Z: 10 19.681 1.952 0.647 0.920 0.889 0.889 CB 1.617 10 residues pruned to eliminate duplicates Z: 23 31.042 1.981 0.943 0.844 0.955 0.682 CA 1.340 23 residues pruned to eliminate duplicates Z: 12 21.699 2.002 0.669 0.846 1.000 0.818 CA 1.454 12 residues pruned to eliminate duplicates Z: 10 11.906 1.791 0.441 0.669 1.000 0.667 CA 1.315 Z: 31 27.026 1.985 0.404 0.768 1.000 0.867 CA 1.396 31 residues pruned to eliminate duplicates Z: 10 8.148 1.761 0.509 0.453 0.889 0.556 CB 1.207 12 residues pruned to eliminate duplicates Z: 8 8.600 1.827 0.765 0.500 0.857 0.714 CB 1.176 Z: 22 20.825 2.000 0.347 0.843 1.000 0.762 CA 1.256 22 residues pruned to eliminate duplicates Z: 19 16.051 1.880 0.497 0.588 0.944 0.333 CA 1.308 19 residues pruned to eliminate duplicates Z: 11 8.313 1.607 0.323 0.698 0.900 0.600 CA 1.146 10 residues pruned to eliminate duplicates Z: 13 12.449 1.988 0.761 0.333 0.833 0.417 CB 1.477 13 residues pruned to eliminate duplicates Z: 15 11.580 1.791 0.604 0.600 0.857 0.643 CB 1.143 15 residues pruned to eliminate duplicates Z: 15 21.209 1.653 0.965 0.847 1.000 0.857 CA 1.295 14 residues pruned to eliminate duplicates Z: 38 31.254 2.039 0.637 0.631 0.946 0.730 CB 1.439 38 residues pruned to eliminate duplicates Z: 13 20.159 2.003 0.637 0.873 0.917 0.833 CB 1.410 13 residues pruned to eliminate duplicates Z: 23 25.211 1.925 0.391 0.858 1.000 0.727 CA 1.478 23 residues pruned to eliminate duplicates Z: 30 25.052 2.007 0.631 0.589 0.897 0.586 CB 1.455 30 residues pruned to eliminate duplicates Z: 9 10.500 1.682 0.443 0.915 0.875 0.875 CB 1.236 9 residues pruned to eliminate duplicates Z: 14 16.731 1.846 0.547 0.885 0.923 0.846 CA 1.271 14 residues pruned to eliminate duplicates Z: 10 9.905 1.599 0.355 0.897 0.889 0.667 CB 1.227 10 residues pruned to eliminate duplicates Z: 19 6.964 1.729 0.237 0.364 0.833 0.556 CB 1.066 19 residues pruned to eliminate duplicates Z: 22 25.299 2.004 0.459 0.893 1.000 0.810 CA 1.356 22 residues pruned to eliminate duplicates Z: 10 17.210 1.992 0.726 0.894 1.000 0.778 CB 1.197 10 residues pruned to eliminate duplicates Z: 9 8.392 1.640 0.654 0.737 0.750 0.625 CB 1.179 7 residues pruned to eliminate duplicates Z: 14 23.923 1.829 1.068 0.825 1.000 0.846 CB 1.324 14 residues pruned to eliminate duplicates Z: 23 27.288 1.956 0.909 0.862 0.818 0.455 CA 1.398 23 residues pruned to eliminate duplicates Z: 14 14.306 1.925 0.399 0.813 1.000 0.692 CA 1.122 14 residues pruned to eliminate duplicates Z: 9 12.124 1.942 0.964 0.571 0.875 0.625 CB 1.199 9 residues pruned to eliminate duplicates Z: 39 17.519 1.928 0.486 0.493 0.816 0.605 CB 1.225 39 residues pruned to eliminate duplicates Z: 23 30.429 2.013 0.947 0.849 0.909 0.727 CA 1.349 23 residues pruned to eliminate duplicates Z: 13 26.459 2.000 1.246 0.912 1.000 0.667 CA 1.204 13 residues pruned to eliminate duplicates Z: 18 16.691 2.053 0.626 0.435 0.882 0.647 CB 1.470 18 residues pruned to eliminate duplicates Z: 25 24.454 1.898 0.694 0.851 1.000 0.875 CA 1.149 25 residues pruned to eliminate duplicates Z: 86 32.932 1.982 0.449 0.565 0.906 0.600 CB 1.289 78 residues pruned to eliminate duplicates Z: 23 32.600 2.075 0.690 0.890 1.000 0.727 CB 1.426 23 residues pruned to eliminate duplicates Z: 7 11.463 1.885 0.443 0.784 1.000 0.667 CB 1.339 8 residues pruned to eliminate duplicates Z: 18 10.744 1.774 0.681 0.306 0.765 0.353 CB 1.419 18 residues pruned to eliminate duplicates Z: 13 19.155 1.830 0.503 0.855 1.000 0.750 CA 1.483 13 residues pruned to eliminate duplicates Z: 11 15.089 1.985 0.461 0.917 1.000 0.900 CB 1.162 11 residues pruned to eliminate duplicates Z: 10 14.322 2.008 0.187 0.828 0.889 0.667 CA 1.698 10 residues pruned to eliminate duplicates Z: 9 4.121 1.743 0.356 0.380 0.625 0.500 CB 1.120 Z: 49 21.704 1.830 0.508 0.558 0.896 0.688 CB 1.197 16 residues pruned to eliminate duplicates Z: 8 6.881 1.732 0.057 0.881 1.000 1.000 CB 1.029 8 residues pruned to eliminate duplicates Z: 24 35.863 1.993 1.020 0.888 0.957 0.696 CB 1.398 24 residues pruned to eliminate duplicates Z: 6 7.363 1.798 0.388 0.830 0.800 0.600 CA 1.240 6 residues pruned to eliminate duplicates Z: 35 26.474 2.002 0.746 0.515 0.882 0.647 CB 1.451 35 residues pruned to eliminate duplicates Z: 23 27.517 1.946 0.640 0.873 1.000 0.864 CA 1.339 23 residues pruned to eliminate duplicates Z: 10 13.621 1.964 0.664 0.892 1.000 0.778 CB 0.998 10 residues pruned to eliminate duplicates Z: 43 27.111 1.931 0.668 0.511 0.929 0.667 CA 1.383 29 residues pruned to eliminate duplicates Z: 24 25.793 1.949 0.671 0.857 0.957 0.826 CA 1.272 24 residues pruned to eliminate duplicates Z: 23 23.857 1.912 0.519 0.881 0.864 0.818 CA 1.469 23 residues pruned to eliminate duplicates Z: 14 24.258 2.009 0.835 0.853 1.000 0.692 CA 1.350 14 residues pruned to eliminate duplicates Z: 10 9.415 1.944 0.119 0.608 1.000 0.667 CA 1.302 4 residues pruned to eliminate duplicates Z: 13 16.514 1.958 0.408 0.912 0.917 0.917 CA 1.335 13 residues pruned to eliminate duplicates Z: 8 5.331 1.550 0.586 0.576 0.857 0.571 CB 0.889 Z: 20 18.678 1.922 0.332 0.919 1.000 0.842 CA 1.179 20 residues pruned to eliminate duplicates Z: 23 32.944 1.998 1.024 0.825 0.955 0.545 CA 1.373 23 residues pruned to eliminate duplicates Z: 13 18.678 1.822 0.594 0.897 0.917 0.917 CA 1.450 13 residues pruned to eliminate duplicates Z: 22 32.896 2.035 0.862 0.854 0.952 0.667 CA 1.469 22 residues pruned to eliminate duplicates Z: 7 8.009 1.904 0.209 0.738 0.833 0.833 O 1.377 7 residues pruned to eliminate duplicates Z: 16 7.025 1.827 0.305 0.307 0.800 0.267 CB 1.178 Z: 15 9.093 1.760 0.176 0.531 0.857 0.500 CB 1.329 13 residues pruned to eliminate duplicates Z: 39 27.356 1.989 0.717 0.582 0.842 0.737 CB 1.426 39 residues pruned to eliminate duplicates Z: 11 9.715 1.731 0.592 0.508 0.900 0.400 CB 1.228 11 residues pruned to eliminate duplicates Z: 13 19.219 1.979 0.576 0.842 1.000 0.917 CB 1.325 13 residues pruned to eliminate duplicates Z: 11 13.470 1.983 0.638 0.498 1.000 0.700 CA 1.315 11 residues pruned to eliminate duplicates Z: 10 9.364 1.759 0.337 0.595 1.000 0.778 CA 1.212 10 residues pruned to eliminate duplicates Z: 23 30.809 1.963 0.974 0.858 0.955 0.682 CA 1.307 23 residues pruned to eliminate duplicates Z: 23 26.994 1.922 0.898 0.851 1.000 0.500 CB 1.168 23 residues pruned to eliminate duplicates Z: 33 14.586 1.823 0.473 0.526 0.875 0.531 CB 1.070 18 residues pruned to eliminate duplicates Z: 15 17.972 1.935 0.819 0.789 0.857 0.786 CB 1.235 15 residues pruned to eliminate duplicates Z: 38 22.265 1.816 0.628 0.595 0.919 0.730 CB 1.230 38 residues pruned to eliminate duplicates Z: 41 18.940 1.824 0.523 0.482 0.950 0.600 CB 1.156 41 residues pruned to eliminate duplicates Z: 13 8.257 1.615 0.312 0.576 0.917 0.583 CB 1.141 Z: 26 15.306 1.783 0.515 0.560 0.840 0.560 CB 1.273 Z: 14 21.584 1.787 0.875 0.843 1.000 0.769 CA 1.330 14 residues pruned to eliminate duplicates Z: 13 14.457 1.766 0.571 0.875 0.917 0.667 CA 1.193 13 residues pruned to eliminate duplicates Z: 8 11.495 1.619 0.729 0.790 1.000 0.571 CA 1.203 8 residues pruned to eliminate duplicates Z: 7 6.662 1.802 0.125 0.635 1.000 0.833 CB 1.182 Z: 10 5.321 1.675 0.092 0.584 0.778 0.556 CB 1.150 10 residues pruned to eliminate duplicates Z: 23 35.746 2.023 0.966 0.874 1.000 0.773 CA 1.395 23 residues pruned to eliminate duplicates Z: 8 4.419 1.783 0.483 0.411 0.714 0.429 CB 0.971 7 residues pruned to eliminate duplicates Z: 12 19.415 1.965 0.870 0.839 1.000 0.545 CB 1.189 12 residues pruned to eliminate duplicates Z: 23 34.047 2.027 0.839 0.891 1.000 0.682 CB 1.400 23 residues pruned to eliminate duplicates Z: 12 14.827 1.866 0.658 0.878 1.000 0.909 CB 1.048 12 residues pruned to eliminate duplicates Z: 23 34.796 1.978 0.955 0.899 1.000 0.773 CA 1.371 23 residues pruned to eliminate duplicates Z: 11 10.935 1.590 0.405 0.876 0.900 0.800 CB 1.250 11 residues pruned to eliminate duplicates Z: 77 35.887 1.920 0.574 0.573 0.947 0.566 CB 1.340 69 residues pruned to eliminate duplicates Z: 13 13.213 1.916 0.400 0.791 1.000 0.833 CB 1.101 13 residues pruned to eliminate duplicates Z: 23 33.678 2.019 0.832 0.893 1.000 0.727 CA 1.394 23 residues pruned to eliminate duplicates Z: 10 18.857 1.888 0.420 0.884 1.000 1.000 CB 1.693 10 residues pruned to eliminate duplicates Z: 45 25.466 1.960 0.703 0.513 0.909 0.614 CA 1.249 45 residues pruned to eliminate duplicates Z: 34 19.282 1.921 0.778 0.487 0.848 0.394 CB 1.174 34 residues pruned to eliminate duplicates 7 1.321 1.547 0.262 0.343 0.833 0.500 CB 0.393 ? Z: 38 29.640 2.019 0.714 0.546 0.946 0.676 CB 1.423 38 residues pruned to eliminate duplicates Z: 11 23.723 1.916 0.874 0.933 1.000 0.600 CB 1.458 11 residues pruned to eliminate duplicates Z: 34 23.140 1.883 0.719 0.543 0.909 0.667 CB 1.312 34 residues pruned to eliminate duplicates Z: 41 29.550 2.028 0.843 0.467 0.975 0.475 CB 1.326 42 residues pruned to eliminate duplicates Z: 11 18.441 1.946 0.563 0.938 1.000 0.500 CB 1.334 11 residues pruned to eliminate duplicates Z: 22 32.173 2.068 0.734 0.895 1.000 0.857 CA 1.404 22 residues pruned to eliminate duplicates Z: 23 22.394 1.916 0.479 0.843 0.955 0.682 CB 1.315 23 residues pruned to eliminate duplicates Z: 7 8.012 1.785 0.396 0.620 1.000 0.500 CB 1.172 7 residues pruned to eliminate duplicates Z: 21 26.192 1.927 0.852 0.878 0.950 0.600 CB 1.254 22 residues pruned to eliminate duplicates Z: 13 23.823 1.771 0.924 0.875 1.000 0.917 CA 1.468 13 residues pruned to eliminate duplicates Z: 23 35.157 2.084 0.759 0.866 1.000 0.773 CB 1.496 23 residues pruned to eliminate duplicates Z: 36 17.904 1.892 0.560 0.425 0.886 0.514 CB 1.252 10 residues pruned to eliminate duplicates Z: 11 14.470 1.672 0.663 0.703 1.000 0.600 CA 1.368 10 residues pruned to eliminate duplicates Z: 13 19.911 1.980 0.615 0.826 1.000 0.833 CB 1.356 13 residues pruned to eliminate duplicates Z: 11 8.139 1.509 0.640 0.864 0.800 0.600 CA 0.953 11 residues pruned to eliminate duplicates Z: 13 14.104 1.961 0.384 0.864 0.917 0.833 CA 1.200 13 residues pruned to eliminate duplicates Z: 15 11.770 1.781 0.851 0.848 0.857 0.714 CB 0.826 15 residues pruned to eliminate duplicates Z: 13 22.369 1.940 0.795 0.839 1.000 0.833 CB 1.385 13 residues pruned to eliminate duplicates Z: 8 10.243 1.634 0.908 0.731 0.857 0.286 CB 1.177 8 residues pruned to eliminate duplicates Z: 23 21.628 1.916 0.298 0.879 0.955 0.864 CA 1.408 23 residues pruned to eliminate duplicates Z: 9 13.907 1.913 0.751 0.810 0.875 0.625 CA 1.281 9 residues pruned to eliminate duplicates Z: 27 10.048 1.900 0.596 0.244 0.731 0.462 CB 1.196 27 residues pruned to eliminate duplicates Z: 23 32.097 2.032 0.747 0.888 1.000 0.818 CA 1.389 23 residues pruned to eliminate duplicates Z: 18 14.530 2.008 0.696 0.450 0.882 0.412 CB 1.234 18 residues pruned to eliminate duplicates Z: 22 15.969 1.770 0.707 0.528 0.905 0.571 CB 1.240 22 residues pruned to eliminate duplicates Z: 22 25.631 2.042 0.443 0.891 1.000 0.857 CA 1.365 22 residues pruned to eliminate duplicates Z: 26 25.003 1.979 0.531 0.650 1.000 0.680 CB 1.435 26 residues pruned to eliminate duplicates Z: 24 23.461 1.965 0.427 0.817 0.913 0.696 CB 1.450 24 residues pruned to eliminate duplicates Z: 15 13.127 1.865 0.350 0.672 0.929 0.643 CB 1.281 15 residues pruned to eliminate duplicates Z: 23 20.155 1.920 0.452 0.846 0.955 0.727 CA 1.199 22 residues pruned to eliminate duplicates Z: 42 39.036 2.112 0.895 0.499 0.951 0.585 CB 1.603 43 residues pruned to eliminate duplicates Z: 21 24.221 2.078 0.356 0.881 1.000 0.850 CA 1.391 21 residues pruned to eliminate duplicates Z: 6 8.261 1.849 0.821 0.651 0.800 0.800 CB 1.191 6 residues pruned to eliminate duplicates Z: 19 6.667 1.779 0.099 0.217 0.833 0.556 CA 1.346 19 residues pruned to eliminate duplicates Z: 20 10.626 1.714 0.523 0.537 0.737 0.316 CB 1.222 20 residues pruned to eliminate duplicates Z: 82 48.539 2.050 0.877 0.522 0.914 0.593 CB 1.501 81 residues pruned to eliminate duplicates Z: 41 27.864 2.050 0.868 0.451 0.900 0.400 CB 1.344 40 residues pruned to eliminate duplicates Z: 34 37.122 2.056 0.803 0.697 1.000 0.515 CA 1.457 34 residues pruned to eliminate duplicates Z: 37 24.192 2.010 0.873 0.476 0.889 0.500 CB 1.235 38 residues pruned to eliminate duplicates Z: 7 6.826 1.602 0.194 0.640 1.000 0.500 CA 1.278 7 residues pruned to eliminate duplicates Z: 10 12.995 1.972 0.124 0.907 1.000 1.000 CB 1.390 10 residues pruned to eliminate duplicates Z: 33 12.222 1.776 0.767 0.348 0.719 0.500 CB 1.130 37 residues pruned to eliminate duplicates Z: 17 9.250 1.771 0.586 0.373 0.812 0.375 CB 1.160 17 residues pruned to eliminate duplicates Z: 28 13.960 1.833 0.458 0.399 0.926 0.556 CB 1.208 27 residues pruned to eliminate duplicates Z: 42 24.776 1.874 0.484 0.636 0.927 0.732 CB 1.322 49 residues pruned to eliminate duplicates Z: 24 26.606 1.958 0.550 0.848 0.913 0.609 CB 1.486 24 residues pruned to eliminate duplicates Z: 7 9.014 1.614 0.437 0.750 1.000 0.667 CB 1.270 7 residues pruned to eliminate duplicates Z: 7 11.700 1.689 0.757 0.818 1.000 0.667 CB 1.221 7 residues pruned to eliminate duplicates Z: 7 4.523 1.738 0.088 0.568 0.833 0.500 CB 1.098 7 residues pruned to eliminate duplicates Z: 23 25.943 1.973 0.554 0.841 1.000 0.682 CB 1.345 23 residues pruned to eliminate duplicates Z: 11 8.176 1.787 0.807 0.434 0.700 0.600 CB 1.225 Z: 24 23.924 1.979 0.899 0.615 0.913 0.478 CB 1.304 26 residues pruned to eliminate duplicates Z: 14 11.699 1.694 0.483 0.645 0.846 0.692 CB 1.334 14 residues pruned to eliminate duplicates Z: 24 32.543 2.023 0.802 0.824 1.000 0.522 CB 1.406 24 residues pruned to eliminate duplicates Z: 19 12.411 1.910 0.455 0.392 0.833 0.611 CB 1.417 19 residues pruned to eliminate duplicates Z: 37 24.549 1.921 0.500 0.595 0.972 0.667 CB 1.334 38 residues pruned to eliminate duplicates Z: 43 29.373 2.009 0.593 0.675 0.976 0.643 CB 1.235 39 residues pruned to eliminate duplicates Z: 23 31.610 1.986 0.614 0.876 1.000 0.818 CA 1.528 23 residues pruned to eliminate duplicates Z: 12 14.227 1.910 0.823 0.483 0.909 0.636 CB 1.379 12 residues pruned to eliminate duplicates Z: 9 8.413 1.799 0.528 0.518 0.875 0.875 CB 1.214 Z: 8 12.963 1.806 0.596 0.803 1.000 0.714 CA 1.305 8 residues pruned to eliminate duplicates Z: 36 26.272 1.985 0.669 0.515 0.914 0.629 CB 1.445 36 residues pruned to eliminate duplicates Z: 15 4.032 1.652 0.111 0.259 0.786 0.357 CB 0.985 15 residues pruned to eliminate duplicates Z: 23 27.283 1.925 0.541 0.860 0.955 0.773 CA 1.511 23 residues pruned to eliminate duplicates Z: 15 10.367 1.831 0.998 0.373 0.857 0.429 CB 1.012 15 residues pruned to eliminate duplicates Z: 6 4.888 1.571 0.445 0.474 0.800 0.600 CB 1.236 Z: 22 30.643 1.994 0.748 0.881 1.000 0.714 CB 1.389 22 residues pruned to eliminate duplicates Z: 27 18.236 1.991 0.660 0.390 0.885 0.577 CA 1.374 13 residues pruned to eliminate duplicates Z: 12 25.796 2.071 0.829 0.845 1.000 0.545 CA 1.526 12 residues pruned to eliminate duplicates Z: 15 16.731 1.742 0.786 0.841 1.000 0.929 CB 1.071 15 residues pruned to eliminate duplicates Z: 13 13.300 1.752 0.689 0.814 0.917 0.833 CB 1.078 13 residues pruned to eliminate duplicates Z: 16 21.304 1.905 1.037 0.469 1.000 0.467 CA 1.463 16 residues pruned to eliminate duplicates Z: 11 20.989 1.923 0.844 0.914 1.000 1.000 CB 1.324 11 residues pruned to eliminate duplicates Z: 45 21.547 1.807 0.358 0.554 0.955 0.614 CB 1.316 42 residues pruned to eliminate duplicates Z: 6 2.380 1.588 0.475 0.752 0.800 0.800 CB 0.454 Z: 8 4.622 1.531 0.366 0.577 0.857 0.714 CB 0.905 8 residues pruned to eliminate duplicates Z: 16 9.494 1.756 0.332 0.625 0.867 0.533 CB 1.075 16 residues pruned to eliminate duplicates Z: 15 8.544 1.738 0.271 0.620 0.786 0.357 CB 1.174 15 residues pruned to eliminate duplicates Z: 13 13.502 1.842 0.877 0.903 0.917 0.833 CB 0.877 13 residues pruned to eliminate duplicates Z: 44 19.974 1.866 0.555 0.435 0.837 0.558 CB 1.341 44 residues pruned to eliminate duplicates Z: 6 8.518 1.776 0.379 0.773 0.800 0.400 CB 1.528 6 residues pruned to eliminate duplicates Z: 82 43.678 2.034 0.756 0.502 0.926 0.605 CB 1.465 82 residues pruned to eliminate duplicates Z: 41 24.486 1.875 0.504 0.615 0.925 0.625 CB 1.331 41 residues pruned to eliminate duplicates Z: 15 10.495 1.793 0.320 0.627 0.929 0.786 CB 1.132 15 residues pruned to eliminate duplicates Z: 24 21.616 1.903 0.565 0.845 1.000 0.826 CA 1.125 24 residues pruned to eliminate duplicates Z: 8 6.721 1.607 0.564 0.668 0.857 0.571 CB 1.009 8 residues pruned to eliminate duplicates Z: 8 6.538 1.626 0.490 0.769 1.000 0.714 CB 0.804 8 residues pruned to eliminate duplicates Z: 14 18.857 1.732 0.975 0.779 0.923 0.462 CB 1.295 14 residues pruned to eliminate duplicates Z: 13 8.764 1.821 0.316 0.465 0.917 0.750 CB 1.194 13 residues pruned to eliminate duplicates Z: 6 5.139 1.888 1.012 0.352 0.800 0.000 CB 0.888 5 residues pruned to eliminate duplicates Z: 11 13.131 1.747 0.476 0.847 0.800 0.700 N 1.494 11 residues pruned to eliminate duplicates Z: 12 20.487 1.867 1.017 0.906 1.000 0.727 CB 1.167 12 residues pruned to eliminate duplicates Z: 13 13.748 1.864 0.803 0.855 1.000 0.667 CB 0.871 11 residues pruned to eliminate duplicates Z: 22 23.821 1.914 0.712 0.836 0.857 0.667 CB 1.386 22 residues pruned to eliminate duplicates Z: 9 12.243 1.947 0.399 0.682 0.875 0.750 CB 1.536 9 residues pruned to eliminate duplicates Z: 8 8.359 1.759 0.551 0.478 0.857 0.571 CB 1.382 7 residues pruned to eliminate duplicates Z: 7 7.480 1.505 0.405 0.851 1.000 0.667 CA 1.069 7 residues pruned to eliminate duplicates Z: 13 18.538 1.838 0.715 0.830 0.917 0.583 CB 1.392 13 residues pruned to eliminate duplicates Z: 13 17.823 1.855 0.809 0.858 1.000 0.917 CA 1.129 13 residues pruned to eliminate duplicates Z: 36 20.748 1.893 0.672 0.451 0.886 0.600 CB 1.315 36 residues pruned to eliminate duplicates Z: 41 32.624 2.012 0.789 0.504 0.975 0.500 CB 1.464 22 residues pruned to eliminate duplicates Z: 26 12.462 1.811 0.309 0.423 0.800 0.600 CB 1.423 30 residues pruned to eliminate duplicates Z: 42 29.373 1.978 0.790 0.554 0.951 0.683 CB 1.292 42 residues pruned to eliminate duplicates Z: 9 13.079 1.763 0.818 0.650 1.000 0.750 O 1.255 9 residues pruned to eliminate duplicates Z: 19 12.945 1.880 0.537 0.392 0.889 0.389 CA 1.331 19 residues pruned to eliminate duplicates Z: 24 26.331 1.920 0.666 0.839 0.870 0.609 CB 1.474 24 residues pruned to eliminate duplicates Z: 13 15.517 1.866 0.722 0.616 0.917 0.500 CA 1.363 13 residues pruned to eliminate duplicates Z: 11 18.139 1.900 0.791 0.898 0.900 0.400 CB 1.340 11 residues pruned to eliminate duplicates Z: 13 12.407 1.769 0.246 0.891 1.000 1.000 CA 1.168 13 residues pruned to eliminate duplicates Z: 75 36.872 1.982 0.762 0.543 0.905 0.514 CB 1.300 64 residues pruned to eliminate duplicates Z: 23 26.828 2.049 0.556 0.882 0.955 0.682 CB 1.361 23 residues pruned to eliminate duplicates Z: 7 4.582 1.732 0.146 0.390 1.000 0.333 CB 1.059 7 residues pruned to eliminate duplicates Z: 6 7.294 1.698 0.613 0.641 0.800 0.800 CA 1.304 Z: 39 28.652 1.987 0.629 0.546 0.921 0.711 CA 1.490 39 residues pruned to eliminate duplicates Z: 6 7.581 1.788 0.859 0.631 0.800 0.600 CB 1.127 Z: 23 30.968 2.009 0.702 0.881 1.000 0.682 CA 1.398 23 residues pruned to eliminate duplicates Z: 24 31.181 1.933 0.864 0.895 1.000 0.435 CB 1.294 24 residues pruned to eliminate duplicates Z: 10 4.405 1.468 0.368 0.240 0.889 0.444 CB 1.111 Z: 24 29.132 1.941 0.736 0.877 1.000 0.913 CB 1.309 24 residues pruned to eliminate duplicates Z: 23 27.338 1.983 0.728 0.848 0.955 0.773 CA 1.323 23 residues pruned to eliminate duplicates Z: 38 26.910 2.007 0.652 0.522 0.919 0.622 CB 1.421 38 residues pruned to eliminate duplicates Z: 12 6.281 1.843 0.163 0.544 0.727 0.455 CB 1.164 12 residues pruned to eliminate duplicates Z: 78 37.723 1.992 0.627 0.626 0.909 0.714 CB 1.296 78 residues pruned to eliminate duplicates Z: 13 17.225 1.938 0.477 0.851 1.000 0.833 CB 1.286 13 residues pruned to eliminate duplicates Z: 12 10.237 1.695 0.332 0.596 0.909 0.364 CB 1.371 12 residues pruned to eliminate duplicates Z: 13 21.069 1.871 0.584 0.871 1.000 0.667 CA 1.496 13 residues pruned to eliminate duplicates Z: 8 13.245 2.021 0.514 0.672 1.000 0.286 N 1.397 8 residues pruned to eliminate duplicates Z: 9 6.456 1.553 0.474 0.407 0.875 0.875 CB 1.256 5 residues pruned to eliminate duplicates Z: 18 7.633 1.789 0.382 0.313 0.765 0.353 CB 1.204 15 residues pruned to eliminate duplicates Z: 12 21.977 1.928 0.840 0.847 1.000 0.909 CA 1.387 12 residues pruned to eliminate duplicates Z: 21 27.571 1.913 0.835 0.867 0.950 0.750 CA 1.353 21 residues pruned to eliminate duplicates Z: 6 9.100 1.777 0.519 0.813 1.000 0.800 CB 1.148 6 residues pruned to eliminate duplicates Z: 11 36.572 2.215 1.303 0.937 1.000 0.500 CB 1.578 11 residues pruned to eliminate duplicates Z: 29 13.411 1.926 0.518 0.351 0.857 0.571 CB 1.189 29 residues pruned to eliminate duplicates Z: 6 5.945 1.702 0.268 0.733 1.000 1.000 CB 0.999 Z: 37 18.651 1.935 0.592 0.377 0.944 0.417 CB 1.218 36 residues pruned to eliminate duplicates Z: 41 29.294 2.005 0.723 0.492 0.900 0.650 CB 1.503 41 residues pruned to eliminate duplicates Z: 12 15.913 1.854 1.064 0.468 1.000 0.636 CB 1.296 Z: 41 29.137 2.042 0.723 0.479 0.900 0.550 CB 1.486 41 residues pruned to eliminate duplicates Z: 23 20.914 1.981 0.143 0.867 1.000 0.773 CA 1.441 23 residues pruned to eliminate duplicates Z: 47 18.698 1.884 0.543 0.411 0.826 0.674 CB 1.259 47 residues pruned to eliminate duplicates Z: 48 25.711 1.795 0.621 0.550 0.936 0.532 CB 1.311 48 residues pruned to eliminate duplicates Z: 23 26.638 1.973 0.403 0.878 1.000 0.818 CA 1.489 23 residues pruned to eliminate duplicates Z: 52 32.135 2.041 0.788 0.488 0.863 0.431 CB 1.446 52 residues pruned to eliminate duplicates Z: 7 4.162 1.782 0.238 0.238 0.833 0.333 CB 1.253 7 residues pruned to eliminate duplicates Z: 10 5.976 1.744 0.381 0.411 0.889 0.667 CB 1.021 Z: 11 8.879 1.713 0.449 0.588 0.900 0.700 N 1.155 11 residues pruned to eliminate duplicates Z: 23 30.471 1.973 0.924 0.847 0.955 0.409 CA 1.331 23 residues pruned to eliminate duplicates Z: 9 9.973 1.618 0.507 0.855 1.000 0.875 CB 1.067 Z: 6 8.473 1.727 0.713 0.727 0.800 0.200 CA 1.306 6 residues pruned to eliminate duplicates Z: 6 2.216 1.319 0.527 0.467 0.600 0.600 CA 0.848 Z: 16 6.203 1.629 0.474 0.374 0.733 0.600 CB 1.041 16 residues pruned to eliminate duplicates Z: 15 16.740 1.927 0.676 0.553 0.929 0.643 CA 1.417 21 residues pruned to eliminate duplicates Z: 23 25.325 1.946 0.675 0.881 1.000 0.818 CA 1.200 23 residues pruned to eliminate duplicates Z: 10 3.908 1.730 0.304 0.300 0.667 0.444 CB 1.083 10 residues pruned to eliminate duplicates Z: 15 12.475 1.962 0.563 0.428 0.857 0.714 CA 1.366 15 residues pruned to eliminate duplicates Z: 8 5.729 1.435 0.906 0.443 1.000 0.571 CA 0.840 Z: 18 7.924 1.755 0.282 0.387 0.765 0.412 CA 1.260 18 residues pruned to eliminate duplicates Z: 11 12.958 1.884 0.534 0.637 1.000 0.800 CA 1.248 12 residues pruned to eliminate duplicates Z: 7 3.823 1.673 -0.043 0.521 0.833 0.500 CB 1.145 Z: 20 13.036 1.957 0.347 0.434 1.000 0.632 CB 1.215 20 residues pruned to eliminate duplicates Z: 65 27.300 1.979 0.578 0.391 0.875 0.422 CB 1.401 65 residues pruned to eliminate duplicates Z: 9 8.460 1.949 0.448 0.313 1.000 0.500 CB 1.304 9 residues pruned to eliminate duplicates Z: 86 39.068 2.021 0.715 0.496 0.882 0.576 CB 1.391 86 residues pruned to eliminate duplicates Z: 13 19.898 1.841 0.605 0.913 0.917 0.750 CA 1.500 13 residues pruned to eliminate duplicates Z: 10 6.923 1.492 0.083 0.814 1.000 0.778 CA 1.087 10 residues pruned to eliminate duplicates Z: 23 26.922 1.907 0.578 0.852 0.955 0.727 CB 1.478 23 residues pruned to eliminate duplicates Z: 6 18.029 2.075 1.177 0.808 1.000 0.600 CB 1.364 6 residues pruned to eliminate duplicates Z: 24 35.030 1.965 0.896 0.880 1.000 0.739 CA 1.420 24 residues pruned to eliminate duplicates Z: 36 35.104 2.015 0.907 0.686 0.943 0.629 CB 1.381 36 residues pruned to eliminate duplicates Z: 6 10.510 1.857 0.383 0.726 1.000 0.800 CB 1.493 Z: 84 40.178 2.045 0.704 0.491 0.928 0.554 CB 1.376 84 residues pruned to eliminate duplicates Z: 41 30.829 1.980 0.775 0.564 0.900 0.625 CB 1.449 41 residues pruned to eliminate duplicates Z: 23 32.366 2.012 0.991 0.882 0.955 0.773 CA 1.306 23 residues pruned to eliminate duplicates Z: 12 8.622 1.887 0.729 0.378 0.818 0.455 CA 1.109 12 residues pruned to eliminate duplicates Z: 23 21.739 1.923 0.446 0.834 1.000 0.727 CA 1.249 23 residues pruned to eliminate duplicates Z: 14 17.875 1.708 0.775 0.805 0.923 0.538 CA 1.358 14 residues pruned to eliminate duplicates Z: 30 25.534 1.925 0.714 0.667 0.897 0.690 CA 1.374 30 residues pruned to eliminate duplicates Z: 10 10.178 1.777 0.446 0.663 0.889 0.667 CA 1.277 10 residues pruned to eliminate duplicates Z: 12 13.027 1.954 0.745 0.930 1.000 0.727 CB 0.805 12 residues pruned to eliminate duplicates Z: 14 16.308 1.782 0.667 0.829 1.000 0.692 CA 1.146 14 residues pruned to eliminate duplicates Z: 6 2.917 1.583 0.094 0.432 0.800 0.400 CB 1.010 Z: 20 10.857 1.794 0.225 0.454 0.947 0.474 CB 1.254 6 residues pruned to eliminate duplicates Z: 23 21.895 1.890 0.357 0.849 0.955 0.864 CA 1.414 23 residues pruned to eliminate duplicates Z: 21 29.263 1.979 0.724 0.867 1.000 0.800 CB 1.402 21 residues pruned to eliminate duplicates Z: 16 14.540 1.696 0.493 0.838 0.933 0.667 CB 1.188 16 residues pruned to eliminate duplicates Z: 23 23.935 2.044 0.414 0.871 0.955 0.773 CB 1.349 23 residues pruned to eliminate duplicates Z: 6 4.124 1.536 0.005 0.628 1.000 0.600 CB 1.059 Z: 18 24.403 1.945 0.877 0.875 0.882 0.647 CB 1.336 18 residues pruned to eliminate duplicates Z: 23 29.369 2.002 0.868 0.850 0.955 0.682 CA 1.299 23 residues pruned to eliminate duplicates Z: 6 8.489 1.716 0.475 0.561 1.000 0.600 CA 1.414 6 residues pruned to eliminate duplicates Z: 11 10.935 1.530 0.601 0.849 1.000 0.800 CA 1.047 11 residues pruned to eliminate duplicates Z: 37 26.320 1.908 0.503 0.694 0.944 0.778 CB 1.356 35 residues pruned to eliminate duplicates Z: 45 36.633 2.075 1.039 0.469 0.886 0.636 CB 1.520 46 residues pruned to eliminate duplicates Z: 12 15.303 1.829 0.919 0.869 1.000 0.909 CB 0.961 12 residues pruned to eliminate duplicates Z: 14 7.641 1.580 0.317 0.633 0.923 0.462 CA 0.974 14 residues pruned to eliminate duplicates Z: 14 18.457 1.748 0.700 0.879 0.923 0.692 CA 1.353 14 residues pruned to eliminate duplicates Z: 6 4.912 1.688 1.072 0.550 0.800 0.600 CB 0.748 Z: 12 14.653 1.940 0.857 0.529 0.909 0.727 CA 1.311 11 residues pruned to eliminate duplicates Z: 15 6.227 1.751 0.549 0.348 0.714 0.429 CB 1.013 15 residues pruned to eliminate duplicates Z: 22 31.239 2.035 0.774 0.862 1.000 0.667 CA 1.386 22 residues pruned to eliminate duplicates Z: 19 11.007 1.839 0.576 0.444 0.889 0.722 CA 1.066 19 residues pruned to eliminate duplicates Z: 7 8.003 1.670 0.810 0.797 0.833 0.667 CB 1.001 7 residues pruned to eliminate duplicates Z: 24 27.635 1.913 0.823 0.862 1.000 0.783 CA 1.214 24 residues pruned to eliminate duplicates Z: 7 4.383 1.551 0.671 0.429 0.667 0.333 N 1.114 6 residues pruned to eliminate duplicates Z: 6 4.547 1.581 0.438 0.646 0.800 0.800 N 0.976 Z: 85 41.743 2.035 0.760 0.481 0.917 0.464 CB 1.414 85 residues pruned to eliminate duplicates Z: 44 15.882 1.865 0.426 0.360 0.907 0.419 CB 1.167 37 residues pruned to eliminate duplicates Z: 40 19.806 1.858 0.494 0.474 0.923 0.564 CB 1.270 40 residues pruned to eliminate duplicates Z: 6 3.910 1.435 0.230 0.632 0.800 0.400 O 1.094 Z: 15 11.631 1.834 0.405 0.582 0.786 0.500 CB 1.419 15 residues pruned to eliminate duplicates Z: 24 12.068 1.900 0.462 0.388 0.913 0.652 CB 1.117 24 residues pruned to eliminate duplicates Z: 8 7.149 1.656 0.487 0.575 0.857 0.714 CB 1.191 6 residues pruned to eliminate duplicates Z: 24 25.445 1.966 0.605 0.881 1.000 0.913 CA 1.218 24 residues pruned to eliminate duplicates Z: 10 11.759 1.959 0.057 0.916 1.000 1.000 CB 1.336 10 residues pruned to eliminate duplicates Z: 31 11.736 1.788 0.253 0.355 0.933 0.500 CB 1.199 28 residues pruned to eliminate duplicates Z: 12 13.974 1.815 0.619 0.597 0.909 0.455 CB 1.438 12 residues pruned to eliminate duplicates Z: 26 12.836 1.874 0.442 0.411 0.840 0.520 CA 1.241 26 residues pruned to eliminate duplicates Z: 7 4.133 1.621 0.312 0.478 0.833 0.333 CB 0.973 6 residues pruned to eliminate duplicates Z: 11 14.771 1.943 0.446 0.889 1.000 1.000 CB 1.197 11 residues pruned to eliminate duplicates Z: 44 37.411 2.121 0.805 0.550 0.953 0.605 CB 1.489 44 residues pruned to eliminate duplicates Z: 24 14.509 1.862 0.609 0.445 0.783 0.478 CA 1.366 24 residues pruned to eliminate duplicates Z: 12 20.498 1.990 0.602 0.868 1.000 0.909 CA 1.417 12 residues pruned to eliminate duplicates Z: 41 38.840 2.110 0.946 0.502 0.950 0.525 CB 1.571 41 residues pruned to eliminate duplicates Z: 43 16.677 1.855 0.478 0.399 0.833 0.476 CB 1.253 39 residues pruned to eliminate duplicates Z: 78 35.847 1.898 0.572 0.615 0.935 0.532 CB 1.313 78 residues pruned to eliminate duplicates Z: 10 13.657 2.004 0.631 0.512 0.889 0.667 CA 1.549 10 residues pruned to eliminate duplicates Z: 18 11.052 1.811 0.628 0.347 0.824 0.588 CB 1.303 18 residues pruned to eliminate duplicates Z: 17 12.796 1.940 0.542 0.423 0.875 0.500 CB 1.324 17 residues pruned to eliminate duplicates Z: 33 25.524 2.026 0.571 0.659 0.938 0.781 CB 1.304 33 residues pruned to eliminate duplicates Z: 6 6.970 1.617 0.907 0.605 1.000 0.400 N 0.915 Z: 22 10.404 1.877 0.516 0.405 0.905 0.619 CA 0.975 22 residues pruned to eliminate duplicates Z: 29 26.912 1.988 0.717 0.603 0.929 0.714 CB 1.455 29 residues pruned to eliminate duplicates Z: 18 10.438 1.876 0.808 0.398 0.824 0.471 CB 1.009 18 residues pruned to eliminate duplicates Z: 75 28.438 1.932 0.554 0.438 0.905 0.568 CB 1.296 88 residues pruned to eliminate duplicates Z: 19 13.761 1.928 0.844 0.470 0.833 0.556 CB 1.129 19 residues pruned to eliminate duplicates Z: 24 30.880 1.908 0.993 0.873 0.957 0.739 CA 1.289 24 residues pruned to eliminate duplicates Z: 8 5.683 1.454 0.231 0.599 0.857 0.714 CA 1.273 8 residues pruned to eliminate duplicates Z: 7 6.999 1.547 0.643 0.734 0.833 0.667 CB 1.093 7 residues pruned to eliminate duplicates Z: 13 21.158 2.036 0.764 0.886 0.917 0.833 CB 1.338 13 residues pruned to eliminate duplicates Z: 16 10.009 1.847 0.386 0.520 0.800 0.667 CB 1.237 16 residues pruned to eliminate duplicates Z: 10 6.686 1.511 0.661 0.468 0.778 0.556 CB 1.179 7 residues pruned to eliminate duplicates Z: 6 5.712 1.812 0.622 0.810 0.600 0.400 CA 1.106 6 residues pruned to eliminate duplicates Z: 46 30.728 1.972 0.754 0.484 0.911 0.511 CB 1.478 46 residues pruned to eliminate duplicates Z: 7 9.233 1.784 0.617 0.837 1.000 0.833 CB 0.978 7 residues pruned to eliminate duplicates Z: 9 8.214 1.682 0.840 0.810 0.875 0.500 CB 0.819 9 residues pruned to eliminate duplicates Z: 7 5.385 1.924 0.300 0.727 1.000 0.667 CB 0.716 7 residues pruned to eliminate duplicates Z: 12 6.450 1.622 0.580 0.309 0.909 0.455 CB 1.032 12 residues pruned to eliminate duplicates Z: 14 13.286 1.855 0.664 0.841 0.923 0.769 CB 0.964 14 residues pruned to eliminate duplicates Z: 13 19.318 1.827 0.724 0.873 1.000 0.917 CB 1.289 13 residues pruned to eliminate duplicates Z: 38 26.490 1.951 0.635 0.601 0.919 0.649 CA 1.350 38 residues pruned to eliminate duplicates Z: 7 5.868 1.570 0.570 0.678 0.833 0.500 CA 0.990 7 residues pruned to eliminate duplicates Z: 24 28.128 1.896 0.737 0.830 1.000 0.652 CB 1.339 24 residues pruned to eliminate duplicates Z: 10 20.657 1.959 0.634 0.903 0.889 0.778 CB 1.724 10 residues pruned to eliminate duplicates Z: 52 25.990 1.854 0.720 0.428 0.922 0.431 CB 1.334 60 residues pruned to eliminate duplicates Z: 28 17.143 1.940 0.638 0.441 0.926 0.667 CB 1.192 26 residues pruned to eliminate duplicates Z: 20 25.227 2.014 0.609 0.915 1.000 0.842 CA 1.262 20 residues pruned to eliminate duplicates Z: 24 35.382 1.990 1.033 0.880 0.957 0.565 CA 1.382 24 residues pruned to eliminate duplicates Z: 42 24.724 1.909 0.578 0.566 0.902 0.585 CB 1.333 42 residues pruned to eliminate duplicates Z: 34 15.084 1.906 0.600 0.373 0.879 0.576 CB 1.123 29 residues pruned to eliminate duplicates Z: 22 11.620 1.848 0.520 0.314 0.810 0.381 CA 1.370 22 residues pruned to eliminate duplicates Z: 48 18.569 1.901 0.556 0.397 0.809 0.511 CB 1.263 48 residues pruned to eliminate duplicates Z: 16 10.952 1.779 0.513 0.472 0.867 0.400 CB 1.247 15 residues pruned to eliminate duplicates Z: 8 8.352 1.568 0.509 0.805 1.000 0.714 CB 1.023 8 residues pruned to eliminate duplicates Z: 13 23.192 1.865 1.002 0.879 1.000 0.917 CB 1.300 Z: 22 19.757 1.955 0.408 0.854 0.952 0.762 CA 1.215 22 residues pruned to eliminate duplicates Z: 14 18.171 1.823 0.609 0.896 1.000 0.769 CB 1.231 14 residues pruned to eliminate duplicates Z: 23 16.202 1.985 0.688 0.567 0.818 0.682 CB 1.180 23 residues pruned to eliminate duplicates Z: 23 32.551 2.025 0.802 0.846 0.955 0.455 CA 1.480 23 residues pruned to eliminate duplicates Z: 8 3.944 1.641 -0.104 0.483 1.000 0.429 CB 1.031 8 residues pruned to eliminate duplicates Z: 6 2.061 1.511 0.443 0.861 0.800 0.800 CB 0.388 Z: 19 16.354 2.010 0.590 0.414 0.889 0.667 CA 1.484 19 residues pruned to eliminate duplicates Z: 20 9.979 1.696 0.366 0.437 0.947 0.526 CB 1.113 20 residues pruned to eliminate duplicates Z: 13 21.745 1.891 0.850 0.893 1.000 0.750 CB 1.288 13 residues pruned to eliminate duplicates Z: 11 15.781 1.899 0.491 0.930 1.000 1.000 CB 1.233 11 residues pruned to eliminate duplicates Z: 6 5.619 1.492 0.869 0.441 0.800 0.800 C 1.198 Z: 107 40.091 2.011 0.698 0.467 0.877 0.519 CB 1.344 107 residues pruned to eliminate duplicates Z: 11 8.892 1.718 0.757 0.362 0.900 0.400 CB 1.201 10 residues pruned to eliminate duplicates Z: 8 7.121 1.701 0.675 0.689 0.714 0.571 CA 1.112 8 residues pruned to eliminate duplicates Z: 8 3.568 1.649 0.093 0.318 0.714 0.286 CB 1.281 Z: 17 15.682 1.943 0.568 0.471 0.875 0.625 CB 1.515 17 residues pruned to eliminate duplicates Z: 9 2.910 1.215 0.380 0.367 0.875 0.250 C 0.809 Z: 43 22.195 1.889 0.590 0.436 0.905 0.690 CB 1.347 43 residues pruned to eliminate duplicates 6 1.723 1.349 0.561 0.298 0.600 0.400 N 0.764 ? Z: 10 15.825 1.977 0.749 0.897 1.000 0.778 CB 1.092 10 residues pruned to eliminate duplicates Z: 6 7.147 1.882 0.503 0.437 1.000 0.800 CB 1.206 Z: 20 11.583 1.802 0.439 0.524 0.895 0.579 CB 1.118 20 residues pruned to eliminate duplicates Z: 38 28.837 2.033 0.753 0.615 0.892 0.676 CA 1.338 38 residues pruned to eliminate duplicates Z: 7 6.226 1.700 0.492 0.751 0.667 0.333 O 1.201 7 residues pruned to eliminate duplicates Z: 34 16.258 1.879 0.420 0.446 0.909 0.667 CB 1.234 35 residues pruned to eliminate duplicates Z: 7 3.607 1.668 0.491 0.083 0.833 0.333 CA 1.218 7 residues pruned to eliminate duplicates Z: 13 23.467 1.828 1.095 0.893 1.000 0.750 CA 1.270 13 residues pruned to eliminate duplicates Z: 14 18.024 1.761 0.767 0.756 0.923 0.692 N 1.385 14 residues pruned to eliminate duplicates Z: 6 8.409 1.788 0.458 0.831 0.800 0.400 CA 1.355 6 residues pruned to eliminate duplicates Z: 24 13.937 1.952 0.635 0.541 0.826 0.522 CB 1.059 28 residues pruned to eliminate duplicates Z: 12 13.017 1.554 0.604 0.855 1.000 0.818 N 1.162 12 residues pruned to eliminate duplicates Z: 9 8.704 1.742 0.555 0.706 0.750 0.625 CB 1.255 9 residues pruned to eliminate duplicates Z: 26 13.412 1.807 0.493 0.552 0.840 0.520 CB 1.125 26 residues pruned to eliminate duplicates Z: 20 10.574 1.552 0.433 0.489 0.895 0.474 CB 1.232 20 residues pruned to eliminate duplicates Z: 8 8.060 1.831 0.612 0.529 0.857 0.429 CB 1.169 Z: 6 5.650 1.296 0.387 0.785 1.000 0.600 CB 1.094 6 residues pruned to eliminate duplicates Z: 90 39.306 2.005 0.720 0.453 0.910 0.506 CB 1.393 90 residues pruned to eliminate duplicates Z: 11 18.798 1.888 0.848 0.860 1.000 0.900 CB 1.252 11 residues pruned to eliminate duplicates Z: 12 8.462 1.549 0.312 0.786 0.909 0.818 CA 1.074 12 residues pruned to eliminate duplicates Z: 13 10.750 1.785 0.728 0.365 0.833 0.333 CA 1.395 13 residues pruned to eliminate duplicates Z: 10 7.622 1.673 0.748 0.440 0.889 0.556 CA 1.040 Z: 32 15.830 1.890 0.532 0.415 0.871 0.581 CB 1.233 37 residues pruned to eliminate duplicates Z: 6 2.539 1.468 0.529 0.384 0.600 0.200 CB 0.954 Z: 7 3.312 1.332 0.376 0.683 0.833 0.667 N 0.748 7 residues pruned to eliminate duplicates Z: 6 4.073 1.527 0.479 0.591 0.800 0.800 CB 0.925 Z: 37 20.097 1.964 0.646 0.447 0.806 0.583 CB 1.358 37 residues pruned to eliminate duplicates Z: 23 29.444 2.053 0.620 0.834 1.000 0.727 CB 1.415 23 residues pruned to eliminate duplicates Z: 20 9.992 1.835 0.513 0.371 0.895 0.526 CB 1.059 20 residues pruned to eliminate duplicates Z: 23 37.877 2.030 0.995 0.898 1.000 0.682 CA 1.426 23 residues pruned to eliminate duplicates Z: 21 26.719 2.049 0.450 0.945 1.000 1.000 CA 1.392 21 residues pruned to eliminate duplicates Z: 38 24.594 1.915 0.550 0.605 0.919 0.595 CA 1.341 38 residues pruned to eliminate duplicates Z: 11 6.257 1.808 0.326 0.466 0.800 0.400 CB 1.068 11 residues pruned to eliminate duplicates Z: 6 4.550 1.711 0.086 0.615 0.800 0.800 N 1.228 Z: 10 10.916 1.572 0.602 0.798 0.889 0.556 CB 1.253 12 residues pruned to eliminate duplicates Z: 14 12.218 1.686 0.328 0.869 1.000 0.923 CA 1.105 14 residues pruned to eliminate duplicates Z: 6 4.836 1.476 0.310 0.793 1.000 0.800 CA 0.865 6 residues pruned to eliminate duplicates Z: 8 6.177 1.361 0.662 0.684 1.000 0.714 CA 0.872 8 residues pruned to eliminate duplicates Z: 13 12.228 1.473 0.643 0.844 0.917 0.917 CA 1.183 13 residues pruned to eliminate duplicates Z: 6 5.644 1.828 0.095 0.483 1.000 1.000 CB 1.283 Z: 21 14.722 1.950 0.546 0.379 0.950 0.450 CB 1.307 24 residues pruned to eliminate duplicates Z: 6 3.448 1.437 0.509 0.493 1.000 0.600 CB 0.716 Z: 11 4.337 1.611 0.364 0.339 0.800 0.500 CB 0.930 Z: 24 24.317 1.990 0.754 0.644 0.913 0.696 CA 1.391 24 residues pruned to eliminate duplicates Z: 36 21.146 1.891 0.490 0.584 0.914 0.686 CB 1.279 36 residues pruned to eliminate duplicates Z: 42 24.116 1.884 0.533 0.602 0.902 0.585 CB 1.311 43 residues pruned to eliminate duplicates Z: 88 39.785 1.951 0.710 0.557 0.943 0.563 CB 1.283 88 residues pruned to eliminate duplicates Z: 9 11.079 1.620 0.736 0.856 1.000 0.750 CB 1.027 9 residues pruned to eliminate duplicates Z: 9 6.329 1.699 0.210 0.641 0.875 0.750 CB 1.090 9 residues pruned to eliminate duplicates Z: 9 14.054 2.030 0.376 0.740 1.000 0.875 CA 1.434 9 residues pruned to eliminate duplicates Z: 49 28.766 1.943 0.639 0.590 0.958 0.500 CB 1.248 49 residues pruned to eliminate duplicates Z: 6 4.424 1.311 0.394 0.589 1.000 0.800 C 0.994 Z: 26 8.452 1.630 0.313 0.369 0.840 0.400 CB 1.082 25 residues pruned to eliminate duplicates Z: 11 22.537 2.014 1.016 0.901 0.900 0.800 CB 1.391 12 residues pruned to eliminate duplicates Z: 7 4.754 1.620 -0.030 0.624 0.833 0.500 CA 1.319 Z: 10 6.541 1.686 0.528 0.349 0.778 0.667 CA 1.281 10 residues pruned to eliminate duplicates Z: 6 2.044 1.316 0.355 0.314 0.800 0.600 C 0.788 Z: 11 11.089 1.849 0.709 0.431 0.900 0.600 CB 1.325 11 residues pruned to eliminate duplicates Z: 37 22.839 1.902 0.649 0.569 0.944 0.694 CB 1.202 37 residues pruned to eliminate duplicates Z: 27 33.078 2.065 0.818 0.658 0.962 0.692 CB 1.552 27 residues pruned to eliminate duplicates Z: 7 8.657 1.948 0.521 0.390 1.000 0.667 CB 1.340 7 residues pruned to eliminate duplicates Z: 7 4.831 1.666 0.498 0.528 0.833 0.667 CB 0.923 5 residues pruned to eliminate duplicates Z: 8 6.595 1.736 0.757 0.308 0.857 0.286 CB 1.180 8 residues pruned to eliminate duplicates Z: 12 14.489 1.828 0.573 0.848 0.818 0.545 CB 1.377 12 residues pruned to eliminate duplicates Z: 11 2.474 1.278 0.534 0.172 0.600 0.400 N 0.989 Z: 18 5.088 1.616 0.430 0.289 0.824 0.353 CB 0.822 18 residues pruned to eliminate duplicates Z: 8 7.681 1.542 0.438 0.776 0.857 0.857 CB 1.197 8 residues pruned to eliminate duplicates Z: 13 14.790 1.860 0.466 0.834 1.000 0.750 CA 1.173 13 residues pruned to eliminate duplicates Z: 22 31.319 1.996 0.707 0.901 1.000 0.762 CA 1.433 22 residues pruned to eliminate duplicates 6 1.916 1.458 0.871 0.382 0.400 0.400 CB 0.891 ? Z: 7 5.997 1.638 0.870 0.430 0.833 0.333 CA 1.031 7 residues pruned to eliminate duplicates Z: 20 18.692 1.995 0.351 0.904 1.000 0.947 CA 1.133 20 residues pruned to eliminate duplicates Z: 7 3.086 1.410 0.765 0.421 0.833 0.500 CB 0.660 Z: 10 5.696 1.839 0.389 0.369 0.889 0.444 CB 0.962 24 residues pruned to eliminate duplicates Z: 22 10.614 1.706 0.446 0.552 0.857 0.381 CB 1.041 18 residues pruned to eliminate duplicates Z: 22 24.273 1.930 0.579 0.849 0.952 0.857 CA 1.352 22 residues pruned to eliminate duplicates Z: 7 8.581 1.758 0.926 0.825 0.833 0.667 CB 0.937 Z: 13 21.600 1.888 0.829 0.896 1.000 0.917 CB 1.293 13 residues pruned to eliminate duplicates Z: 12 11.159 1.787 0.318 0.826 1.000 0.818 CA 1.078 12 residues pruned to eliminate duplicates Z: 22 17.090 1.830 0.420 0.807 0.857 0.667 CA 1.280 22 residues pruned to eliminate duplicates Z: 16 19.866 1.983 0.451 0.822 1.000 0.800 CA 1.348 16 residues pruned to eliminate duplicates Z: 9 2.145 1.620 0.036 0.297 0.750 0.625 CB 0.756 Z: 7 4.476 1.509 0.725 0.410 0.667 0.667 CB 1.157 7 residues pruned to eliminate duplicates Z: 18 8.413 1.906 0.757 0.373 0.706 0.471 CB 0.989 18 residues pruned to eliminate duplicates Z: 23 18.909 1.961 0.201 0.852 0.955 0.864 CA 1.326 23 residues pruned to eliminate duplicates Z: 10 5.273 1.702 0.380 0.386 0.778 0.667 CB 1.086 10 residues pruned to eliminate duplicates Z: 12 10.423 1.823 0.451 0.801 0.909 0.727 CB 1.005 12 residues pruned to eliminate duplicates Z: 6 3.714 1.689 0.538 0.423 0.600 0.200 CB 1.155 6 residues pruned to eliminate duplicates Z: 9 6.675 1.925 0.407 0.644 0.875 0.750 CB 0.870 Z: 41 33.791 2.053 1.000 0.502 0.950 0.550 CB 1.367 39 residues pruned to eliminate duplicates Z: 14 12.550 1.763 0.607 0.575 0.769 0.692 N 1.486 14 residues pruned to eliminate duplicates Z: 13 12.466 1.959 0.640 0.520 0.833 0.250 CB 1.318 13 residues pruned to eliminate duplicates Z: 11 8.734 1.740 0.623 0.438 0.800 0.600 CB 1.304 Z: 12 11.997 1.559 0.408 0.856 1.000 0.636 CA 1.215 12 residues pruned to eliminate duplicates Z: 41 25.403 1.981 0.818 0.534 0.900 0.600 CA 1.198 41 residues pruned to eliminate duplicates Z: 13 11.150 1.765 0.403 0.726 1.000 0.833 CB 1.060 13 residues pruned to eliminate duplicates Z: 41 26.192 2.002 0.720 0.450 0.900 0.450 CB 1.407 41 residues pruned to eliminate duplicates Z: 42 23.130 1.898 0.461 0.579 0.927 0.610 CB 1.302 42 residues pruned to eliminate duplicates Z: 23 15.574 1.816 0.478 0.644 0.818 0.727 CB 1.322 23 residues pruned to eliminate duplicates Z: 25 16.867 1.895 0.624 0.450 0.875 0.542 CB 1.346 25 residues pruned to eliminate duplicates Z: 32 17.640 1.963 0.379 0.471 0.968 0.645 CA 1.245 32 residues pruned to eliminate duplicates Z: 13 14.556 1.857 0.374 0.876 1.000 0.917 CB 1.197 13 residues pruned to eliminate duplicates Z: 6 8.049 1.676 0.952 0.494 1.000 0.800 CA 1.106 6 residues pruned to eliminate duplicates 6 0.661 1.289 0.275 0.300 0.800 0.200 CB 0.281 ? Z: 12 12.833 1.745 0.834 0.852 0.909 0.909 CB 0.984 12 residues pruned to eliminate duplicates Z: 20 14.400 1.801 0.566 0.447 0.947 0.684 CB 1.306 31 residues pruned to eliminate duplicates Z: 35 29.539 1.978 0.789 0.722 0.941 0.559 CB 1.244 35 residues pruned to eliminate duplicates Z: 26 13.800 1.827 0.505 0.474 0.800 0.480 CB 1.288 78 residues pruned to eliminate duplicates Z: 7 7.038 1.524 0.663 0.832 0.667 0.333 CB 1.277 7 residues pruned to eliminate duplicates Z: 35 17.709 1.881 0.447 0.455 0.912 0.588 CB 1.282 35 residues pruned to eliminate duplicates Z: 20 21.488 1.919 0.531 0.919 0.947 0.842 CA 1.249 20 residues pruned to eliminate duplicates Z: 57 20.403 1.766 0.541 0.609 0.875 0.571 CB 1.032 58 residues pruned to eliminate duplicates Z: 6 2.398 1.487 0.332 0.246 0.800 0.600 CB 0.907 5 residues pruned to eliminate duplicates Z: 22 28.097 2.066 0.526 0.888 1.000 0.857 CA 1.402 22 residues pruned to eliminate duplicates Z: 11 12.281 1.591 0.390 0.843 1.000 0.500 N 1.308 11 residues pruned to eliminate duplicates Z: 43 28.248 1.955 0.790 0.445 0.952 0.452 CB 1.383 43 residues pruned to eliminate duplicates Z: 8 9.344 1.788 0.456 0.632 1.000 0.857 CA 1.198 8 residues pruned to eliminate duplicates Z: 12 4.957 1.533 0.361 0.320 0.818 0.364 C 1.067 Z: 6 14.778 1.799 1.575 0.705 1.000 0.600 CB 1.184 6 residues pruned to eliminate duplicates Z: 17 12.202 1.674 0.686 0.650 0.875 0.812 CA 1.074 17 residues pruned to eliminate duplicates Z: 6 4.427 1.611 -0.004 0.817 1.000 0.800 CB 0.937 6 residues pruned to eliminate duplicates Z: 11 8.110 1.468 0.571 0.507 1.000 0.400 CA 1.104 Z: 6 2.465 1.664 0.791 0.249 0.600 0.400 CB 0.824 6 residues pruned to eliminate duplicates Z: 42 31.707 1.961 0.835 0.497 0.951 0.585 CA 1.451 43 residues pruned to eliminate duplicates Z: 17 16.037 1.906 0.798 0.540 0.812 0.438 CB 1.385 17 residues pruned to eliminate duplicates Z: 13 15.217 1.902 0.737 0.853 1.000 0.750 CB 0.983 13 residues pruned to eliminate duplicates Z: 9 4.861 1.421 0.975 0.425 0.750 0.625 CB 0.883 Z: 35 15.785 1.920 0.389 0.430 0.853 0.647 CA 1.279 35 residues pruned to eliminate duplicates Z: 11 9.281 1.657 0.637 0.700 0.800 0.300 CB 1.126 8 residues pruned to eliminate duplicates 6 0.368 1.391 -0.382 0.293 0.800 0.400 CB 0.302 ? Z: 21 13.810 1.740 0.641 0.512 0.850 0.600 CB 1.257 21 residues pruned to eliminate duplicates Z: 10 2.407 1.421 -0.117 0.230 0.778 0.222 N 1.125 Z: 16 13.893 1.825 0.570 0.528 0.867 0.600 CA 1.406 16 residues pruned to eliminate duplicates Z: 6 6.957 1.533 0.739 0.656 0.800 0.800 C 1.262 Z: 8 3.331 1.537 0.489 0.655 1.000 0.571 CB 0.476 5 residues pruned to eliminate duplicates Z: 8 3.531 1.586 0.980 0.840 0.857 0.714 CB 0.370 Z: 36 29.592 2.069 0.910 0.455 0.914 0.657 CB 1.450 36 residues pruned to eliminate duplicates Z: 15 7.352 1.582 0.542 0.319 0.714 0.429 CA 1.377 15 residues pruned to eliminate duplicates Z: 8 3.487 1.407 0.678 0.239 0.714 0.571 CB 1.057 6 residues pruned to eliminate duplicates Z: 10 5.113 1.632 0.624 0.367 0.778 0.556 CB 0.953 10 residues pruned to eliminate duplicates Z: 13 24.977 1.976 1.032 0.900 1.000 0.750 CA 1.283 13 residues pruned to eliminate duplicates Z: 9 2.569 1.551 0.117 0.174 0.625 0.000 CA 1.244 Z: 6 4.197 1.697 0.730 0.710 0.800 0.400 CB 0.660 6 residues pruned to eliminate duplicates Z: 12 14.623 1.884 0.370 0.864 1.000 0.727 CB 1.252 12 residues pruned to eliminate duplicates Z: 8 4.213 1.753 0.053 0.643 1.000 0.857 CA 0.755 7 residues pruned to eliminate duplicates Z: 7 8.028 1.751 0.517 0.654 0.833 0.667 CA 1.282 7 residues pruned to eliminate duplicates Z: 16 23.290 2.127 0.893 0.564 0.867 0.533 CB 1.620 16 residues pruned to eliminate duplicates Z: 8 9.784 1.640 0.321 0.872 1.000 1.000 CA 1.245 11 residues pruned to eliminate duplicates Z: 64 26.338 1.982 0.506 0.415 0.873 0.492 CB 1.392 64 residues pruned to eliminate duplicates Z: 38 25.743 2.034 0.585 0.601 0.919 0.730 CA 1.297 38 residues pruned to eliminate duplicates Z: 22 32.647 2.072 0.772 0.876 1.000 0.905 CA 1.411 22 residues pruned to eliminate duplicates Z: 22 19.512 1.878 0.235 0.888 0.952 0.857 CA 1.389 22 residues pruned to eliminate duplicates Z: 6 2.962 1.453 -0.029 0.778 0.800 0.800 O 0.918 Z: 6 5.106 1.476 0.569 0.445 1.000 0.600 N 1.043 Z: 28 23.971 2.037 0.539 0.603 0.926 0.667 CB 1.441 28 residues pruned to eliminate duplicates Z: 19 13.516 1.885 0.533 0.379 0.889 0.389 CB 1.411 19 residues pruned to eliminate duplicates Z: 8 8.893 1.594 0.708 0.790 0.857 0.571 CA 1.116 7 residues pruned to eliminate duplicates Z: 9 4.394 1.581 0.793 0.233 0.750 0.250 CB 0.996 Z: 10 6.120 1.533 0.638 0.246 0.889 0.333 N 1.226 7 residues pruned to eliminate duplicates Z: 9 9.222 1.521 0.419 0.902 1.000 1.000 CB 1.077 Z: 6 3.408 1.623 0.335 0.632 1.000 0.600 CB 0.621 Z: 13 16.485 1.902 0.586 0.864 1.000 0.583 CB 1.156 13 residues pruned to eliminate duplicates Z: 8 4.760 1.642 0.595 0.426 0.857 0.571 N 0.866 Z: 10 4.111 1.490 0.429 0.435 0.778 0.667 CB 0.885 Z: 7 5.647 1.753 0.061 0.720 1.000 0.500 CB 1.016 7 residues pruned to eliminate duplicates 6 1.428 1.210 0.885 0.300 0.600 0.400 CB 0.583 ? Z: 37 20.281 1.930 0.367 0.565 0.889 0.500 CA 1.353 37 residues pruned to eliminate duplicates Z: 31 16.392 1.778 0.611 0.408 0.833 0.533 N 1.381 31 residues pruned to eliminate duplicates Z: 30 16.028 1.965 0.135 0.687 0.897 0.690 CB 1.254 30 residues pruned to eliminate duplicates Z: 24 13.680 1.853 0.564 0.489 0.913 0.609 CB 1.090 24 residues pruned to eliminate duplicates Z: 30 15.337 1.786 0.457 0.492 0.897 0.621 CB 1.230 31 residues pruned to eliminate duplicates Z: 13 4.517 1.740 0.092 0.273 0.750 0.417 CB 1.184 Z: 11 3.345 1.356 0.526 0.353 0.900 0.500 CB 0.666 Z: 13 8.473 1.735 0.560 0.385 0.833 0.167 CB 1.225 13 residues pruned to eliminate duplicates Z: 16 10.185 1.785 0.490 0.577 0.933 0.533 CB 0.984 16 residues pruned to eliminate duplicates Z: 20 13.582 1.946 0.648 0.340 0.789 0.368 CB 1.465 20 residues pruned to eliminate duplicates Z: 10 10.276 1.628 0.551 0.869 1.000 0.778 CA 0.991 9 residues pruned to eliminate duplicates Z: 60 31.927 1.957 0.788 0.472 0.898 0.525 CB 1.361 60 residues pruned to eliminate duplicates Z: 26 22.963 1.891 0.871 0.582 0.960 0.400 CB 1.250 26 residues pruned to eliminate duplicates Z: 14 7.792 1.605 0.318 0.557 0.846 0.538 CB 1.143 14 residues pruned to eliminate duplicates Z: 8 6.441 1.619 0.863 0.511 0.857 0.429 CB 0.931 8 residues pruned to eliminate duplicates Z: 9 5.499 1.590 0.595 0.463 0.750 0.625 CA 1.061 8 residues pruned to eliminate duplicates Z: 38 27.234 2.003 0.669 0.527 0.919 0.649 CB 1.419 38 residues pruned to eliminate duplicates Z: 36 20.985 1.896 0.602 0.393 0.914 0.486 CB 1.430 36 residues pruned to eliminate duplicates Z: 12 4.591 1.463 0.760 0.268 0.818 0.455 CB 0.856 Z: 23 12.313 1.753 0.398 0.488 0.818 0.682 CB 1.325 23 residues pruned to eliminate duplicates Z: 37 20.777 1.899 0.539 0.580 0.889 0.639 CA 1.234 37 residues pruned to eliminate duplicates Z: 16 4.755 1.561 0.472 0.160 0.733 0.400 CB 1.104 16 residues pruned to eliminate duplicates Z: 17 9.381 1.577 0.375 0.742 0.938 0.562 CB 0.929 17 residues pruned to eliminate duplicates Z: 23 23.769 1.955 0.502 0.809 0.955 0.591 CB 1.381 23 residues pruned to eliminate duplicates Z: 25 18.217 1.890 0.526 0.531 0.875 0.583 CA 1.429 25 residues pruned to eliminate duplicates Z: 11 2.928 1.464 0.653 0.287 0.700 0.400 N 0.695 Z: 8 8.780 1.693 -0.001 0.885 1.000 1.000 O 1.417 8 residues pruned to eliminate duplicates Z: 13 8.680 1.766 0.478 0.494 0.917 0.583 CB 1.053 6 residues pruned to eliminate duplicates Z: 32 27.696 1.988 0.723 0.600 0.935 0.645 CB 1.411 32 residues pruned to eliminate duplicates Z: 15 6.112 1.591 0.463 0.369 0.786 0.429 CB 1.029 13 residues pruned to eliminate duplicates Z: 10 4.744 1.516 0.651 0.336 0.667 0.556 CA 1.133 5 residues pruned to eliminate duplicates Z: 9 8.432 1.826 0.582 0.412 0.875 0.500 CA 1.293 9 residues pruned to eliminate duplicates Z: 25 20.719 1.889 0.699 0.663 0.875 0.625 CA 1.295 25 residues pruned to eliminate duplicates Z: 20 8.413 1.748 0.578 0.289 0.842 0.421 CB 1.054 28 residues pruned to eliminate duplicates Z: 12 17.951 1.880 0.696 0.929 1.000 1.000 CB 1.188 12 residues pruned to eliminate duplicates Z: 6 2.093 1.130 0.767 0.479 1.000 0.800 N 0.479 Z: 36 25.598 1.997 0.783 0.416 0.914 0.514 CB 1.450 36 residues pruned to eliminate duplicates Z: 6 4.983 1.536 0.489 0.480 0.800 0.600 CA 1.242 6 residues pruned to eliminate duplicates Z: 7 6.428 1.549 0.503 0.527 0.833 0.833 O 1.317 Z: 6 6.045 1.477 0.804 0.627 1.000 1.000 CA 0.900 Z: 11 15.745 1.889 0.758 0.538 1.000 0.700 CA 1.444 13 residues pruned to eliminate duplicates Z: 42 38.381 2.108 1.031 0.488 0.902 0.585 CB 1.570 42 residues pruned to eliminate duplicates Z: 8 5.607 1.682 -0.157 0.703 1.000 0.571 CA 1.243 8 residues pruned to eliminate duplicates Z: 7 10.536 1.729 0.544 0.862 1.000 0.833 N 1.183 7 residues pruned to eliminate duplicates Z: 40 36.874 2.066 1.029 0.505 0.949 0.436 CB 1.477 40 residues pruned to eliminate duplicates Z: 18 13.476 1.820 0.631 0.461 0.882 0.706 CB 1.298 18 residues pruned to eliminate duplicates Z: 13 22.994 1.794 1.213 0.928 1.000 1.000 CB 1.171 13 residues pruned to eliminate duplicates Z: 11 10.875 1.525 0.920 0.820 0.900 0.800 CA 0.988 11 residues pruned to eliminate duplicates Z: 12 9.263 1.919 0.124 0.676 0.909 0.727 CB 1.211 12 residues pruned to eliminate duplicates Z: 72 35.257 1.892 0.575 0.620 0.944 0.634 CB 1.329 72 residues pruned to eliminate duplicates Z: 8 7.234 1.730 0.040 0.721 1.000 0.714 CA 1.245 8 residues pruned to eliminate duplicates Z: 23 26.057 2.003 0.596 0.878 1.000 0.773 CA 1.261 23 residues pruned to eliminate duplicates Z: 9 7.772 1.551 0.614 0.747 0.875 0.625 CB 1.006 Z: 14 19.060 1.719 0.914 0.858 0.923 0.538 CB 1.282 14 residues pruned to eliminate duplicates Z: 14 3.669 1.568 0.717 0.216 0.692 0.385 CB 0.762 Z: 21 9.407 1.720 0.737 0.349 0.800 0.400 CB 1.036 21 residues pruned to eliminate duplicates Z: 27 15.370 1.855 0.789 0.344 0.846 0.462 CB 1.272 27 residues pruned to eliminate duplicates Z: 6 4.883 1.584 0.308 0.481 1.000 0.400 CB 1.074 6 residues pruned to eliminate duplicates Z: 26 17.651 1.919 0.577 0.457 0.960 0.640 CB 1.270 26 residues pruned to eliminate duplicates Z: 24 28.108 1.961 0.772 0.857 0.957 0.652 CA 1.300 24 residues pruned to eliminate duplicates Z: 15 8.865 1.773 0.596 0.475 0.857 0.500 CB 1.002 15 residues pruned to eliminate duplicates Z: 87 33.875 1.968 0.630 0.434 0.849 0.547 CB 1.437 87 residues pruned to eliminate duplicates Z: 20 17.506 1.915 0.593 0.428 0.947 0.684 CA 1.498 20 residues pruned to eliminate duplicates Z: 33 34.574 2.006 0.923 0.688 0.969 0.500 CA 1.376 30 residues pruned to eliminate duplicates Z: 7 3.316 1.377 0.526 0.467 0.833 0.333 CB 0.799 Z: 14 17.310 1.677 0.502 0.913 1.000 0.846 CB 1.349 14 residues pruned to eliminate duplicates 6 1.271 1.407 0.600 0.824 1.000 0.600 CB 0.191 ? Z: 6 6.082 1.570 1.340 0.715 0.800 0.400 CB 0.762 Z: 9 2.740 1.545 -0.102 0.418 0.750 0.625 N 1.015 Z: 43 23.361 1.951 0.861 0.421 0.857 0.429 CB 1.258 43 residues pruned to eliminate duplicates Z: 21 17.684 1.871 0.453 0.765 0.950 0.800 CA 1.211 21 residues pruned to eliminate duplicates Z: 38 21.979 1.888 0.509 0.558 0.946 0.730 CA 1.268 38 residues pruned to eliminate duplicates Z: 14 24.531 1.928 0.961 0.803 1.000 0.769 CA 1.381 14 residues pruned to eliminate duplicates Z: 7 3.603 1.355 0.267 0.448 0.833 0.667 N 1.085 Z: 22 27.143 1.924 0.870 0.815 0.952 0.714 CB 1.315 22 residues pruned to eliminate duplicates Z: 7 6.636 1.569 0.709 0.675 0.667 0.500 CB 1.289 Z: 23 14.168 1.918 0.469 0.372 0.864 0.636 CA 1.423 23 residues pruned to eliminate duplicates Z: 6 4.473 1.708 0.199 0.688 1.000 1.000 CB 0.822 Z: 7 4.106 1.596 0.284 0.807 1.000 1.000 CB 0.626 7 residues pruned to eliminate duplicates Z: 6 5.492 1.599 -0.093 0.847 1.000 0.800 CB 1.258 7 residues pruned to eliminate duplicates Z: 13 20.214 1.811 0.991 0.860 1.000 0.583 CB 1.190 13 residues pruned to eliminate duplicates Z: 27 22.012 1.948 0.640 0.550 0.846 0.538 CB 1.521 27 residues pruned to eliminate duplicates Z: 57 21.759 1.807 0.488 0.484 0.857 0.571 CB 1.281 76 residues pruned to eliminate duplicates Z: 14 12.680 1.611 0.629 0.755 0.923 0.692 CA 1.157 Z: 40 32.110 2.037 0.822 0.478 0.949 0.487 CB 1.493 40 residues pruned to eliminate duplicates Z: 27 21.476 1.918 0.495 0.636 0.962 0.615 CB 1.345 27 residues pruned to eliminate duplicates Z: 6 5.029 1.633 0.511 0.397 0.800 0.600 CB 1.270 6 residues pruned to eliminate duplicates Z: 7 2.393 1.353 0.643 0.236 0.667 0.333 CB 0.896 Z: 10 11.063 1.594 0.575 0.867 0.889 0.778 CA 1.209 10 residues pruned to eliminate duplicates Z: 9 4.843 1.754 0.028 0.501 0.875 0.250 CB 1.084 9 residues pruned to eliminate duplicates Z: 23 33.339 1.927 1.080 0.894 0.909 0.545 CA 1.400 23 residues pruned to eliminate duplicates 6 0.822 0.949 0.132 0.294 0.600 0.600 N 0.718 ? Z: 13 21.929 1.803 1.134 0.893 0.917 0.667 CB 1.288 13 residues pruned to eliminate duplicates Z: 6 5.573 1.674 0.445 0.844 1.000 0.800 CB 0.766 6 residues pruned to eliminate duplicates Z: 26 34.147 2.127 0.912 0.642 1.000 0.560 CB 1.471 26 residues pruned to eliminate duplicates Z: 25 19.460 1.923 0.385 0.812 1.000 0.750 CA 1.137 25 residues pruned to eliminate duplicates Z: 7 3.877 1.397 0.403 0.610 0.833 0.667 CB 0.873 7 residues pruned to eliminate duplicates Z: 18 12.849 1.810 0.597 0.417 1.000 0.588 CB 1.175 19 residues pruned to eliminate duplicates Z: 6 2.600 1.536 0.248 0.773 0.800 0.800 CB 0.596 Z: 40 32.208 1.983 0.806 0.508 0.974 0.590 CB 1.466 41 residues pruned to eliminate duplicates Z: 39 22.059 1.852 0.552 0.524 0.921 0.632 CB 1.320 39 residues pruned to eliminate duplicates Z: 80 48.564 2.052 0.947 0.504 0.924 0.544 CB 1.475 80 residues pruned to eliminate duplicates 6 1.727 1.417 0.071 0.659 0.600 0.600 CB 0.732 ? Z: 15 10.052 1.758 0.457 0.558 0.857 0.571 CB 1.157 15 residues pruned to eliminate duplicates Z: 7 2.430 1.622 0.041 0.418 0.833 0.667 CA 0.769 5 residues pruned to eliminate duplicates Z: 8 6.226 1.480 0.614 0.523 1.000 0.571 CA 0.963 Z: 7 2.024 1.450 0.722 0.401 0.833 0.500 CB 0.440 Z: 28 16.559 1.742 0.592 0.532 0.889 0.407 CA 1.253 28 residues pruned to eliminate duplicates Z: 10 7.988 1.692 0.630 0.530 0.889 0.667 CB 1.054 10 residues pruned to eliminate duplicates Z: 12 27.659 2.077 1.128 0.913 1.000 0.727 CA 1.336 12 residues pruned to eliminate duplicates 6 1.204 1.606 -0.109 0.738 1.000 1.000 CB 0.304 ? Z: 12 3.500 1.620 0.302 0.264 0.818 0.364 CB 0.800 Z: 9 9.261 1.537 0.475 0.779 1.000 0.500 CB 1.130 9 residues pruned to eliminate duplicates Z: 13 8.561 1.399 0.767 0.741 0.917 0.500 CB 0.879 13 residues pruned to eliminate duplicates Z: 10 5.283 1.682 0.284 0.482 0.889 0.556 CB 0.934 10 residues pruned to eliminate duplicates Z: 16 6.522 1.625 0.751 0.806 1.000 0.667 CB 0.453 9 residues pruned to eliminate duplicates Z: 9 8.476 1.740 0.207 0.593 1.000 0.875 CB 1.306 9 residues pruned to eliminate duplicates Z: 17 8.511 1.826 0.453 0.478 0.812 0.438 CB 1.010 17 residues pruned to eliminate duplicates Z: 13 7.686 1.760 0.523 0.321 0.750 0.583 N 1.345 13 residues pruned to eliminate duplicates Z: 8 5.884 1.409 0.510 0.362 1.000 0.286 N 1.212 Z: 35 25.647 1.869 0.566 0.683 0.971 0.529 CB 1.308 34 residues pruned to eliminate duplicates Z: 9 7.529 1.765 0.508 0.429 1.000 0.500 CA 1.077 9 residues pruned to eliminate duplicates Z: 8 8.344 1.728 0.603 0.840 0.857 0.571 CB 0.991 8 residues pruned to eliminate duplicates Z: 31 20.595 1.893 0.582 0.604 0.967 0.767 CA 1.176 32 residues pruned to eliminate duplicates Z: 40 26.480 1.885 0.555 0.647 0.974 0.615 CB 1.293 40 residues pruned to eliminate duplicates Z: 8 3.399 1.249 0.626 0.599 0.714 0.571 C 0.806 Z: 43 35.907 2.068 0.910 0.493 0.929 0.500 CB 1.522 43 residues pruned to eliminate duplicates Z: 19 34.621 1.973 1.063 0.903 1.000 0.667 CA 1.429 19 residues pruned to eliminate duplicates Z: 12 4.187 1.681 0.260 0.447 0.727 0.545 CB 0.866 12 residues pruned to eliminate duplicates Z: 41 20.455 1.857 0.549 0.543 0.900 0.625 CB 1.197 42 residues pruned to eliminate duplicates Z: 9 6.088 1.804 0.470 0.392 0.875 0.625 CB 1.040 Z: 14 6.724 1.668 0.272 0.463 0.769 0.538 CB 1.187 14 residues pruned to eliminate duplicates Z: 6 6.386 1.505 0.279 0.841 1.000 1.000 CA 1.107 6 residues pruned to eliminate duplicates Z: 9 8.631 1.788 0.563 0.531 0.875 0.875 CB 1.210 9 residues pruned to eliminate duplicates Z: 16 15.136 1.961 0.421 0.500 0.933 0.467 CA 1.502 21 residues pruned to eliminate duplicates Z: 43 37.896 2.083 0.901 0.563 0.905 0.667 CB 1.536 43 residues pruned to eliminate duplicates Z: 7 6.866 1.842 0.499 0.352 0.833 0.833 CB 1.429 6 residues pruned to eliminate duplicates Z: 8 3.720 1.893 0.349 0.424 0.857 0.429 CB 0.695 8 residues pruned to eliminate duplicates 6 1.022 1.573 -0.468 0.295 0.600 0.400 N 1.145 ? Z: 8 8.621 1.537 0.886 0.845 0.714 0.571 CA 1.170 8 residues pruned to eliminate duplicates Z: 9 4.011 1.559 0.165 0.496 0.875 0.750 CA 0.896 9 residues pruned to eliminate duplicates Z: 78 29.222 1.873 0.494 0.564 0.948 0.610 CB 1.180 88 residues pruned to eliminate duplicates Z: 43 40.217 2.131 0.901 0.559 0.952 0.524 CB 1.519 43 residues pruned to eliminate duplicates Z: 11 8.281 1.668 0.631 0.417 0.800 0.600 O 1.312 11 residues pruned to eliminate duplicates Z: 44 26.010 1.994 0.839 0.444 0.860 0.512 CB 1.332 44 residues pruned to eliminate duplicates Z: 23 17.833 1.878 0.697 0.579 0.909 0.409 CB 1.216 23 residues pruned to eliminate duplicates Z: 12 10.694 1.982 0.116 0.652 0.909 0.818 CA 1.392 12 residues pruned to eliminate duplicates Z: 23 15.050 1.839 0.580 0.426 0.909 0.545 CB 1.312 23 residues pruned to eliminate duplicates Z: 17 7.947 1.720 0.426 0.367 0.875 0.375 CB 1.068 27 residues pruned to eliminate duplicates Z: 13 8.028 1.772 0.472 0.321 0.917 0.583 CB 1.180 13 residues pruned to eliminate duplicates Z: 48 28.525 1.902 0.533 0.626 0.936 0.638 CB 1.354 48 residues pruned to eliminate duplicates Z: 7 6.012 1.416 0.471 0.559 1.000 0.500 C 1.113 Using tripeptides from previous cycle as seeds Z: 20 15.928 1.923 0.808 0.373 0.895 0.421 CB 1.346 20 residues pruned to eliminate duplicates Z: 19 14.648 1.906 0.840 0.411 0.944 0.389 CB 1.145 19 residues pruned to eliminate duplicates Z: 17 12.478 1.952 0.650 0.381 0.875 0.312 CB 1.256 17 residues pruned to eliminate duplicates Z: 37 27.880 2.003 0.731 0.505 0.944 0.500 CB 1.411 37 residues pruned to eliminate duplicates Z: 22 14.544 1.852 0.741 0.368 0.905 0.524 CB 1.252 22 residues pruned to eliminate duplicates Z: 17 12.812 1.964 0.795 0.431 0.875 0.500 CB 1.115 17 residues pruned to eliminate duplicates Z: 13 15.454 2.046 0.719 0.531 0.917 0.417 CB 1.341 13 residues pruned to eliminate duplicates Z: 40 24.631 1.922 0.817 0.467 0.872 0.538 CA 1.340 40 residues pruned to eliminate duplicates Z: 25 16.421 1.863 0.779 0.362 0.917 0.292 CB 1.279 21 residues pruned to eliminate duplicates Z: 6 3.544 1.351 0.615 0.388 0.800 0.800 N 1.023 6 residues pruned to eliminate duplicates Z: 42 28.307 2.039 0.774 0.475 0.902 0.634 CB 1.388 42 residues pruned to eliminate duplicates Z: 41 29.677 2.052 0.773 0.479 0.925 0.575 CB 1.424 41 residues pruned to eliminate duplicates Z: 40 33.448 2.082 0.789 0.521 0.974 0.615 CB 1.446 46 residues pruned to eliminate duplicates Z: 14 25.819 2.080 0.927 0.727 1.000 0.769 CA 1.456 14 residues pruned to eliminate duplicates Z: 26 29.178 1.996 0.979 0.592 0.960 0.680 CA 1.409 26 residues pruned to eliminate duplicates Z: 42 32.254 2.034 0.875 0.446 0.976 0.463 CB 1.431 42 residues pruned to eliminate duplicates Z: 41 32.498 2.069 0.882 0.491 0.950 0.550 CB 1.401 41 residues pruned to eliminate duplicates Z: 43 30.952 2.023 0.814 0.497 0.929 0.500 CB 1.405 43 residues pruned to eliminate duplicates Z: 41 33.325 2.059 0.880 0.501 0.975 0.575 CB 1.394 41 residues pruned to eliminate duplicates Z: 41 35.333 2.070 0.915 0.497 1.000 0.475 CB 1.413 41 residues pruned to eliminate duplicates Z: 13 30.650 2.059 1.203 0.861 1.000 0.667 CA 1.433 13 residues pruned to eliminate duplicates Z: 37 27.155 2.041 0.832 0.488 0.889 0.583 CB 1.379 37 residues pruned to eliminate duplicates Z: 26 30.265 2.053 1.022 0.614 0.880 0.560 CA 1.487 26 residues pruned to eliminate duplicates Z: 41 33.400 2.070 0.918 0.458 0.950 0.525 CB 1.461 41 residues pruned to eliminate duplicates Z: 25 31.194 2.055 1.010 0.620 0.958 0.458 CA 1.436 25 residues pruned to eliminate duplicates Z: 40 34.313 2.089 0.977 0.514 0.923 0.462 CB 1.421 40 residues pruned to eliminate duplicates Z: 43 29.222 2.012 0.859 0.470 0.905 0.500 CB 1.373 43 residues pruned to eliminate duplicates Z: 42 28.423 2.021 0.866 0.471 0.902 0.415 CB 1.344 42 residues pruned to eliminate duplicates Z: 27 28.192 2.033 0.953 0.554 1.000 0.538 CA 1.321 27 residues pruned to eliminate duplicates Z: 40 32.715 2.073 0.973 0.508 0.923 0.564 CB 1.377 40 residues pruned to eliminate duplicates Z: 41 33.014 2.068 0.924 0.487 0.975 0.525 CB 1.363 41 residues pruned to eliminate duplicates Z: 7 4.246 1.426 0.683 0.297 0.833 0.333 CB 1.088 Z: 12 14.528 1.927 0.786 0.833 1.000 0.727 CB 0.955 12 residues pruned to eliminate duplicates Z: 23 18.264 1.866 0.786 0.648 0.909 0.636 CB 1.119 28 residues pruned to eliminate duplicates Z: 12 12.289 1.855 0.943 0.850 0.909 0.727 CB 0.838 12 residues pruned to eliminate duplicates Z: 15 15.483 1.849 0.821 0.687 0.929 0.500 CB 1.115 15 residues pruned to eliminate duplicates Z: 9 12.832 1.883 0.838 0.775 0.875 0.625 CB 1.175 9 residues pruned to eliminate duplicates Z: 14 13.944 1.935 0.796 0.711 0.923 0.615 CB 0.996 14 residues pruned to eliminate duplicates Z: 26 17.174 1.788 0.714 0.577 0.880 0.680 CB 1.183 23 residues pruned to eliminate duplicates Z: 12 18.591 1.827 1.041 0.911 1.000 0.636 CB 1.065 12 residues pruned to eliminate duplicates Z: 20 10.866 1.802 0.617 0.554 0.895 0.684 CB 0.907 20 residues pruned to eliminate duplicates Z: 15 12.762 1.885 0.672 0.716 0.857 0.571 CB 1.039 15 residues pruned to eliminate duplicates Z: 20 10.207 1.828 0.534 0.369 0.895 0.421 CB 1.075 20 residues pruned to eliminate duplicates Z: 20 9.206 1.831 0.638 0.358 0.842 0.316 CB 0.975 20 residues pruned to eliminate duplicates Z: 22 19.396 2.007 0.828 0.562 0.952 0.476 CB 1.141 25 residues pruned to eliminate duplicates Z: 6 4.500 1.628 0.699 0.463 0.600 0.400 CA 1.260 6 residues pruned to eliminate duplicates Z: 18 12.703 1.941 0.615 0.387 0.882 0.471 CB 1.256 17 residues pruned to eliminate duplicates Z: 6 3.078 1.447 0.835 0.514 0.600 0.400 CA 0.852 6 residues pruned to eliminate duplicates Z: 20 9.959 1.808 0.483 0.376 0.842 0.421 CB 1.155 20 residues pruned to eliminate duplicates Z: 16 9.481 1.918 0.344 0.402 0.867 0.467 CA 1.216 16 residues pruned to eliminate duplicates Z: 18 12.706 1.948 0.630 0.373 0.941 0.412 CB 1.182 18 residues pruned to eliminate duplicates Z: 12 12.461 1.894 0.620 0.644 0.909 0.636 CB 1.177 12 residues pruned to eliminate duplicates Z: 10 4.851 1.893 0.594 0.227 0.667 0.444 CB 1.105 10 residues pruned to eliminate duplicates Z: 27 17.723 1.920 0.675 0.548 0.962 0.769 CB 1.073 33 residues pruned to eliminate duplicates Z: 12 12.767 1.904 0.624 0.860 1.000 0.909 CB 0.915 12 residues pruned to eliminate duplicates Z: 38 19.489 1.904 0.693 0.496 0.892 0.676 CB 1.118 37 residues pruned to eliminate duplicates Z: 13 17.558 1.856 1.124 0.857 1.000 0.750 CB 0.947 13 residues pruned to eliminate duplicates Z: 28 16.427 1.872 0.658 0.508 0.889 0.519 CB 1.137 35 residues pruned to eliminate duplicates Z: 12 14.977 1.920 1.141 0.844 1.000 0.636 CB 0.817 12 residues pruned to eliminate duplicates Z: 20 13.193 1.803 0.794 0.538 0.947 0.632 CB 0.952 20 residues pruned to eliminate duplicates Z: 26 18.167 1.924 0.882 0.453 0.920 0.680 CB 1.145 26 residues pruned to eliminate duplicates Z: 24 18.583 1.940 0.942 0.475 0.913 0.391 CB 1.156 24 residues pruned to eliminate duplicates Z: 37 19.369 1.877 0.659 0.446 0.889 0.417 CB 1.233 37 residues pruned to eliminate duplicates Z: 14 8.677 1.758 0.652 0.326 0.846 0.538 CA 1.186 14 residues pruned to eliminate duplicates Z: 15 8.009 1.766 0.648 0.269 0.857 0.500 CA 1.115 15 residues pruned to eliminate duplicates Z: 12 10.962 1.877 0.808 0.308 0.818 0.364 CB 1.474 12 residues pruned to eliminate duplicates Z: 14 6.881 1.795 0.560 0.345 0.769 0.462 CB 1.049 14 residues pruned to eliminate duplicates Z: 13 11.491 1.885 0.738 0.361 0.917 0.417 CB 1.282 13 residues pruned to eliminate duplicates Z: 36 18.358 1.886 0.623 0.426 0.943 0.514 CB 1.161 36 residues pruned to eliminate duplicates Z: 12 12.755 1.890 0.880 0.379 0.909 0.545 CB 1.354 12 residues pruned to eliminate duplicates Z: 27 16.592 1.780 0.744 0.551 0.885 0.538 CB 1.127 26 residues pruned to eliminate duplicates Z: 6 3.728 1.348 0.602 0.374 1.000 0.600 CA 0.883 6 residues pruned to eliminate duplicates Z: 9 8.131 1.769 0.523 0.534 0.750 0.625 CA 1.375 10 residues pruned to eliminate duplicates Z: 8 10.208 1.680 0.459 0.652 1.000 0.571 CA 1.366 8 residues pruned to eliminate duplicates Z: 17 8.943 1.774 0.301 0.456 0.812 0.375 CB 1.246 17 residues pruned to eliminate duplicates Z: 41 16.685 1.862 0.508 0.394 0.925 0.500 CB 1.136 41 residues pruned to eliminate duplicates Z: 10 7.293 1.750 0.352 0.409 0.889 0.222 CB 1.272 10 residues pruned to eliminate duplicates Z: 11 9.718 1.771 0.452 0.423 0.900 0.500 CB 1.438 11 residues pruned to eliminate duplicates Z: 35 15.122 1.865 0.458 0.428 0.853 0.618 CB 1.204 35 residues pruned to eliminate duplicates Z: 41 19.393 1.872 0.521 0.430 0.950 0.400 CB 1.219 41 residues pruned to eliminate duplicates Z: 10 7.146 1.708 0.358 0.577 0.889 0.556 CB 1.073 10 residues pruned to eliminate duplicates Z: 35 16.592 1.876 0.581 0.424 0.882 0.647 CB 1.177 35 residues pruned to eliminate duplicates Z: 39 17.163 1.867 0.516 0.463 0.895 0.526 CB 1.142 39 residues pruned to eliminate duplicates Z: 37 15.926 1.815 0.524 0.411 0.917 0.472 CB 1.149 37 residues pruned to eliminate duplicates Z: 41 18.079 1.858 0.560 0.416 0.950 0.475 CB 1.133 41 residues pruned to eliminate duplicates Z: 41 16.548 1.829 0.448 0.415 0.950 0.600 CB 1.136 41 residues pruned to eliminate duplicates Z: 36 16.225 1.864 0.462 0.369 0.914 0.343 CB 1.266 36 residues pruned to eliminate duplicates Z: 41 18.228 1.861 0.468 0.426 0.975 0.525 CB 1.169 41 residues pruned to eliminate duplicates Z: 41 19.813 1.868 0.568 0.424 0.950 0.525 CB 1.219 41 residues pruned to eliminate duplicates Z: 6 5.119 1.694 0.900 0.369 0.800 0.600 CB 1.023 6 residues pruned to eliminate duplicates Z: 40 16.756 1.859 0.548 0.403 0.897 0.462 CB 1.150 40 residues pruned to eliminate duplicates Z: 27 16.060 1.901 0.673 0.425 0.923 0.500 CB 1.159 27 residues pruned to eliminate duplicates Z: 10 9.545 1.612 0.811 0.599 1.000 0.667 CA 0.992 10 residues pruned to eliminate duplicates Z: 36 15.474 1.824 0.500 0.396 0.886 0.457 CB 1.204 36 residues pruned to eliminate duplicates Z: 41 17.765 1.838 0.555 0.434 0.925 0.550 CB 1.137 41 residues pruned to eliminate duplicates Z: 6 3.269 1.682 0.563 0.766 0.800 0.800 CB 0.549 6 residues pruned to eliminate duplicates Z: 15 12.474 1.808 0.836 0.544 0.929 0.714 CB 1.036 16 residues pruned to eliminate duplicates Z: 6 2.488 1.675 0.563 0.789 0.800 0.400 CB 0.412 6 residues pruned to eliminate duplicates Z: 41 18.209 1.853 0.540 0.413 0.925 0.450 CB 1.195 41 residues pruned to eliminate duplicates Z: 30 11.303 1.612 0.716 0.318 0.862 0.448 CB 1.075 18 residues pruned to eliminate duplicates Z: 11 7.794 1.610 0.771 0.527 0.900 0.300 CB 0.936 11 residues pruned to eliminate duplicates Z: 41 17.763 1.869 0.492 0.385 0.925 0.525 CB 1.230 41 residues pruned to eliminate duplicates Z: 41 19.737 1.870 0.569 0.425 0.950 0.550 CB 1.210 42 residues pruned to eliminate duplicates Z: 15 14.423 1.866 0.780 0.707 0.786 0.429 CB 1.224 14 residues pruned to eliminate duplicates Z: 15 12.883 1.853 0.444 0.739 0.857 0.714 CB 1.212 15 residues pruned to eliminate duplicates Z: 8 4.637 1.673 0.288 0.792 0.857 0.714 CB 0.734 8 residues pruned to eliminate duplicates Z: 31 19.229 1.924 0.576 0.422 0.900 0.567 CA 1.395 31 residues pruned to eliminate duplicates Z: 42 18.531 1.888 0.536 0.424 0.878 0.488 CB 1.231 42 residues pruned to eliminate duplicates Z: 22 17.261 1.884 0.546 0.478 0.952 0.524 CB 1.388 22 residues pruned to eliminate duplicates Z: 30 19.193 1.955 0.552 0.436 0.897 0.517 CB 1.400 30 residues pruned to eliminate duplicates Z: 22 17.183 1.884 0.531 0.471 0.952 0.381 CA 1.405 22 residues pruned to eliminate duplicates Z: 20 17.755 1.965 0.631 0.467 0.947 0.632 CA 1.388 20 residues pruned to eliminate duplicates Z: 33 20.827 1.906 0.599 0.442 0.938 0.562 CB 1.367 33 residues pruned to eliminate duplicates Z: 43 20.279 1.909 0.636 0.394 0.881 0.429 CB 1.272 43 residues pruned to eliminate duplicates Z: 42 24.297 1.887 0.713 0.433 0.951 0.390 CB 1.322 39 residues pruned to eliminate duplicates Z: 11 12.137 1.967 0.643 0.521 0.900 0.400 CA 1.293 11 residues pruned to eliminate duplicates Z: 22 20.932 1.954 0.679 0.445 1.000 0.571 CB 1.473 22 residues pruned to eliminate duplicates Z: 39 19.217 1.920 0.559 0.426 0.921 0.474 CB 1.221 39 residues pruned to eliminate duplicates Z: 33 17.640 1.940 0.500 0.363 0.875 0.625 CA 1.419 33 residues pruned to eliminate duplicates Z: 18 16.842 2.052 0.620 0.381 1.000 0.647 CB 1.395 18 residues pruned to eliminate duplicates Z: 39 20.168 1.905 0.575 0.433 0.895 0.605 CB 1.307 39 residues pruned to eliminate duplicates Z: 12 10.050 1.870 0.686 0.438 0.818 0.182 CB 1.252 12 residues pruned to eliminate duplicates Z: 81 34.870 1.994 0.712 0.455 0.887 0.488 CB 1.347 126 residues pruned to eliminate duplicates Z: 40 21.687 1.966 0.617 0.410 0.923 0.462 CB 1.301 Z: 6 4.407 1.679 0.762 0.301 0.800 0.600 CA 1.040 6 residues pruned to eliminate duplicates Z: 36 21.081 1.927 0.705 0.432 0.829 0.514 CB 1.404 36 residues pruned to eliminate duplicates Z: 38 20.828 1.924 0.705 0.425 0.865 0.459 CB 1.305 38 residues pruned to eliminate duplicates Z: 41 20.184 1.917 0.772 0.373 0.850 0.500 CB 1.266 39 residues pruned to eliminate duplicates Z: 6 5.306 1.767 0.588 0.804 0.800 0.400 CB 0.811 6 residues pruned to eliminate duplicates Z: 37 22.366 2.001 0.663 0.421 0.944 0.528 CB 1.287 38 residues pruned to eliminate duplicates Z: 6 5.799 1.797 0.692 0.766 1.000 0.600 CB 0.674 6 residues pruned to eliminate duplicates Z: 36 21.980 2.010 0.717 0.427 0.914 0.457 CB 1.271 36 residues pruned to eliminate duplicates Z: 36 19.020 1.927 0.702 0.364 0.857 0.429 CB 1.324 36 residues pruned to eliminate duplicates Z: 37 22.362 1.963 0.630 0.461 0.944 0.556 CB 1.284 37 residues pruned to eliminate duplicates Z: 11 10.042 1.556 0.428 0.816 1.000 0.900 CA 1.086 11 residues pruned to eliminate duplicates Z: 14 12.260 1.707 0.694 0.635 1.000 0.538 CB 1.036 10 residues pruned to eliminate duplicates Z: 11 9.752 1.577 0.622 0.875 1.000 0.700 CA 0.877 11 residues pruned to eliminate duplicates Z: 15 12.136 1.611 0.668 0.668 1.000 0.643 CB 1.033 16 residues pruned to eliminate duplicates Z: 9 9.521 1.634 0.422 0.907 1.000 0.750 CB 1.029 9 residues pruned to eliminate duplicates Z: 16 10.283 1.635 0.543 0.633 0.933 0.600 CB 0.995 16 residues pruned to eliminate duplicates Z: 9 10.786 1.672 0.590 0.889 1.000 0.875 CA 1.033 9 residues pruned to eliminate duplicates Z: 18 10.400 1.603 0.524 0.569 0.941 0.588 CB 1.026 18 residues pruned to eliminate duplicates Z: 14 9.868 1.680 0.457 0.667 0.846 0.692 CA 1.132 14 residues pruned to eliminate duplicates Z: 17 11.226 1.631 0.431 0.612 0.938 0.438 CA 1.153 17 residues pruned to eliminate duplicates Z: 14 11.625 1.641 0.554 0.702 0.923 0.538 CB 1.139 14 residues pruned to eliminate duplicates Z: 40 24.473 1.968 0.686 0.479 0.923 0.436 CB 1.307 40 residues pruned to eliminate duplicates Z: 13 9.176 1.772 0.587 0.390 0.833 0.583 CB 1.271 13 residues pruned to eliminate duplicates Z: 39 25.156 2.001 0.772 0.485 0.842 0.605 CB 1.387 39 residues pruned to eliminate duplicates Z: 20 12.026 1.818 0.709 0.361 0.895 0.526 CA 1.152 20 residues pruned to eliminate duplicates Z: 29 19.834 2.013 0.633 0.516 0.857 0.607 CB 1.309 29 residues pruned to eliminate duplicates Z: 40 20.024 1.966 0.692 0.467 0.795 0.564 CB 1.254 40 residues pruned to eliminate duplicates Z: 39 23.058 1.996 0.686 0.489 0.842 0.632 CB 1.334 39 residues pruned to eliminate duplicates Z: 39 22.693 1.983 0.679 0.465 0.868 0.579 CB 1.319 39 residues pruned to eliminate duplicates Z: 39 22.951 1.988 0.757 0.484 0.842 0.553 CB 1.287 39 residues pruned to eliminate duplicates Z: 40 22.063 1.910 0.762 0.501 0.846 0.487 CB 1.240 40 residues pruned to eliminate duplicates Z: 36 23.978 2.021 0.698 0.511 0.886 0.514 CB 1.319 36 residues pruned to eliminate duplicates Z: 35 25.122 2.017 0.840 0.528 0.912 0.471 CB 1.238 35 residues pruned to eliminate duplicates Z: 37 24.222 1.981 0.764 0.481 0.917 0.472 CB 1.285 37 residues pruned to eliminate duplicates Z: 41 19.447 1.972 0.577 0.455 0.850 0.575 CB 1.218 41 residues pruned to eliminate duplicates Z: 32 23.132 2.013 0.755 0.519 0.871 0.613 CB 1.325 32 residues pruned to eliminate duplicates Z: 39 21.898 1.977 0.704 0.493 0.842 0.632 CB 1.261 39 residues pruned to eliminate duplicates Z: 37 21.127 1.959 0.708 0.467 0.889 0.639 CB 1.224 37 residues pruned to eliminate duplicates Z: 40 19.491 1.930 0.680 0.495 0.821 0.487 CB 1.179 40 residues pruned to eliminate duplicates Z: 43 19.719 1.917 0.707 0.436 0.857 0.500 CB 1.159 43 residues pruned to eliminate duplicates Z: 36 22.182 1.966 0.770 0.492 0.886 0.600 CB 1.227 36 residues pruned to eliminate duplicates Z: 41 21.151 1.907 0.767 0.468 0.875 0.500 CB 1.172 41 residues pruned to eliminate duplicates Z: 41 22.360 1.955 0.658 0.479 0.875 0.425 CB 1.274 41 residues pruned to eliminate duplicates Z: 39 22.194 1.948 0.774 0.468 0.842 0.474 CB 1.278 39 residues pruned to eliminate duplicates Z: 29 15.755 1.958 0.665 0.487 0.857 0.429 CB 1.080 29 residues pruned to eliminate duplicates Z: 39 22.692 1.974 0.593 0.496 0.895 0.474 CB 1.314 39 residues pruned to eliminate duplicates Z: 65 30.875 1.965 0.591 0.568 0.891 0.594 CB 1.298 80 residues pruned to eliminate duplicates Z: 11 16.214 2.094 0.901 0.931 0.900 0.900 CB 1.000 11 residues pruned to eliminate duplicates Z: 39 20.637 1.987 0.642 0.461 0.842 0.553 CB 1.268 39 residues pruned to eliminate duplicates Z: 37 21.673 1.976 0.597 0.451 0.917 0.472 CB 1.314 37 residues pruned to eliminate duplicates Z: 23 19.396 2.025 0.803 0.555 0.909 0.682 CB 1.181 23 residues pruned to eliminate duplicates Z: 36 23.229 1.986 0.699 0.489 0.914 0.600 CB 1.287 36 residues pruned to eliminate duplicates Z: 31 22.523 1.921 0.768 0.559 0.933 0.567 CB 1.225 31 residues pruned to eliminate duplicates Z: 11 10.862 1.912 0.672 0.397 0.900 0.600 CB 1.331 11 residues pruned to eliminate duplicates Z: 30 16.081 1.845 0.673 0.372 0.862 0.483 CB 1.287 30 residues pruned to eliminate duplicates Z: 38 20.232 1.911 0.560 0.430 0.892 0.541 CB 1.345 38 residues pruned to eliminate duplicates Z: 15 5.533 1.783 0.390 0.148 0.786 0.286 CA 1.172 15 residues pruned to eliminate duplicates Z: 47 20.490 1.886 0.536 0.445 0.891 0.457 CB 1.238 47 residues pruned to eliminate duplicates Z: 31 14.837 1.849 0.556 0.486 0.867 0.567 CB 1.101 31 residues pruned to eliminate duplicates Z: 18 9.029 1.744 0.558 0.377 1.000 0.412 CB 0.920 18 residues pruned to eliminate duplicates Z: 15 8.118 1.699 0.468 0.454 0.857 0.214 CB 1.064 15 residues pruned to eliminate duplicates Z: 45 17.127 1.780 0.428 0.429 0.886 0.477 CB 1.234 45 residues pruned to eliminate duplicates Z: 19 11.054 1.715 0.500 0.397 0.889 0.444 CB 1.270 19 residues pruned to eliminate duplicates Z: 7 4.673 1.562 0.489 0.446 0.833 0.500 CB 1.041 Z: 8 7.458 1.635 0.898 0.702 0.857 0.429 CB 0.882 Z: 26 23.572 2.013 0.414 0.793 0.960 0.680 CA 1.334 26 residues pruned to eliminate duplicates Z: 33 23.087 1.987 0.450 0.618 0.969 0.656 CB 1.308 33 residues pruned to eliminate duplicates Z: 26 21.112 2.011 0.523 0.586 0.920 0.760 CB 1.380 26 residues pruned to eliminate duplicates Z: 37 20.486 1.920 0.427 0.633 0.889 0.639 CB 1.238 37 residues pruned to eliminate duplicates Z: 24 26.451 2.110 0.536 0.806 0.957 0.783 CB 1.363 24 residues pruned to eliminate duplicates Z: 83 37.586 1.964 0.699 0.585 0.890 0.610 CB 1.287 83 residues pruned to eliminate duplicates Z: 30 26.018 2.041 0.675 0.667 0.966 0.655 CB 1.255 30 residues pruned to eliminate duplicates Z: 31 23.188 2.036 0.468 0.677 0.933 0.667 CB 1.289 31 residues pruned to eliminate duplicates Z: 32 25.251 2.038 0.595 0.686 0.903 0.645 CB 1.302 32 residues pruned to eliminate duplicates Z: 27 28.067 2.083 0.611 0.748 0.962 0.808 CB 1.367 27 residues pruned to eliminate duplicates Z: 32 24.748 2.017 0.561 0.659 0.935 0.710 CB 1.302 32 residues pruned to eliminate duplicates Z: 34 25.388 2.030 0.626 0.616 0.970 0.727 CB 1.237 34 residues pruned to eliminate duplicates Z: 31 25.180 2.030 0.572 0.672 0.967 0.667 CB 1.271 31 residues pruned to eliminate duplicates Z: 79 38.955 2.002 0.635 0.623 0.936 0.641 CB 1.282 79 residues pruned to eliminate duplicates Z: 39 29.206 1.968 0.768 0.618 0.974 0.632 CB 1.252 39 residues pruned to eliminate duplicates Z: 35 24.112 2.025 0.554 0.626 0.941 0.676 CB 1.240 35 residues pruned to eliminate duplicates Z: 82 37.452 2.021 0.598 0.612 0.914 0.704 CB 1.268 82 residues pruned to eliminate duplicates Z: 32 26.710 2.039 0.587 0.657 0.968 0.742 CB 1.324 32 residues pruned to eliminate duplicates Z: 31 27.045 2.043 0.670 0.648 0.900 0.567 CB 1.400 31 residues pruned to eliminate duplicates Z: 43 27.794 1.893 0.720 0.642 0.952 0.667 CB 1.212 51 residues pruned to eliminate duplicates Z: 28 27.976 2.052 0.803 0.697 0.926 0.704 CB 1.313 28 residues pruned to eliminate duplicates Z: 37 27.783 2.018 0.676 0.672 0.972 0.611 CB 1.201 37 residues pruned to eliminate duplicates Z: 52 29.905 2.002 0.527 0.638 0.961 0.647 CB 1.253 52 residues pruned to eliminate duplicates Z: 80 40.631 2.018 0.621 0.647 0.949 0.709 CB 1.283 80 residues pruned to eliminate duplicates Z: 82 39.737 2.010 0.627 0.625 0.951 0.630 CB 1.262 82 residues pruned to eliminate duplicates Z: 6 4.271 1.620 0.621 0.285 0.800 0.200 N 1.157 6 residues pruned to eliminate duplicates Z: 81 40.031 2.032 0.603 0.624 0.925 0.637 CB 1.321 81 residues pruned to eliminate duplicates Z: 7 4.548 1.484 0.539 0.493 1.000 0.333 CB 0.819 7 residues pruned to eliminate duplicates Z: 26 16.573 1.999 0.658 0.426 0.920 0.600 CB 1.173 26 residues pruned to eliminate duplicates Z: 45 27.089 1.954 0.710 0.579 0.909 0.591 CB 1.246 45 residues pruned to eliminate duplicates Z: 40 27.121 2.021 0.641 0.563 0.949 0.590 CB 1.299 40 residues pruned to eliminate duplicates Z: 43 29.603 2.036 0.596 0.592 0.952 0.762 CB 1.352 43 residues pruned to eliminate duplicates Z: 42 30.883 2.044 0.675 0.598 0.951 0.659 CB 1.349 43 residues pruned to eliminate duplicates Z: 7 7.338 1.824 0.249 0.450 1.000 0.667 CA 1.384 7 residues pruned to eliminate duplicates Z: 38 29.603 2.016 0.704 0.590 0.946 0.514 CB 1.374 38 residues pruned to eliminate duplicates Z: 37 29.922 2.066 0.713 0.593 0.944 0.667 CB 1.365 37 residues pruned to eliminate duplicates Z: 17 25.768 1.998 0.738 0.796 1.000 0.625 CB 1.431 17 residues pruned to eliminate duplicates Z: 33 28.428 2.021 0.735 0.575 0.938 0.656 CB 1.422 33 residues pruned to eliminate duplicates Z: 37 26.982 2.028 0.621 0.554 0.917 0.583 CB 1.415 37 residues pruned to eliminate duplicates Z: 43 29.330 1.995 0.670 0.557 0.952 0.667 CB 1.350 43 residues pruned to eliminate duplicates Z: 13 19.754 1.972 0.871 0.885 0.917 0.917 CB 1.217 13 residues pruned to eliminate duplicates Z: 40 26.067 1.987 0.623 0.566 0.949 0.667 CB 1.280 38 residues pruned to eliminate duplicates Z: 14 22.720 1.913 0.824 0.844 1.000 0.769 CA 1.344 14 residues pruned to eliminate duplicates Z: 58 30.582 1.976 0.681 0.515 0.877 0.649 CB 1.370 77 residues pruned to eliminate duplicates Z: 13 24.500 2.006 0.776 0.907 1.000 0.833 CA 1.411 13 residues pruned to eliminate duplicates Z: 45 26.643 1.988 0.584 0.571 0.932 0.727 CB 1.278 45 residues pruned to eliminate duplicates Z: 39 26.447 1.993 0.695 0.524 0.921 0.658 CB 1.347 39 residues pruned to eliminate duplicates Z: 45 28.388 2.001 0.645 0.572 0.909 0.659 CB 1.334 45 residues pruned to eliminate duplicates Z: 43 27.309 2.008 0.636 0.546 0.929 0.667 CB 1.321 43 residues pruned to eliminate duplicates Z: 39 27.011 2.022 0.680 0.534 0.921 0.605 CB 1.354 39 residues pruned to eliminate duplicates Z: 37 30.498 2.047 0.739 0.593 0.944 0.667 CB 1.384 37 residues pruned to eliminate duplicates Z: 45 27.297 2.009 0.672 0.537 0.955 0.636 CB 1.238 45 residues pruned to eliminate duplicates Z: 42 29.602 1.987 0.676 0.560 0.976 0.610 CB 1.343 42 residues pruned to eliminate duplicates Z: 37 30.728 2.036 0.824 0.583 0.917 0.667 CB 1.390 37 residues pruned to eliminate duplicates Z: 38 29.721 2.041 0.720 0.578 0.946 0.649 CB 1.365 38 residues pruned to eliminate duplicates Z: 45 24.332 1.965 0.632 0.543 0.886 0.500 CB 1.238 45 residues pruned to eliminate duplicates Z: 44 14.490 1.807 0.433 0.370 0.884 0.488 CB 1.109 44 residues pruned to eliminate duplicates Z: 42 18.913 1.893 0.532 0.421 0.902 0.610 CB 1.225 42 residues pruned to eliminate duplicates Z: 44 17.501 1.861 0.480 0.420 0.884 0.605 CB 1.191 44 residues pruned to eliminate duplicates Z: 33 14.993 1.887 0.367 0.377 0.875 0.688 CB 1.339 33 residues pruned to eliminate duplicates Z: 41 19.491 1.944 0.496 0.447 0.925 0.725 CB 1.210 44 residues pruned to eliminate duplicates Z: 10 11.995 1.760 0.669 0.644 1.000 0.667 CB 1.190 Z: 11 8.544 1.573 0.434 0.660 0.900 0.600 CA 1.148 11 residues pruned to eliminate duplicates Z: 39 20.423 1.914 0.561 0.456 0.895 0.605 CB 1.296 49 residues pruned to eliminate duplicates Z: 39 22.200 1.890 0.536 0.472 0.921 0.632 CB 1.386 39 residues pruned to eliminate duplicates Z: 44 18.946 1.818 0.550 0.409 0.930 0.605 CB 1.213 44 residues pruned to eliminate duplicates Z: 39 23.625 1.908 0.570 0.471 0.947 0.658 CB 1.391 39 residues pruned to eliminate duplicates Z: 41 19.345 1.860 0.493 0.462 0.925 0.600 CB 1.238 41 residues pruned to eliminate duplicates Z: 32 20.673 1.923 0.590 0.488 0.903 0.677 CB 1.361 32 residues pruned to eliminate duplicates Z: 39 22.358 1.929 0.562 0.488 0.921 0.605 CB 1.322 39 residues pruned to eliminate duplicates Z: 37 21.236 1.947 0.470 0.462 0.944 0.667 CB 1.361 37 residues pruned to eliminate duplicates Z: 40 19.222 1.915 0.531 0.434 0.897 0.564 CB 1.252 40 residues pruned to eliminate duplicates Z: 38 16.940 1.903 0.385 0.455 0.865 0.622 CB 1.280 38 residues pruned to eliminate duplicates Z: 40 17.676 1.879 0.510 0.418 0.872 0.590 CB 1.247 40 residues pruned to eliminate duplicates Z: 38 23.659 1.897 0.717 0.503 0.919 0.568 CB 1.295 38 residues pruned to eliminate duplicates Z: 41 15.493 1.866 0.478 0.411 0.900 0.525 CB 1.083 41 residues pruned to eliminate duplicates Z: 26 15.623 1.949 0.510 0.437 0.920 0.560 CB 1.231 26 residues pruned to eliminate duplicates Z: 40 21.616 1.888 0.562 0.488 0.897 0.641 CB 1.324 40 residues pruned to eliminate duplicates Z: 40 19.806 1.879 0.545 0.455 0.872 0.667 CB 1.312 40 residues pruned to eliminate duplicates Z: 26 16.057 1.896 0.614 0.418 0.880 0.680 CB 1.298 26 residues pruned to eliminate duplicates Z: 38 19.983 1.905 0.515 0.467 0.892 0.622 CB 1.319 38 residues pruned to eliminate duplicates Z: 33 19.488 1.919 0.696 0.447 0.906 0.531 CB 1.234 33 residues pruned to eliminate duplicates Z: 15 14.236 1.965 0.674 0.579 0.929 0.643 CB 1.154 15 residues pruned to eliminate duplicates Z: 16 12.684 1.868 0.601 0.603 0.867 0.667 CB 1.145 16 residues pruned to eliminate duplicates Z: 44 20.669 1.890 0.604 0.413 0.884 0.651 CB 1.288 42 residues pruned to eliminate duplicates Z: 6 6.761 1.952 0.275 0.877 1.000 1.000 CB 0.882 6 residues pruned to eliminate duplicates Z: 46 17.981 1.863 0.624 0.399 0.911 0.556 CB 1.082 46 residues pruned to eliminate duplicates Z: 37 19.561 1.958 0.553 0.453 0.917 0.583 CB 1.227 37 residues pruned to eliminate duplicates Z: 41 19.898 1.955 0.499 0.427 0.975 0.675 CB 1.188 41 residues pruned to eliminate duplicates Z: 44 18.327 1.871 0.525 0.423 0.907 0.581 CB 1.170 44 residues pruned to eliminate duplicates Z: 12 8.188 1.576 0.250 0.635 1.000 0.545 CB 1.104 12 residues pruned to eliminate duplicates Z: 31 11.995 1.774 0.262 0.415 0.867 0.467 CB 1.234 31 residues pruned to eliminate duplicates Z: 43 13.398 1.766 0.277 0.415 0.857 0.524 CB 1.169 40 residues pruned to eliminate duplicates Z: 9 9.449 1.782 0.407 0.595 1.000 0.500 CB 1.217 9 residues pruned to eliminate duplicates Z: 32 10.715 1.808 0.235 0.361 0.806 0.548 CB 1.242 32 residues pruned to eliminate duplicates Z: 18 8.705 1.843 0.317 0.385 0.824 0.471 CB 1.193 20 residues pruned to eliminate duplicates Z: 6 3.261 1.614 0.114 0.576 0.600 0.400 O 1.257 6 residues pruned to eliminate duplicates Z: 23 10.235 1.828 0.350 0.351 0.818 0.591 CB 1.269 23 residues pruned to eliminate duplicates Z: 17 8.446 1.798 0.442 0.338 0.875 0.500 CB 1.111 17 residues pruned to eliminate duplicates Z: 80 32.508 1.917 0.634 0.432 0.911 0.519 CB 1.374 81 residues pruned to eliminate duplicates Z: 7 5.189 1.785 0.492 0.306 0.833 0.500 CA 1.184 7 residues pruned to eliminate duplicates Z: 27 10.593 1.808 0.276 0.358 0.808 0.615 CB 1.299 27 residues pruned to eliminate duplicates Z: 33 12.543 1.793 0.423 0.335 0.812 0.500 CB 1.282 33 residues pruned to eliminate duplicates Z: 64 20.273 1.861 0.400 0.396 0.810 0.524 CB 1.352 64 residues pruned to eliminate duplicates Z: 32 11.735 1.800 0.333 0.351 0.806 0.419 CB 1.279 32 residues pruned to eliminate duplicates Z: 40 12.387 1.761 0.293 0.369 0.821 0.462 CB 1.222 40 residues pruned to eliminate duplicates Z: 44 14.099 1.784 0.401 0.359 0.814 0.488 CB 1.230 44 residues pruned to eliminate duplicates Z: 30 11.254 1.745 0.306 0.421 0.828 0.552 CB 1.203 29 residues pruned to eliminate duplicates Z: 7 3.407 1.543 0.335 0.299 0.833 0.333 CB 1.013 7 residues pruned to eliminate duplicates Z: 20 9.587 1.846 0.407 0.369 0.789 0.526 CB 1.235 20 residues pruned to eliminate duplicates Z: 42 15.094 1.766 0.477 0.385 0.829 0.537 CB 1.231 42 residues pruned to eliminate duplicates Z: 6 6.119 1.644 0.499 0.848 1.000 0.200 CB 0.824 6 residues pruned to eliminate duplicates Z: 20 12.130 1.822 0.358 0.503 0.947 0.474 CB 1.183 20 residues pruned to eliminate duplicates Z: 20 9.414 1.818 0.411 0.445 0.842 0.368 CB 1.058 20 residues pruned to eliminate duplicates Z: 20 10.398 1.851 0.407 0.469 0.842 0.526 CB 1.123 20 residues pruned to eliminate duplicates Z: 44 14.761 1.773 0.328 0.360 0.907 0.488 CB 1.226 44 residues pruned to eliminate duplicates Z: 19 11.588 1.838 0.591 0.492 0.889 0.444 CB 1.059 19 residues pruned to eliminate duplicates Z: 31 14.178 1.840 0.540 0.368 0.867 0.500 CB 1.214 31 residues pruned to eliminate duplicates Z: 46 18.531 1.843 0.532 0.363 0.889 0.422 CB 1.275 46 residues pruned to eliminate duplicates Z: 20 9.980 1.810 0.422 0.352 0.895 0.368 CB 1.166 20 residues pruned to eliminate duplicates Z: 13 5.029 1.692 0.342 0.188 0.833 0.167 CB 1.114 13 residues pruned to eliminate duplicates Z: 25 14.154 1.840 0.636 0.298 0.917 0.333 CB 1.312 25 residues pruned to eliminate duplicates Z: 12 3.850 1.652 0.290 0.161 0.727 0.364 CB 1.133 12 residues pruned to eliminate duplicates Z: 25 14.491 1.839 0.519 0.348 0.958 0.417 CB 1.302 25 residues pruned to eliminate duplicates Z: 18 10.723 1.782 0.490 0.454 0.882 0.647 CA 1.163 18 residues pruned to eliminate duplicates Z: 11 5.336 1.791 0.236 0.259 0.800 0.400 CB 1.256 11 residues pruned to eliminate duplicates Z: 11 4.819 1.664 0.609 0.418 0.700 0.300 CB 0.886 11 residues pruned to eliminate duplicates Z: 18 12.984 1.924 0.503 0.373 0.941 0.412 CA 1.326 18 residues pruned to eliminate duplicates Z: 18 11.836 1.874 0.595 0.361 0.824 0.471 CB 1.355 18 residues pruned to eliminate duplicates Z: 18 13.613 1.911 0.544 0.341 0.941 0.412 CA 1.414 18 residues pruned to eliminate duplicates Z: 42 32.974 1.983 0.803 0.513 0.951 0.683 CA 1.495 42 residues pruned to eliminate duplicates Z: 15 12.699 1.828 0.958 0.401 0.786 0.429 CB 1.340 15 residues pruned to eliminate duplicates Z: 40 29.149 1.978 0.683 0.521 0.923 0.615 CA 1.489 40 residues pruned to eliminate duplicates Z: 17 14.367 1.825 0.744 0.435 0.875 0.500 CB 1.379 17 residues pruned to eliminate duplicates Z: 17 11.795 1.854 0.649 0.391 0.812 0.312 CB 1.333 17 residues pruned to eliminate duplicates Z: 17 16.972 1.903 0.937 0.392 0.875 0.438 CB 1.474 17 residues pruned to eliminate duplicates Z: 17 18.373 1.863 0.898 0.409 0.938 0.500 CB 1.525 17 residues pruned to eliminate duplicates Z: 19 15.617 1.925 0.728 0.356 0.944 0.444 CA 1.369 19 residues pruned to eliminate duplicates Z: 41 34.004 1.988 0.819 0.493 1.000 0.500 CA 1.497 41 residues pruned to eliminate duplicates Z: 42 30.412 1.958 0.674 0.491 1.000 0.610 CB 1.462 42 residues pruned to eliminate duplicates Z: 19 13.965 1.948 0.484 0.332 0.944 0.444 CB 1.449 19 residues pruned to eliminate duplicates Z: 35 23.502 1.953 0.647 0.448 0.912 0.588 CB 1.449 35 residues pruned to eliminate duplicates Z: 43 27.553 1.955 0.665 0.465 0.929 0.571 CB 1.458 43 residues pruned to eliminate duplicates Z: 42 31.391 1.960 0.743 0.508 0.976 0.585 CB 1.459 42 residues pruned to eliminate duplicates Z: 20 19.054 2.006 0.612 0.496 0.947 0.789 CB 1.433 20 residues pruned to eliminate duplicates Z: 21 17.206 1.931 0.622 0.452 0.900 0.550 CB 1.434 21 residues pruned to eliminate duplicates Z: 43 25.725 1.939 0.688 0.459 0.881 0.548 CB 1.436 43 residues pruned to eliminate duplicates Z: 26 18.291 1.894 0.575 0.543 0.960 0.560 CB 1.224 26 residues pruned to eliminate duplicates Z: 43 28.098 1.931 0.732 0.499 0.929 0.500 CB 1.397 43 residues pruned to eliminate duplicates Z: 43 27.892 1.909 0.771 0.497 0.905 0.405 CB 1.411 43 residues pruned to eliminate duplicates Z: 41 27.999 1.956 0.866 0.471 0.875 0.525 CB 1.428 41 residues pruned to eliminate duplicates Z: 30 30.065 1.964 0.907 0.573 1.000 0.759 CB 1.389 30 residues pruned to eliminate duplicates Z: 20 18.027 1.995 0.649 0.501 0.895 0.737 CB 1.403 20 residues pruned to eliminate duplicates Z: 43 31.873 1.949 0.888 0.492 0.952 0.548 CB 1.415 43 residues pruned to eliminate duplicates Z: 30 27.535 1.974 0.826 0.560 0.966 0.621 CB 1.386 30 residues pruned to eliminate duplicates Z: 45 28.660 1.877 0.809 0.467 0.955 0.477 CB 1.379 45 residues pruned to eliminate duplicates Z: 25 28.333 2.018 0.930 0.613 0.917 0.750 CB 1.455 25 residues pruned to eliminate duplicates Z: 42 30.099 1.969 0.756 0.474 0.951 0.561 CB 1.467 42 residues pruned to eliminate duplicates Z: 43 30.019 1.956 0.835 0.482 0.929 0.476 CB 1.415 43 residues pruned to eliminate duplicates Z: 10 12.686 1.961 0.641 0.582 0.889 0.778 CA 1.367 10 residues pruned to eliminate duplicates Z: 43 25.772 1.942 0.678 0.450 0.929 0.429 CB 1.385 43 residues pruned to eliminate duplicates Z: 34 20.373 1.795 0.728 0.509 0.909 0.515 CB 1.247 34 residues pruned to eliminate duplicates Z: 42 32.075 1.947 0.969 0.487 0.927 0.634 CB 1.429 42 residues pruned to eliminate duplicates Z: 42 30.600 1.955 0.843 0.494 0.927 0.585 CB 1.440 42 residues pruned to eliminate duplicates Z: 42 28.571 1.944 0.709 0.465 0.951 0.512 CB 1.463 42 residues pruned to eliminate duplicates Z: 28 15.379 1.913 0.438 0.451 0.889 0.444 CB 1.273 12 residues pruned to eliminate duplicates 6 1.295 1.478 0.322 0.278 0.800 0.600 CB 0.476 ? Z: 9 4.040 1.351 0.975 0.345 0.875 0.500 CB 0.724 9 residues pruned to eliminate duplicates Z: 23 22.001 2.062 0.888 0.467 0.864 0.545 CB 1.443 53 residues pruned to eliminate duplicates Z: 42 21.050 1.925 0.559 0.490 0.878 0.585 CB 1.260 Z: 8 3.536 1.299 0.630 0.420 0.857 0.429 N 0.801 8 residues pruned to eliminate duplicates Z: 10 6.576 1.823 0.247 0.447 0.889 0.444 CA 1.145 10 residues pruned to eliminate duplicates Z: 38 20.533 1.927 0.570 0.483 0.865 0.486 CA 1.312 38 residues pruned to eliminate duplicates Z: 39 20.737 1.893 0.578 0.528 0.895 0.526 CB 1.224 39 residues pruned to eliminate duplicates Z: 28 13.424 1.859 0.503 0.506 0.815 0.519 CB 1.129 28 residues pruned to eliminate duplicates Z: 32 17.391 1.895 0.653 0.495 0.871 0.516 CB 1.151 51 residues pruned to eliminate duplicates Z: 18 15.292 1.738 0.639 0.789 0.882 0.706 CA 1.145 18 residues pruned to eliminate duplicates Z: 26 17.651 1.978 0.469 0.632 0.840 0.680 CB 1.278 26 residues pruned to eliminate duplicates Z: 37 20.871 1.932 0.479 0.496 0.944 0.583 CA 1.294 37 residues pruned to eliminate duplicates Z: 60 22.678 1.872 0.643 0.428 0.864 0.407 CB 1.196 102 residues pruned to eliminate duplicates Z: 15 12.275 1.944 0.440 0.563 1.000 0.786 CB 1.102 Z: 11 15.054 1.877 0.412 0.874 1.000 0.900 CB 1.308 8 residues pruned to eliminate duplicates Z: 12 13.016 1.825 0.205 0.899 1.000 0.818 CA 1.275 11 residues pruned to eliminate duplicates Z: 12 11.632 1.771 0.402 0.728 0.818 0.727 CB 1.406 12 residues pruned to eliminate duplicates Z: 30 17.663 1.888 0.428 0.505 0.931 0.724 CB 1.300 28 residues pruned to eliminate duplicates Z: 10 12.988 1.923 0.161 0.818 1.000 0.667 CA 1.471 10 residues pruned to eliminate duplicates Z: 34 22.522 1.869 0.641 0.579 0.879 0.424 CA 1.348 37 residues pruned to eliminate duplicates Z: 16 14.159 1.710 0.494 0.581 0.933 0.600 CB 1.419 16 residues pruned to eliminate duplicates Z: 43 23.295 1.908 0.602 0.517 0.905 0.548 CB 1.278 34 residues pruned to eliminate duplicates Z: 11 10.409 1.678 0.779 0.777 0.900 0.400 CB 0.959 8 residues pruned to eliminate duplicates Z: 9 12.861 1.637 1.016 0.905 1.000 0.250 CB 0.981 9 residues pruned to eliminate duplicates Z: 14 10.044 1.810 0.393 0.589 0.923 0.615 CB 1.099 14 residues pruned to eliminate duplicates Z: 11 9.190 1.861 0.396 0.570 0.900 0.400 CA 1.162 11 residues pruned to eliminate duplicates Z: 13 8.542 1.796 0.268 0.466 0.917 0.500 CA 1.223 13 residues pruned to eliminate duplicates Z: 13 6.077 1.772 0.170 0.409 1.000 0.417 CB 0.931 13 residues pruned to eliminate duplicates Z: 46 23.138 1.899 0.472 0.499 0.978 0.667 CB 1.264 44 residues pruned to eliminate duplicates Z: 26 28.988 1.910 0.894 0.783 1.000 0.840 CA 1.249 26 residues pruned to eliminate duplicates Z: 45 28.829 1.866 0.686 0.567 0.932 0.636 CA 1.389 45 residues pruned to eliminate duplicates Z: 25 23.538 2.009 0.521 0.700 1.000 0.792 CA 1.311 25 residues pruned to eliminate duplicates Z: 27 32.921 2.000 0.825 0.743 1.000 0.808 CA 1.423 27 residues pruned to eliminate duplicates Z: 35 18.028 1.856 0.516 0.460 0.912 0.559 CB 1.255 35 residues pruned to eliminate duplicates Z: 30 27.253 1.973 0.805 0.680 0.897 0.655 CA 1.343 30 residues pruned to eliminate duplicates Z: 36 32.119 2.016 0.794 0.661 0.943 0.657 CB 1.372 36 residues pruned to eliminate duplicates Z: 34 24.707 1.895 0.726 0.587 0.909 0.576 CA 1.331 34 residues pruned to eliminate duplicates Z: 28 33.994 2.019 0.903 0.734 0.963 0.778 CA 1.432 28 residues pruned to eliminate duplicates Z: 30 26.079 1.966 0.735 0.677 0.897 0.655 CA 1.345 30 residues pruned to eliminate duplicates Z: 26 28.676 1.953 0.839 0.778 0.920 0.640 CA 1.358 26 residues pruned to eliminate duplicates Z: 30 29.773 1.964 0.934 0.677 0.897 0.586 CA 1.379 30 residues pruned to eliminate duplicates Z: 63 41.045 2.038 0.832 0.599 0.919 0.661 CA 1.382 63 residues pruned to eliminate duplicates Z: 27 32.308 1.997 0.931 0.725 1.000 0.692 CA 1.341 27 residues pruned to eliminate duplicates Z: 35 29.182 1.944 0.754 0.683 0.941 0.618 CA 1.318 35 residues pruned to eliminate duplicates Z: 27 31.689 2.009 0.922 0.756 0.923 0.731 CA 1.389 27 residues pruned to eliminate duplicates Z: 26 31.376 1.981 0.931 0.784 0.880 0.720 CB 1.451 26 residues pruned to eliminate duplicates Z: 26 29.243 2.031 0.929 0.744 0.840 0.520 CA 1.429 26 residues pruned to eliminate duplicates Z: 29 32.809 2.024 0.893 0.688 0.964 0.714 CA 1.413 29 residues pruned to eliminate duplicates Z: 36 37.322 2.036 0.914 0.622 1.000 0.571 CA 1.444 36 residues pruned to eliminate duplicates Z: 26 29.527 2.006 1.172 0.713 0.840 0.560 CA 1.330 26 residues pruned to eliminate duplicates Z: 26 27.905 2.006 0.927 0.738 0.920 0.560 CA 1.267 26 residues pruned to eliminate duplicates Z: 38 32.961 2.027 0.980 0.677 0.892 0.649 CB 1.286 38 residues pruned to eliminate duplicates Z: 40 30.728 2.010 0.837 0.652 0.949 0.538 CB 1.220 40 residues pruned to eliminate duplicates Z: 41 28.664 1.932 0.836 0.554 0.950 0.575 CB 1.275 41 residues pruned to eliminate duplicates Z: 32 32.442 1.994 0.903 0.684 0.935 0.742 CA 1.387 32 residues pruned to eliminate duplicates Z: 34 29.473 1.960 0.865 0.651 0.879 0.636 CB 1.388 34 residues pruned to eliminate duplicates Z: 34 33.095 2.005 0.871 0.653 1.000 0.606 CA 1.332 34 residues pruned to eliminate duplicates Z: 39 28.531 1.963 0.705 0.639 0.974 0.579 CB 1.248 39 residues pruned to eliminate duplicates Z: 56 28.412 1.886 0.738 0.543 0.945 0.600 CB 1.185 56 residues pruned to eliminate duplicates Z: 41 27.762 1.943 0.668 0.625 0.975 0.550 CB 1.236 41 residues pruned to eliminate duplicates Z: 39 31.199 1.926 0.943 0.642 0.895 0.553 CB 1.323 39 residues pruned to eliminate duplicates Z: 8 4.417 1.596 0.423 0.419 0.857 0.571 CB 0.933 Z: 7 8.487 1.739 0.918 0.269 1.000 0.500 CA 1.350 7 residues pruned to eliminate duplicates Z: 38 28.793 2.026 0.752 0.609 0.919 0.676 CA 1.309 38 residues pruned to eliminate duplicates Z: 38 22.582 2.038 0.571 0.493 0.919 0.676 CA 1.271 38 residues pruned to eliminate duplicates Z: 80 40.541 2.035 0.750 0.519 0.886 0.722 CA 1.419 80 residues pruned to eliminate duplicates Z: 72 39.999 2.064 0.804 0.518 0.887 0.592 CA 1.411 72 residues pruned to eliminate duplicates Z: 42 22.401 1.976 0.521 0.484 0.902 0.610 CA 1.310 42 residues pruned to eliminate duplicates Z: 39 27.826 1.999 0.813 0.541 0.921 0.500 CB 1.299 39 residues pruned to eliminate duplicates Z: 82 42.096 2.042 0.809 0.506 0.914 0.617 CA 1.377 82 residues pruned to eliminate duplicates Z: 42 28.244 2.015 0.822 0.539 0.951 0.610 CA 1.215 42 residues pruned to eliminate duplicates Z: 45 28.426 2.006 0.741 0.507 0.955 0.477 CA 1.277 53 residues pruned to eliminate duplicates Z: 82 39.175 1.965 0.706 0.535 0.938 0.593 CB 1.337 82 residues pruned to eliminate duplicates Z: 39 31.054 2.024 0.792 0.584 0.974 0.658 CA 1.316 39 residues pruned to eliminate duplicates Z: 40 27.896 2.051 0.808 0.559 0.897 0.615 CA 1.267 40 residues pruned to eliminate duplicates Z: 45 25.680 2.005 0.692 0.496 0.909 0.636 CA 1.260 45 residues pruned to eliminate duplicates Z: 80 38.929 2.041 0.758 0.489 0.873 0.582 CA 1.412 80 residues pruned to eliminate duplicates Z: 44 27.651 1.993 0.735 0.523 0.953 0.628 CB 1.251 44 residues pruned to eliminate duplicates Z: 42 23.619 1.992 0.731 0.496 0.878 0.780 CA 1.223 42 residues pruned to eliminate duplicates Z: 30 25.458 2.006 0.762 0.540 1.000 0.655 CA 1.286 30 residues pruned to eliminate duplicates Z: 46 25.373 1.990 0.718 0.471 0.911 0.622 CA 1.251 46 residues pruned to eliminate duplicates Z: 80 43.642 2.058 0.799 0.526 0.911 0.671 CB 1.419 80 residues pruned to eliminate duplicates Z: 78 41.545 2.007 0.803 0.570 0.948 0.610 CA 1.291 78 residues pruned to eliminate duplicates Z: 38 28.998 2.035 0.736 0.586 0.946 0.676 CA 1.314 38 residues pruned to eliminate duplicates Z: 57 38.038 2.057 0.853 0.539 0.875 0.607 CA 1.467 57 residues pruned to eliminate duplicates Z: 41 28.945 1.984 0.745 0.533 0.950 0.600 CA 1.347 41 residues pruned to eliminate duplicates Z: 62 31.668 2.001 0.766 0.475 0.869 0.557 CA 1.355 62 residues pruned to eliminate duplicates Z: 79 45.810 2.075 0.762 0.544 0.923 0.705 CA 1.471 79 residues pruned to eliminate duplicates Z: 84 43.460 2.038 0.823 0.504 0.928 0.627 CB 1.379 84 residues pruned to eliminate duplicates Z: 83 39.771 2.048 0.750 0.506 0.878 0.585 CA 1.388 83 residues pruned to eliminate duplicates Z: 19 19.499 2.107 0.928 0.377 0.833 0.500 CB 1.547 19 residues pruned to eliminate duplicates Z: 41 35.983 2.077 0.916 0.529 0.925 0.625 CB 1.502 41 residues pruned to eliminate duplicates Z: 38 34.342 2.089 0.931 0.549 0.919 0.595 CB 1.452 38 residues pruned to eliminate duplicates Z: 42 33.726 2.082 0.914 0.505 0.878 0.585 CB 1.497 42 residues pruned to eliminate duplicates Z: 41 31.302 2.095 0.769 0.514 0.875 0.625 CB 1.505 41 residues pruned to eliminate duplicates Z: 78 43.069 2.061 0.868 0.495 0.922 0.584 CA 1.390 78 residues pruned to eliminate duplicates Z: 40 35.763 2.109 0.899 0.528 0.923 0.615 CB 1.506 40 residues pruned to eliminate duplicates Z: 78 44.184 2.077 0.752 0.520 0.935 0.545 CA 1.450 78 residues pruned to eliminate duplicates Z: 79 46.985 2.070 0.835 0.528 0.949 0.654 CA 1.436 79 residues pruned to eliminate duplicates Z: 40 33.009 2.091 0.676 0.527 0.974 0.615 CB 1.507 40 residues pruned to eliminate duplicates Z: 41 31.856 2.096 0.824 0.510 0.875 0.600 CB 1.491 41 residues pruned to eliminate duplicates Z: 41 34.244 2.090 0.884 0.514 0.925 0.575 CB 1.466 41 residues pruned to eliminate duplicates Z: 41 34.285 2.098 0.886 0.491 0.925 0.575 CB 1.494 41 residues pruned to eliminate duplicates Z: 84 38.968 2.036 0.766 0.502 0.867 0.590 CA 1.367 84 residues pruned to eliminate duplicates Z: 41 31.668 2.081 0.833 0.491 0.900 0.550 CB 1.472 41 residues pruned to eliminate duplicates Z: 41 34.544 2.105 0.929 0.499 0.900 0.625 CB 1.496 41 residues pruned to eliminate duplicates Z: 85 45.523 2.040 0.819 0.516 0.952 0.560 CA 1.383 85 residues pruned to eliminate duplicates Z: 41 32.885 2.104 0.848 0.476 0.900 0.500 CB 1.523 41 residues pruned to eliminate duplicates Z: 29 27.883 2.057 0.841 0.538 0.893 0.714 CA 1.501 29 residues pruned to eliminate duplicates Z: 75 41.802 2.035 0.776 0.478 0.919 0.473 CB 1.497 75 residues pruned to eliminate duplicates Z: 41 30.653 2.068 0.827 0.489 0.925 0.550 CB 1.403 41 residues pruned to eliminate duplicates Z: 28 26.488 2.038 0.814 0.556 0.889 0.667 CA 1.469 28 residues pruned to eliminate duplicates Z: 29 25.046 2.005 0.812 0.522 0.857 0.536 CA 1.487 29 residues pruned to eliminate duplicates Z: 42 31.676 2.043 0.917 0.485 0.902 0.439 CB 1.421 42 residues pruned to eliminate duplicates Z: 28 29.790 2.049 0.924 0.538 0.926 0.481 CA 1.513 28 residues pruned to eliminate duplicates Z: 23 24.248 1.904 1.027 0.441 0.955 0.273 CB 1.492 23 residues pruned to eliminate duplicates Z: 41 36.925 2.105 0.990 0.505 0.925 0.500 CB 1.500 41 residues pruned to eliminate duplicates Z: 42 30.697 2.060 0.909 0.470 0.878 0.561 CB 1.432 42 residues pruned to eliminate duplicates Z: 30 27.294 1.957 0.931 0.526 0.931 0.517 CA 1.404 30 residues pruned to eliminate duplicates Z: 32 24.905 2.032 0.753 0.551 0.839 0.548 CB 1.425 32 residues pruned to eliminate duplicates Z: 41 35.666 2.072 0.928 0.531 0.975 0.550 CB 1.404 41 residues pruned to eliminate duplicates Z: 7 3.842 1.440 0.497 0.392 0.833 0.500 CB 0.978 Z: 24 23.272 1.960 0.392 0.816 0.957 0.696 CA 1.413 26 residues pruned to eliminate duplicates Z: 26 25.732 1.890 0.564 0.793 0.920 0.760 CA 1.464 26 residues pruned to eliminate duplicates Z: 34 24.605 1.882 0.472 0.701 1.000 0.727 CA 1.287 34 residues pruned to eliminate duplicates Z: 34 25.819 1.920 0.528 0.662 0.970 0.636 CB 1.359 34 residues pruned to eliminate duplicates Z: 78 30.738 1.892 0.467 0.534 0.896 0.636 CB 1.362 78 residues pruned to eliminate duplicates Z: 35 27.712 1.886 0.552 0.693 0.971 0.618 CB 1.402 34 residues pruned to eliminate duplicates Z: 23 27.163 2.003 0.520 0.820 0.955 0.727 CB 1.510 23 residues pruned to eliminate duplicates Z: 36 27.037 1.869 0.529 0.704 1.000 0.714 CB 1.328 36 residues pruned to eliminate duplicates Z: 78 35.875 1.907 0.528 0.626 0.935 0.610 CB 1.332 78 residues pruned to eliminate duplicates Z: 33 25.188 1.908 0.521 0.657 0.969 0.625 CB 1.369 33 residues pruned to eliminate duplicates Z: 26 29.769 1.930 0.702 0.765 0.960 0.600 CB 1.493 26 residues pruned to eliminate duplicates Z: 34 27.712 1.933 0.569 0.700 0.970 0.727 CA 1.367 34 residues pruned to eliminate duplicates Z: 33 24.001 1.913 0.596 0.675 0.938 0.719 CB 1.262 33 residues pruned to eliminate duplicates Z: 38 26.447 1.936 0.572 0.687 0.892 0.676 CB 1.349 38 residues pruned to eliminate duplicates Z: 22 26.447 1.993 0.734 0.857 0.857 0.714 CB 1.436 22 residues pruned to eliminate duplicates Z: 36 24.417 1.840 0.559 0.623 0.943 0.571 CB 1.358 36 residues pruned to eliminate duplicates Z: 78 37.154 1.916 0.526 0.630 0.935 0.545 CB 1.371 79 residues pruned to eliminate duplicates Z: 24 30.948 1.914 0.679 0.872 1.000 0.696 CA 1.464 24 residues pruned to eliminate duplicates Z: 78 35.694 1.891 0.590 0.607 0.896 0.610 CB 1.363 78 residues pruned to eliminate duplicates Z: 31 31.533 1.951 0.634 0.752 1.000 0.700 CB 1.443 31 residues pruned to eliminate duplicates Z: 33 28.739 1.953 0.588 0.723 1.000 0.531 CA 1.339 33 residues pruned to eliminate duplicates Z: 36 26.375 1.901 0.540 0.685 0.971 0.600 CA 1.322 36 residues pruned to eliminate duplicates Z: 34 27.593 1.924 0.598 0.691 0.970 0.697 CA 1.352 33 residues pruned to eliminate duplicates Z: 24 25.167 1.991 0.686 0.762 0.913 0.565 CB 1.357 24 residues pruned to eliminate duplicates Z: 62 30.179 1.894 0.523 0.599 0.918 0.492 CB 1.328 62 residues pruned to eliminate duplicates Z: 40 21.310 1.885 0.551 0.492 0.897 0.513 CB 1.312 40 residues pruned to eliminate duplicates Z: 33 29.381 1.921 0.667 0.671 1.000 0.594 CB 1.385 33 residues pruned to eliminate duplicates Z: 6 3.737 1.543 0.547 0.327 0.800 0.200 CA 1.058 6 residues pruned to eliminate duplicates Z: 47 23.409 1.861 0.517 0.518 0.913 0.500 CB 1.315 47 residues pruned to eliminate duplicates Z: 38 24.093 1.864 0.540 0.554 0.973 0.649 CB 1.346 38 residues pruned to eliminate duplicates Z: 60 28.042 1.907 0.513 0.495 0.915 0.458 CB 1.390 85 residues pruned to eliminate duplicates Z: 6 3.073 1.300 0.710 0.477 0.600 0.600 CA 1.055 6 residues pruned to eliminate duplicates Z: 85 35.238 1.922 0.582 0.512 0.917 0.619 CB 1.363 85 residues pruned to eliminate duplicates Z: 42 23.560 1.904 0.432 0.592 0.902 0.659 CB 1.370 42 residues pruned to eliminate duplicates Z: 44 24.770 1.916 0.446 0.550 0.907 0.605 CB 1.432 44 residues pruned to eliminate duplicates Z: 39 21.251 1.889 0.519 0.525 0.842 0.605 CA 1.391 39 residues pruned to eliminate duplicates Z: 81 37.325 1.923 0.614 0.529 0.913 0.625 CB 1.431 81 residues pruned to eliminate duplicates Z: 78 38.159 1.920 0.573 0.615 0.935 0.545 CB 1.381 78 residues pruned to eliminate duplicates Z: 37 22.292 1.936 0.487 0.567 0.861 0.639 CB 1.404 37 residues pruned to eliminate duplicates Z: 38 22.040 1.922 0.539 0.565 0.865 0.703 CA 1.330 38 residues pruned to eliminate duplicates Z: 37 23.774 1.925 0.582 0.559 0.889 0.556 CB 1.382 37 residues pruned to eliminate duplicates Z: 42 25.399 1.920 0.535 0.558 0.902 0.610 CB 1.410 42 residues pruned to eliminate duplicates Z: 81 38.548 1.954 0.680 0.508 0.913 0.588 CB 1.428 81 residues pruned to eliminate duplicates Z: 48 26.430 1.836 0.580 0.540 0.936 0.702 CA 1.365 48 residues pruned to eliminate duplicates Z: 38 24.909 1.918 0.588 0.567 0.919 0.595 CB 1.371 38 residues pruned to eliminate duplicates Z: 47 24.375 1.894 0.503 0.545 0.891 0.522 CB 1.355 47 residues pruned to eliminate duplicates Z: 45 24.567 1.901 0.485 0.539 0.909 0.636 CB 1.388 45 residues pruned to eliminate duplicates Z: 39 24.744 1.900 0.654 0.516 0.921 0.553 CB 1.365 39 residues pruned to eliminate duplicates Z: 28 23.142 1.977 0.530 0.605 0.889 0.519 CB 1.499 28 residues pruned to eliminate duplicates Z: 40 27.414 1.953 0.557 0.579 0.923 0.538 CB 1.450 40 residues pruned to eliminate duplicates Z: 49 24.961 1.878 0.586 0.506 0.917 0.500 CB 1.311 49 residues pruned to eliminate duplicates Z: 49 24.011 1.883 0.560 0.499 0.917 0.542 CB 1.288 49 residues pruned to eliminate duplicates Z: 54 27.147 1.923 0.547 0.485 0.906 0.566 CB 1.405 54 residues pruned to eliminate duplicates Z: 42 24.433 1.917 0.545 0.532 0.902 0.707 CB 1.384 42 residues pruned to eliminate duplicates Z: 21 20.869 1.919 0.696 0.704 0.900 0.600 CB 1.322 21 residues pruned to eliminate duplicates Z: 37 25.068 1.933 0.650 0.560 0.889 0.583 CB 1.390 37 residues pruned to eliminate duplicates Z: 47 22.542 1.833 0.611 0.506 0.870 0.609 CB 1.287 47 residues pruned to eliminate duplicates Z: 37 24.480 1.911 0.557 0.557 0.917 0.556 CB 1.415 37 residues pruned to eliminate duplicates Z: 38 23.350 1.911 0.659 0.541 0.865 0.432 CB 1.345 38 residues pruned to eliminate duplicates Z: 15 14.226 1.913 0.734 0.683 0.857 0.429 CB 1.130 15 residues pruned to eliminate duplicates Z: 18 10.730 1.699 0.392 0.536 0.941 0.647 CB 1.128 18 residues pruned to eliminate duplicates Z: 121 48.111 1.939 0.628 0.571 0.942 0.625 CB 1.379 121 residues pruned to eliminate duplicates Z: 9 6.752 1.594 0.591 0.570 1.000 0.625 CB 0.880 Z: 9 7.743 1.504 0.588 0.633 0.875 0.625 CB 1.156 9 residues pruned to eliminate duplicates Z: 8 9.762 1.570 0.854 0.801 0.857 0.714 CB 1.137 8 residues pruned to eliminate duplicates Z: 6 8.594 1.613 0.620 0.773 1.000 1.000 CA 1.155 6 residues pruned to eliminate duplicates Z: 31 12.612 1.847 0.372 0.387 0.900 0.533 CB 1.139 20 residues pruned to eliminate duplicates Z: 14 12.641 1.967 0.361 0.612 0.923 0.769 CB 1.276 14 residues pruned to eliminate duplicates Z: 17 13.441 1.895 0.481 0.451 0.938 0.438 CB 1.343 18 residues pruned to eliminate duplicates Z: 10 6.806 1.862 0.300 0.482 0.667 0.444 CB 1.432 10 residues pruned to eliminate duplicates Z: 44 17.293 1.875 0.522 0.371 0.884 0.488 CB 1.201 33 residues pruned to eliminate duplicates Z: 14 10.186 1.930 0.140 0.634 0.923 0.538 CB 1.227 14 residues pruned to eliminate duplicates Z: 39 16.737 1.855 0.474 0.377 0.921 0.421 CB 1.230 39 residues pruned to eliminate duplicates Z: 31 13.412 1.857 0.473 0.341 0.833 0.367 CB 1.277 31 residues pruned to eliminate duplicates Z: 44 16.060 1.855 0.482 0.378 0.860 0.465 CB 1.180 44 residues pruned to eliminate duplicates Z: 42 18.039 1.929 0.489 0.400 0.902 0.512 CB 1.208 44 residues pruned to eliminate duplicates Z: 6 4.312 1.701 0.538 0.332 0.800 0.800 CA 1.108 6 residues pruned to eliminate duplicates Z: 20 12.494 1.972 0.271 0.407 0.947 0.526 CB 1.331 20 residues pruned to eliminate duplicates Z: 34 12.769 1.867 0.584 0.345 0.697 0.485 CB 1.276 34 residues pruned to eliminate duplicates Z: 34 12.841 1.819 0.425 0.355 0.818 0.545 CB 1.233 34 residues pruned to eliminate duplicates Z: 44 18.212 1.864 0.576 0.390 0.860 0.512 CB 1.234 44 residues pruned to eliminate duplicates Z: 39 16.584 1.810 0.544 0.386 0.895 0.500 CB 1.215 39 residues pruned to eliminate duplicates Z: 21 9.444 1.779 0.728 0.389 0.800 0.350 CB 0.966 21 residues pruned to eliminate duplicates Z: 44 18.480 1.867 0.555 0.378 0.930 0.535 CB 1.189 42 residues pruned to eliminate duplicates Z: 8 7.488 1.645 0.540 0.693 1.000 0.571 CB 0.936 8 residues pruned to eliminate duplicates Z: 39 16.123 1.860 0.655 0.403 0.842 0.526 CB 1.117 39 residues pruned to eliminate duplicates Z: 44 17.147 1.850 0.578 0.381 0.860 0.558 CB 1.182 44 residues pruned to eliminate duplicates Z: 43 17.047 1.854 0.505 0.380 0.881 0.524 CB 1.216 43 residues pruned to eliminate duplicates Z: 27 9.496 1.755 0.512 0.348 0.808 0.269 CB 1.025 27 residues pruned to eliminate duplicates Z: 45 15.401 1.877 0.429 0.356 0.864 0.477 CB 1.170 45 residues pruned to eliminate duplicates Z: 40 14.839 1.904 0.380 0.369 0.872 0.462 CB 1.194 40 residues pruned to eliminate duplicates Z: 42 16.215 1.881 0.458 0.348 0.878 0.439 CB 1.240 42 residues pruned to eliminate duplicates Z: 13 7.938 1.915 0.634 0.251 0.917 0.417 CB 1.063 13 residues pruned to eliminate duplicates Z: 42 17.555 1.904 0.555 0.381 0.878 0.512 CB 1.197 42 residues pruned to eliminate duplicates Z: 44 16.679 1.851 0.542 0.373 0.837 0.605 CB 1.220 44 residues pruned to eliminate duplicates Z: 21 9.702 1.822 0.562 0.227 0.850 0.350 CB 1.233 21 residues pruned to eliminate duplicates Z: 48 15.653 1.842 0.550 0.305 0.851 0.468 CB 1.168 48 residues pruned to eliminate duplicates Z: 41 18.122 1.893 0.585 0.420 0.875 0.675 CB 1.186 41 residues pruned to eliminate duplicates Z: 18 8.678 1.867 0.537 0.273 0.824 0.412 CB 1.153 18 residues pruned to eliminate duplicates Z: 21 12.393 1.878 0.482 0.448 0.950 0.400 CB 1.106 25 residues pruned to eliminate duplicates Z: 9 14.797 1.924 0.897 0.577 0.875 0.250 CA 1.522 9 residues pruned to eliminate duplicates Z: 18 16.761 1.963 0.541 0.402 0.941 0.529 CB 1.584 18 residues pruned to eliminate duplicates Z: 42 31.401 1.999 0.706 0.511 0.976 0.610 CB 1.458 42 residues pruned to eliminate duplicates Z: 45 29.462 1.936 0.753 0.463 0.955 0.568 CB 1.424 45 residues pruned to eliminate duplicates Z: 21 14.006 1.902 0.785 0.321 0.800 0.450 CB 1.404 21 residues pruned to eliminate duplicates Z: 40 35.354 2.024 0.821 0.531 1.000 0.667 CB 1.490 40 residues pruned to eliminate duplicates Z: 18 17.626 1.961 0.735 0.384 1.000 0.529 CB 1.420 18 residues pruned to eliminate duplicates Z: 25 18.569 1.867 0.884 0.339 0.917 0.375 CB 1.401 25 residues pruned to eliminate duplicates Z: 42 34.134 1.989 0.811 0.503 1.000 0.659 CB 1.475 42 residues pruned to eliminate duplicates Z: 6 4.072 1.476 0.356 0.379 1.000 0.400 N 1.035 6 residues pruned to eliminate duplicates Z: 21 12.017 1.940 0.754 0.278 0.850 0.350 CB 1.193 21 residues pruned to eliminate duplicates Z: 43 30.237 1.993 0.791 0.436 0.952 0.524 CB 1.466 43 residues pruned to eliminate duplicates Z: 40 29.159 2.042 0.764 0.490 0.923 0.487 CB 1.419 40 residues pruned to eliminate duplicates Z: 43 31.151 1.957 0.859 0.504 0.952 0.619 CB 1.381 43 residues pruned to eliminate duplicates Z: 42 30.826 2.019 0.751 0.469 0.951 0.488 CB 1.477 42 residues pruned to eliminate duplicates Z: 81 30.080 1.942 0.617 0.377 0.900 0.412 CB 1.356 81 residues pruned to eliminate duplicates Z: 32 24.356 1.955 0.745 0.529 0.903 0.548 CB 1.380 32 residues pruned to eliminate duplicates Z: 13 26.335 1.868 1.329 0.895 1.000 0.833 CA 1.253 13 residues pruned to eliminate duplicates Z: 32 28.775 1.978 0.842 0.535 0.935 0.613 CB 1.466 32 residues pruned to eliminate duplicates Z: 41 32.104 1.998 0.803 0.490 0.975 0.525 CB 1.460 41 residues pruned to eliminate duplicates Z: 41 29.994 2.022 0.814 0.452 0.950 0.500 CB 1.430 41 residues pruned to eliminate duplicates Z: 41 35.787 2.027 0.883 0.501 1.000 0.425 CB 1.481 41 residues pruned to eliminate duplicates Z: 13 30.650 1.873 1.396 0.909 1.000 0.333 CA 1.400 13 residues pruned to eliminate duplicates Z: 28 31.207 2.038 0.904 0.585 1.000 0.333 CB 1.427 28 residues pruned to eliminate duplicates Z: 43 32.080 1.967 0.921 0.461 0.905 0.381 CB 1.507 43 residues pruned to eliminate duplicates Z: 19 11.586 1.772 0.514 0.487 0.833 0.500 CB 1.238 19 residues pruned to eliminate duplicates Z: 43 31.502 1.992 0.791 0.455 1.000 0.476 CB 1.426 43 residues pruned to eliminate duplicates Z: 48 26.156 1.945 0.698 0.442 0.894 0.362 CB 1.372 48 residues pruned to eliminate duplicates Z: 7 2.003 1.290 0.196 0.509 1.000 1.000 CA 0.525 6 residues pruned to eliminate duplicates Z: 8 5.890 1.469 0.578 0.590 0.857 0.429 CA 1.028 8 residues pruned to eliminate duplicates Z: 19 11.128 1.838 0.399 0.393 0.944 0.611 CB 1.210 19 residues pruned to eliminate duplicates Z: 6 3.978 1.385 0.376 0.681 1.000 0.200 CB 0.791 6 residues pruned to eliminate duplicates Z: 19 10.574 1.819 0.439 0.400 0.833 0.444 CB 1.269 19 residues pruned to eliminate duplicates Z: 32 17.883 1.791 0.707 0.504 0.871 0.645 CB 1.201 32 residues pruned to eliminate duplicates Z: 31 18.262 1.799 0.735 0.486 0.867 0.567 CB 1.250 31 residues pruned to eliminate duplicates Z: 49 21.814 1.810 0.590 0.486 0.875 0.500 CB 1.268 49 residues pruned to eliminate duplicates Z: 30 18.180 1.819 0.468 0.575 0.966 0.724 CB 1.218 30 residues pruned to eliminate duplicates Z: 19 10.697 1.855 0.317 0.368 0.944 0.500 CA 1.258 19 residues pruned to eliminate duplicates Z: 45 20.752 1.815 0.504 0.513 0.909 0.636 CB 1.244 45 residues pruned to eliminate duplicates Z: 20 12.677 1.825 0.424 0.438 0.947 0.368 CB 1.259 20 residues pruned to eliminate duplicates Z: 21 15.811 1.829 0.948 0.535 0.900 0.400 CB 1.066 21 residues pruned to eliminate duplicates Z: 21 12.971 1.846 0.704 0.563 0.900 0.600 CB 0.964 21 residues pruned to eliminate duplicates Z: 21 9.160 1.779 0.289 0.424 0.850 0.550 CA 1.137 21 residues pruned to eliminate duplicates Z: 30 14.758 1.805 0.592 0.492 0.862 0.483 CB 1.116 30 residues pruned to eliminate duplicates Z: 42 20.205 1.854 0.743 0.436 0.878 0.415 CB 1.189 73 residues pruned to eliminate duplicates Z: 13 23.359 1.774 1.018 0.919 1.000 0.833 CB 1.328 13 residues pruned to eliminate duplicates Z: 29 17.355 1.837 0.684 0.508 0.857 0.429 CB 1.228 29 residues pruned to eliminate duplicates Z: 20 13.765 1.796 0.651 0.580 0.895 0.526 CB 1.102 20 residues pruned to eliminate duplicates Z: 30 15.825 1.852 0.511 0.503 0.931 0.483 CB 1.125 30 residues pruned to eliminate duplicates Z: 42 16.427 1.784 0.647 0.444 0.854 0.610 CB 1.084 42 residues pruned to eliminate duplicates Z: 26 19.720 1.885 0.780 0.577 0.920 0.640 CB 1.186 26 residues pruned to eliminate duplicates Z: 21 14.682 1.729 0.869 0.578 0.900 0.450 CB 1.047 21 residues pruned to eliminate duplicates Z: 20 14.883 1.764 0.807 0.581 0.895 0.474 CB 1.108 20 residues pruned to eliminate duplicates Z: 26 22.748 1.875 0.710 0.634 0.960 0.760 CB 1.303 26 residues pruned to eliminate duplicates Z: 19 10.623 1.767 0.425 0.374 0.833 0.444 CB 1.364 19 residues pruned to eliminate duplicates Z: 12 11.764 1.803 0.672 0.481 0.909 0.636 CA 1.319 12 residues pruned to eliminate duplicates Z: 46 20.827 1.833 0.448 0.528 0.867 0.667 CB 1.313 46 residues pruned to eliminate duplicates Z: 39 21.438 1.824 0.556 0.501 0.947 0.526 CB 1.293 39 residues pruned to eliminate duplicates Z: 51 22.180 1.851 0.687 0.443 0.900 0.460 CB 1.184 51 residues pruned to eliminate duplicates Z: 21 14.076 1.735 0.534 0.543 0.850 0.450 CB 1.334 21 residues pruned to eliminate duplicates Z: 22 13.332 1.707 0.624 0.494 0.810 0.333 CB 1.304 22 residues pruned to eliminate duplicates Z: 17 10.251 1.731 0.685 0.470 0.750 0.438 CB 1.207 17 residues pruned to eliminate duplicates Z: 20 11.536 1.703 0.452 0.378 0.895 0.474 CB 1.363 20 residues pruned to eliminate duplicates Z: 29 17.248 1.876 0.565 0.583 0.857 0.607 CB 1.196 29 residues pruned to eliminate duplicates Z: 17 10.383 1.811 0.390 0.376 0.812 0.438 CA 1.449 17 residues pruned to eliminate duplicates Z: 17 10.384 1.765 0.380 0.271 0.938 0.312 CB 1.474 17 residues pruned to eliminate duplicates Z: 15 9.366 1.715 0.370 0.559 0.786 0.429 CB 1.280 15 residues pruned to eliminate duplicates Z: 19 10.250 1.698 0.436 0.573 0.833 0.389 CB 1.108 19 residues pruned to eliminate duplicates Z: 32 17.905 1.821 0.503 0.587 0.871 0.516 CB 1.242 32 residues pruned to eliminate duplicates Z: 13 8.457 1.632 0.232 0.538 0.917 0.417 N 1.276 13 residues pruned to eliminate duplicates Z: 10 10.319 1.661 0.592 0.722 0.889 0.222 CB 1.197 10 residues pruned to eliminate duplicates Z: 43 23.125 1.825 0.446 0.676 0.952 0.548 CA 1.207 43 residues pruned to eliminate duplicates Z: 33 16.291 1.805 0.423 0.541 0.875 0.406 CB 1.231 33 residues pruned to eliminate duplicates Z: 33 18.027 1.798 0.379 0.595 0.938 0.562 CB 1.252 33 residues pruned to eliminate duplicates Z: 46 25.900 1.845 0.431 0.633 0.978 0.533 CB 1.321 46 residues pruned to eliminate duplicates Z: 45 22.861 1.852 0.345 0.644 0.932 0.523 CB 1.299 45 residues pruned to eliminate duplicates Z: 49 26.112 1.859 0.408 0.686 0.938 0.750 CB 1.295 49 residues pruned to eliminate duplicates Z: 51 25.747 1.865 0.487 0.597 0.940 0.600 CB 1.274 51 residues pruned to eliminate duplicates Z: 37 17.974 1.844 0.327 0.622 0.917 0.694 CB 1.190 37 residues pruned to eliminate duplicates Z: 19 8.835 1.748 0.336 0.585 0.778 0.333 CB 1.057 19 residues pruned to eliminate duplicates Z: 17 10.257 1.747 0.406 0.624 0.875 0.500 CB 1.061 17 residues pruned to eliminate duplicates Z: 34 17.723 1.791 0.479 0.585 0.909 0.485 CB 1.181 34 residues pruned to eliminate duplicates Z: 33 17.879 1.818 0.424 0.612 0.875 0.625 CB 1.254 33 residues pruned to eliminate duplicates Z: 13 14.518 1.961 0.317 0.766 1.000 0.917 CA 1.282 13 residues pruned to eliminate duplicates Z: 35 14.787 1.744 0.332 0.558 0.912 0.529 CB 1.131 35 residues pruned to eliminate duplicates Z: 16 17.043 1.875 0.479 0.729 1.000 0.667 CA 1.291 16 residues pruned to eliminate duplicates Z: 20 15.407 1.892 0.560 0.511 0.947 0.737 CB 1.250 20 residues pruned to eliminate duplicates Z: 23 11.879 1.674 0.470 0.421 0.864 0.636 CA 1.294 23 residues pruned to eliminate duplicates Z: 38 18.658 1.832 0.382 0.662 0.865 0.541 CB 1.206 38 residues pruned to eliminate duplicates Z: 59 24.200 1.873 0.299 0.606 0.966 0.707 CB 1.222 59 residues pruned to eliminate duplicates Z: 34 15.486 1.827 0.381 0.574 0.848 0.455 CB 1.172 34 residues pruned to eliminate duplicates Z: 44 23.094 1.860 0.386 0.671 0.930 0.581 CA 1.255 44 residues pruned to eliminate duplicates Z: 39 20.969 1.878 0.418 0.621 0.921 0.737 CA 1.238 39 residues pruned to eliminate duplicates Z: 38 21.339 1.857 0.488 0.615 0.892 0.514 CB 1.276 38 residues pruned to eliminate duplicates Z: 25 20.746 1.905 0.550 0.617 0.958 0.667 CB 1.340 25 residues pruned to eliminate duplicates Z: 26 21.740 1.943 0.588 0.749 0.920 0.560 CA 1.226 26 residues pruned to eliminate duplicates Z: 37 21.566 1.896 0.443 0.645 0.972 0.667 CB 1.180 37 residues pruned to eliminate duplicates Z: 38 23.474 1.899 0.538 0.678 0.946 0.541 CB 1.186 38 residues pruned to eliminate duplicates Z: 43 25.207 1.864 0.602 0.663 0.929 0.524 CB 1.206 43 residues pruned to eliminate duplicates Z: 22 25.361 1.993 0.769 0.827 0.905 0.667 CA 1.307 22 residues pruned to eliminate duplicates Z: 31 22.512 1.940 0.583 0.669 0.967 0.767 CB 1.185 31 residues pruned to eliminate duplicates Z: 33 19.838 1.904 0.596 0.640 0.875 0.625 CB 1.157 33 residues pruned to eliminate duplicates Z: 25 27.820 1.949 0.703 0.818 0.958 0.542 CB 1.354 25 residues pruned to eliminate duplicates Z: 32 24.490 1.915 0.566 0.654 0.968 0.677 CA 1.314 32 residues pruned to eliminate duplicates Z: 38 25.318 1.943 0.541 0.656 0.973 0.757 CB 1.235 38 residues pruned to eliminate duplicates Z: 50 24.210 1.858 0.498 0.618 0.918 0.592 CB 1.210 50 residues pruned to eliminate duplicates Z: 40 24.422 1.904 0.501 0.588 0.974 0.667 CB 1.290 40 residues pruned to eliminate duplicates Z: 41 19.350 1.848 0.389 0.567 0.900 0.575 CB 1.241 41 residues pruned to eliminate duplicates Z: 54 23.953 1.842 0.528 0.635 0.906 0.491 CB 1.137 54 residues pruned to eliminate duplicates Z: 61 23.508 1.804 0.386 0.553 0.933 0.583 CB 1.234 61 residues pruned to eliminate duplicates Z: 83 30.840 1.838 0.429 0.603 0.951 0.671 CB 1.236 83 residues pruned to eliminate duplicates Z: 42 24.943 1.866 0.633 0.626 0.951 0.634 CB 1.194 42 residues pruned to eliminate duplicates Z: 43 17.451 1.865 0.480 0.458 0.881 0.524 CB 1.156 43 residues pruned to eliminate duplicates Z: 11 6.363 1.819 0.554 0.541 1.000 0.500 CB 0.684 11 residues pruned to eliminate duplicates Z: 40 21.505 1.871 0.505 0.625 0.949 0.590 CA 1.146 40 residues pruned to eliminate duplicates Z: 58 22.711 1.824 0.444 0.544 0.912 0.596 CB 1.199 58 residues pruned to eliminate duplicates Z: 84 31.072 1.879 0.415 0.605 0.952 0.627 CB 1.220 84 residues pruned to eliminate duplicates Z: 56 26.504 1.873 0.452 0.567 0.964 0.655 CB 1.278 56 residues pruned to eliminate duplicates Z: 89 26.131 1.794 0.524 0.535 0.898 0.523 CB 1.096 89 residues pruned to eliminate duplicates Z: 34 14.536 1.794 0.424 0.471 0.879 0.667 CB 1.161 34 residues pruned to eliminate duplicates Z: 41 18.787 1.847 0.414 0.570 0.850 0.625 CB 1.251 41 residues pruned to eliminate duplicates Z: 56 24.995 1.845 0.413 0.565 0.964 0.673 CB 1.260 56 residues pruned to eliminate duplicates Z: 40 24.158 1.862 0.502 0.637 0.949 0.744 CB 1.282 40 residues pruned to eliminate duplicates Z: 30 19.931 1.885 0.647 0.593 0.897 0.759 CB 1.216 30 residues pruned to eliminate duplicates Z: 42 15.586 1.815 0.306 0.480 0.854 0.659 CB 1.227 42 residues pruned to eliminate duplicates Z: 34 19.638 1.872 0.557 0.573 0.909 0.636 CB 1.202 34 residues pruned to eliminate duplicates Z: 24 15.689 1.872 0.581 0.478 0.870 0.609 CB 1.300 24 residues pruned to eliminate duplicates Z: 15 6.279 1.757 0.305 0.451 0.857 0.786 CB 0.898 15 residues pruned to eliminate duplicates Z: 43 21.003 1.859 0.328 0.577 0.929 0.690 CB 1.313 42 residues pruned to eliminate duplicates Z: 6 2.588 1.482 0.295 0.236 0.800 0.400 CB 1.024 6 residues pruned to eliminate duplicates Z: 45 21.498 1.828 0.471 0.595 0.864 0.614 CB 1.274 45 residues pruned to eliminate duplicates Z: 26 14.655 1.872 0.546 0.474 0.920 0.640 CB 1.131 26 residues pruned to eliminate duplicates Z: 100 29.957 1.829 0.557 0.553 0.859 0.556 CB 1.169 100 residues pruned to eliminate duplicates Z: 37 20.194 1.814 0.444 0.537 0.972 0.583 CB 1.275 37 residues pruned to eliminate duplicates Z: 42 22.247 1.875 0.454 0.585 0.927 0.683 CB 1.268 42 residues pruned to eliminate duplicates Z: 43 23.187 1.852 0.517 0.579 0.929 0.714 CB 1.271 43 residues pruned to eliminate duplicates Z: 41 22.126 1.878 0.383 0.593 0.975 0.725 CB 1.264 41 residues pruned to eliminate duplicates Z: 6 4.044 1.538 0.689 0.478 0.800 0.400 CA 0.890 6 residues pruned to eliminate duplicates Z: 46 23.510 1.811 0.477 0.556 0.956 0.667 CB 1.299 46 residues pruned to eliminate duplicates Z: 39 22.629 1.852 0.491 0.526 0.947 0.632 CB 1.368 39 residues pruned to eliminate duplicates Z: 41 20.608 1.869 0.387 0.540 0.950 0.625 CB 1.272 41 residues pruned to eliminate duplicates Z: 40 18.058 1.798 0.411 0.514 0.897 0.564 CB 1.253 40 residues pruned to eliminate duplicates Z: 26 24.751 1.864 0.689 0.739 0.960 0.640 CB 1.322 26 residues pruned to eliminate duplicates Z: 42 22.777 1.870 0.569 0.585 0.902 0.634 CB 1.238 42 residues pruned to eliminate duplicates Z: 43 23.228 1.831 0.607 0.547 0.976 0.571 CB 1.191 43 residues pruned to eliminate duplicates Z: 14 22.128 1.689 1.102 0.851 1.000 0.538 CA 1.280 14 residues pruned to eliminate duplicates Z: 44 23.021 1.823 0.561 0.589 0.977 0.581 CB 1.160 44 residues pruned to eliminate duplicates Z: 45 21.733 1.805 0.547 0.589 0.909 0.659 CB 1.185 45 residues pruned to eliminate duplicates Z: 45 22.298 1.783 0.585 0.582 0.886 0.659 CB 1.241 45 residues pruned to eliminate duplicates Z: 82 36.385 1.901 0.576 0.615 0.963 0.605 CB 1.257 82 residues pruned to eliminate duplicates Z: 14 20.368 1.951 0.858 0.743 0.923 0.308 CB 1.359 14 residues pruned to eliminate duplicates Z: 42 22.569 1.861 0.554 0.600 0.927 0.512 CB 1.195 42 residues pruned to eliminate duplicates Z: 41 24.399 1.872 0.651 0.593 0.925 0.550 CB 1.235 41 residues pruned to eliminate duplicates Z: 6 2.660 1.383 0.696 0.591 1.000 0.800 CB 0.465 6 residues pruned to eliminate duplicates Z: 61 24.200 1.835 0.565 0.524 0.933 0.600 CB 1.139 61 residues pruned to eliminate duplicates Z: 39 25.392 1.886 0.626 0.530 0.947 0.500 CB 1.377 39 residues pruned to eliminate duplicates Z: 6 3.377 1.503 0.083 0.533 0.800 0.400 N 1.123 6 residues pruned to eliminate duplicates Z: 41 26.782 1.888 0.733 0.601 0.950 0.600 CB 1.237 41 residues pruned to eliminate duplicates Z: 63 29.937 1.847 0.643 0.586 0.935 0.565 CB 1.234 63 residues pruned to eliminate duplicates Z: 6 4.607 1.757 0.355 0.431 0.800 0.600 CA 1.162 6 residues pruned to eliminate duplicates Z: 8 5.913 1.767 0.301 0.297 1.000 0.429 CA 1.220 8 residues pruned to eliminate duplicates Z: 15 14.942 1.910 0.669 0.448 0.929 0.714 CA 1.423 15 residues pruned to eliminate duplicates Z: 9 8.553 1.809 0.622 0.472 0.750 0.625 CA 1.413 9 residues pruned to eliminate duplicates Z: 11 12.862 1.978 0.764 0.451 1.000 0.500 CB 1.225 11 residues pruned to eliminate duplicates Z: 13 8.004 1.827 0.213 0.426 0.833 0.417 CA 1.351 13 residues pruned to eliminate duplicates Z: 25 20.745 1.942 0.809 0.459 0.875 0.500 CB 1.437 25 residues pruned to eliminate duplicates Z: 29 18.124 1.929 0.659 0.540 0.893 0.536 CB 1.153 41 residues pruned to eliminate duplicates Z: 38 25.677 1.957 0.909 0.510 0.946 0.595 CB 1.183 38 residues pruned to eliminate duplicates Z: 11 11.570 1.879 0.672 0.501 1.000 0.600 CB 1.164 11 residues pruned to eliminate duplicates Z: 16 11.385 1.908 0.575 0.360 0.933 0.467 CA 1.220 16 residues pruned to eliminate duplicates Z: 73 26.416 1.917 0.540 0.517 0.833 0.542 CB 1.244 67 residues pruned to eliminate duplicates Z: 15 19.188 1.949 1.133 0.788 0.929 0.786 CB 1.031 15 residues pruned to eliminate duplicates Z: 42 27.306 1.985 0.691 0.583 0.878 0.561 CB 1.336 42 residues pruned to eliminate duplicates Z: 33 23.034 1.937 0.834 0.563 0.875 0.500 CB 1.233 33 residues pruned to eliminate duplicates Z: 51 20.981 1.862 0.502 0.478 0.840 0.520 CB 1.291 51 residues pruned to eliminate duplicates Z: 38 25.285 1.930 0.818 0.557 0.865 0.459 CB 1.296 38 residues pruned to eliminate duplicates Z: 44 21.058 1.874 0.589 0.440 0.884 0.512 CB 1.298 44 residues pruned to eliminate duplicates Z: 23 22.953 1.971 0.854 0.636 0.955 0.682 CB 1.234 23 residues pruned to eliminate duplicates Z: 30 17.781 1.872 0.630 0.554 0.897 0.552 CB 1.145 30 residues pruned to eliminate duplicates Z: 103 41.657 1.972 0.557 0.617 0.902 0.627 CB 1.333 103 residues pruned to eliminate duplicates Z: 34 20.729 1.894 0.644 0.508 0.970 0.545 CB 1.186 45 residues pruned to eliminate duplicates Z: 11 24.143 2.077 1.248 0.911 1.000 0.900 CB 1.159 11 residues pruned to eliminate duplicates Z: 27 26.813 1.989 1.080 0.581 0.962 0.577 CB 1.222 27 residues pruned to eliminate duplicates Z: 43 23.467 1.868 0.771 0.505 0.857 0.595 CB 1.272 43 residues pruned to eliminate duplicates Z: 98 32.957 1.952 0.623 0.434 0.866 0.557 CB 1.307 47 residues pruned to eliminate duplicates Z: 6 2.072 1.541 0.292 0.289 0.800 0.400 CA 0.738 6 residues pruned to eliminate duplicates Z: 66 29.676 1.963 0.447 0.582 0.892 0.554 CB 1.342 66 residues pruned to eliminate duplicates Z: 46 28.718 1.978 0.449 0.660 0.911 0.556 CA 1.414 46 residues pruned to eliminate duplicates Z: 22 20.003 1.998 0.534 0.624 0.857 0.667 CA 1.478 22 residues pruned to eliminate duplicates Z: 16 15.009 1.932 0.451 0.566 0.867 0.333 CB 1.496 16 residues pruned to eliminate duplicates Z: 22 17.141 1.952 0.422 0.482 0.952 0.429 CB 1.441 22 residues pruned to eliminate duplicates Z: 80 34.011 1.933 0.517 0.574 0.861 0.646 CA 1.411 80 residues pruned to eliminate duplicates Z: 15 18.907 1.936 0.562 0.653 0.929 0.643 CA 1.561 15 residues pruned to eliminate duplicates Z: 17 11.032 1.951 0.317 0.494 0.750 0.250 CB 1.440 17 residues pruned to eliminate duplicates Z: 61 33.870 2.014 0.481 0.603 0.933 0.683 CA 1.424 61 residues pruned to eliminate duplicates Z: 81 34.794 1.962 0.521 0.604 0.900 0.637 CA 1.312 81 residues pruned to eliminate duplicates Z: 52 34.411 1.993 0.581 0.608 0.941 0.667 CA 1.467 52 residues pruned to eliminate duplicates Z: 16 14.343 1.961 0.481 0.588 0.800 0.267 CB 1.465 16 residues pruned to eliminate duplicates Z: 46 23.983 1.906 0.460 0.560 0.911 0.578 CB 1.331 46 residues pruned to eliminate duplicates Z: 66 32.796 1.933 0.537 0.679 0.908 0.692 CB 1.279 66 residues pruned to eliminate duplicates Z: 38 23.115 1.965 0.401 0.621 0.973 0.676 CA 1.265 38 residues pruned to eliminate duplicates Z: 33 26.946 1.974 0.616 0.658 0.969 0.719 CA 1.331 33 residues pruned to eliminate duplicates Z: 20 19.157 1.980 0.635 0.723 0.895 0.842 CA 1.241 20 residues pruned to eliminate duplicates Z: 56 28.785 1.929 0.576 0.595 0.891 0.655 CA 1.309 56 residues pruned to eliminate duplicates Z: 57 28.175 1.956 0.510 0.619 0.929 0.643 CA 1.226 57 residues pruned to eliminate duplicates Z: 64 31.500 1.964 0.556 0.612 0.889 0.683 CA 1.313 64 residues pruned to eliminate duplicates Z: 59 34.857 1.926 0.685 0.607 0.931 0.672 CB 1.369 59 residues pruned to eliminate duplicates Z: 20 17.780 1.939 0.376 0.714 0.947 0.842 CB 1.329 20 residues pruned to eliminate duplicates Z: 41 20.917 1.885 0.577 0.568 0.875 0.675 CA 1.190 41 residues pruned to eliminate duplicates Z: 52 34.814 1.995 0.531 0.699 1.000 0.843 CA 1.331 52 residues pruned to eliminate duplicates Z: 45 27.455 1.969 0.615 0.558 0.909 0.682 CA 1.354 45 residues pruned to eliminate duplicates Z: 62 33.897 1.962 0.597 0.656 0.918 0.738 CA 1.305 62 residues pruned to eliminate duplicates Z: 19 16.161 1.891 0.643 0.697 0.889 0.833 CA 1.153 19 residues pruned to eliminate duplicates Z: 36 26.951 2.026 0.644 0.641 0.943 0.714 CA 1.271 36 residues pruned to eliminate duplicates Z: 46 31.127 1.942 0.598 0.685 0.978 0.667 CA 1.291 46 residues pruned to eliminate duplicates Z: 27 34.014 2.051 0.829 0.768 1.000 0.692 CA 1.402 27 residues pruned to eliminate duplicates Z: 26 29.761 2.031 0.729 0.794 0.960 0.760 CA 1.365 26 residues pruned to eliminate duplicates Z: 33 25.888 1.886 0.677 0.663 0.906 0.500 CA 1.373 33 residues pruned to eliminate duplicates Z: 69 35.215 1.957 0.614 0.592 0.941 0.735 CA 1.316 69 residues pruned to eliminate duplicates Z: 32 32.637 2.045 0.703 0.722 0.968 0.774 CA 1.423 32 residues pruned to eliminate duplicates Z: 59 34.536 2.015 0.665 0.612 0.914 0.655 CA 1.330 59 residues pruned to eliminate duplicates Z: 85 34.847 1.911 0.642 0.550 0.881 0.571 CB 1.310 85 residues pruned to eliminate duplicates Z: 38 28.894 2.028 0.639 0.626 0.946 0.622 CA 1.341 38 residues pruned to eliminate duplicates Z: 47 30.538 2.019 0.587 0.567 0.957 0.696 CB 1.377 47 residues pruned to eliminate duplicates Z: 34 37.890 2.024 0.903 0.677 0.970 0.697 CA 1.499 34 residues pruned to eliminate duplicates Z: 62 38.069 2.003 0.693 0.628 0.951 0.607 CA 1.340 62 residues pruned to eliminate duplicates Z: 35 30.897 2.059 0.644 0.658 1.000 0.735 CA 1.352 35 residues pruned to eliminate duplicates Z: 78 34.737 1.942 0.620 0.527 0.935 0.545 CB 1.311 78 residues pruned to eliminate duplicates Z: 79 41.945 1.973 0.656 0.611 0.987 0.705 CA 1.326 79 residues pruned to eliminate duplicates Z: 64 32.384 1.969 0.617 0.572 0.937 0.571 CA 1.277 64 residues pruned to eliminate duplicates Z: 79 38.229 1.971 0.635 0.598 0.949 0.692 CA 1.289 79 residues pruned to eliminate duplicates Z: 71 28.916 1.923 0.460 0.547 0.914 0.629 CA 1.286 71 residues pruned to eliminate duplicates Z: 69 33.915 1.951 0.589 0.572 0.941 0.676 CB 1.314 69 residues pruned to eliminate duplicates Z: 30 16.429 1.885 0.444 0.565 0.897 0.690 CA 1.174 30 residues pruned to eliminate duplicates Z: 31 22.132 1.891 0.640 0.591 0.967 0.667 CA 1.235 31 residues pruned to eliminate duplicates Z: 32 22.423 1.920 0.576 0.550 1.000 0.677 CA 1.268 32 residues pruned to eliminate duplicates Z: 11 8.631 1.940 0.279 0.380 1.000 0.500 CB 1.250 11 residues pruned to eliminate duplicates Z: 38 22.495 1.894 0.656 0.559 0.892 0.676 CB 1.248 38 residues pruned to eliminate duplicates Z: 32 21.055 1.921 0.604 0.557 0.968 0.581 CA 1.200 32 residues pruned to eliminate duplicates Z: 38 21.655 1.895 0.475 0.562 0.919 0.703 CB 1.305 38 residues pruned to eliminate duplicates Z: 37 26.646 1.928 0.742 0.569 0.944 0.667 CB 1.309 37 residues pruned to eliminate duplicates Z: 31 19.930 1.893 0.509 0.579 0.933 0.700 CB 1.264 31 residues pruned to eliminate duplicates Z: 29 21.707 1.940 0.702 0.563 0.893 0.679 CA 1.309 29 residues pruned to eliminate duplicates Z: 37 22.691 1.914 0.608 0.543 0.917 0.667 CB 1.284 37 residues pruned to eliminate duplicates Z: 37 25.706 1.946 0.733 0.571 0.944 0.694 CB 1.256 37 residues pruned to eliminate duplicates Z: 30 22.959 1.961 0.572 0.571 1.000 0.690 CB 1.291 30 residues pruned to eliminate duplicates Z: 37 23.445 1.923 0.619 0.591 0.944 0.667 CB 1.218 37 residues pruned to eliminate duplicates Z: 38 25.583 1.919 0.707 0.580 0.946 0.730 CB 1.256 38 residues pruned to eliminate duplicates Z: 37 26.231 1.935 0.765 0.578 0.944 0.694 CB 1.257 37 residues pruned to eliminate duplicates Z: 18 16.692 1.835 0.722 0.673 0.882 0.647 CA 1.239 18 residues pruned to eliminate duplicates Z: 64 34.260 1.931 0.682 0.587 0.937 0.698 CA 1.305 64 residues pruned to eliminate duplicates Z: 37 22.763 1.920 0.586 0.558 0.944 0.611 CB 1.247 37 residues pruned to eliminate duplicates Z: 37 27.015 1.952 0.769 0.594 0.972 0.722 CB 1.227 37 residues pruned to eliminate duplicates Z: 38 23.000 1.932 0.624 0.538 0.946 0.676 CB 1.227 38 residues pruned to eliminate duplicates Z: 38 26.015 1.911 0.763 0.569 0.946 0.649 CB 1.255 38 residues pruned to eliminate duplicates Z: 37 25.129 1.924 0.714 0.553 0.944 0.722 CB 1.277 37 residues pruned to eliminate duplicates Z: 38 16.416 1.861 0.570 0.400 0.838 0.459 CB 1.224 38 residues pruned to eliminate duplicates Z: 76 22.980 1.875 0.533 0.396 0.840 0.493 CB 1.226 42 residues pruned to eliminate duplicates Z: 15 8.209 1.697 0.488 0.548 0.714 0.429 CB 1.160 15 residues pruned to eliminate duplicates Z: 74 28.530 1.935 0.703 0.434 0.849 0.562 CB 1.277 74 residues pruned to eliminate duplicates Z: 47 21.488 1.909 0.648 0.420 0.826 0.543 CB 1.325 47 residues pruned to eliminate duplicates Z: 42 22.655 1.925 0.643 0.424 0.951 0.610 CB 1.272 42 residues pruned to eliminate duplicates Z: 47 22.086 1.889 0.648 0.423 0.891 0.543 CB 1.271 47 residues pruned to eliminate duplicates Z: 41 25.957 1.965 0.691 0.454 0.975 0.650 CB 1.328 41 residues pruned to eliminate duplicates Z: 38 20.517 1.881 0.652 0.428 0.892 0.649 CB 1.312 38 residues pruned to eliminate duplicates Z: 39 19.626 1.925 0.639 0.401 0.868 0.474 CB 1.289 39 residues pruned to eliminate duplicates Z: 42 21.961 1.941 0.573 0.430 0.902 0.439 CB 1.338 42 residues pruned to eliminate duplicates Z: 42 21.280 1.903 0.618 0.433 0.878 0.512 CB 1.318 42 residues pruned to eliminate duplicates Z: 41 20.738 1.884 0.629 0.426 0.900 0.550 CB 1.281 41 residues pruned to eliminate duplicates Z: 46 21.770 1.893 0.577 0.415 0.889 0.600 CB 1.337 46 residues pruned to eliminate duplicates Z: 42 20.236 1.902 0.553 0.441 0.878 0.610 CB 1.296 42 residues pruned to eliminate duplicates Z: 44 19.193 1.887 0.492 0.414 0.907 0.558 CB 1.254 44 residues pruned to eliminate duplicates Z: 42 19.817 1.912 0.500 0.421 0.902 0.610 CB 1.299 42 residues pruned to eliminate duplicates Z: 47 21.357 1.919 0.555 0.415 0.891 0.587 CB 1.295 47 residues pruned to eliminate duplicates Z: 46 21.679 1.896 0.561 0.422 0.889 0.622 CB 1.332 46 residues pruned to eliminate duplicates Z: 42 21.128 1.935 0.642 0.419 0.854 0.488 CB 1.324 42 residues pruned to eliminate duplicates Z: 42 21.337 1.917 0.509 0.445 0.951 0.561 CB 1.281 42 residues pruned to eliminate duplicates Z: 40 19.807 1.927 0.518 0.419 0.923 0.564 CB 1.278 40 residues pruned to eliminate duplicates Z: 42 22.583 1.902 0.595 0.424 0.951 0.561 CB 1.323 42 residues pruned to eliminate duplicates Z: 60 28.562 1.990 0.691 0.429 0.864 0.492 CB 1.377 60 residues pruned to eliminate duplicates Z: 46 24.261 1.946 0.601 0.435 0.911 0.600 CB 1.363 46 residues pruned to eliminate duplicates Z: 44 23.198 1.904 0.667 0.418 0.930 0.651 CB 1.306 44 residues pruned to eliminate duplicates Z: 41 21.348 1.954 0.528 0.442 0.900 0.600 CB 1.333 41 residues pruned to eliminate duplicates Z: 49 20.278 1.851 0.630 0.413 0.896 0.604 CB 1.186 49 residues pruned to eliminate duplicates Z: 47 22.688 1.901 0.686 0.418 0.870 0.652 CB 1.308 47 residues pruned to eliminate duplicates Z: 47 18.594 1.871 0.496 0.400 0.848 0.565 CB 1.284 47 residues pruned to eliminate duplicates Z: 42 19.752 1.905 0.552 0.425 0.854 0.585 CB 1.322 42 residues pruned to eliminate duplicates Z: 41 21.685 1.922 0.634 0.431 0.950 0.625 CB 1.234 41 residues pruned to eliminate duplicates Z: 20 14.914 1.964 0.616 0.487 0.895 0.474 CB 1.220 20 residues pruned to eliminate duplicates Z: 38 21.008 1.968 0.615 0.433 0.919 0.622 CB 1.268 38 residues pruned to eliminate duplicates Z: 42 21.475 1.929 0.612 0.445 0.878 0.683 CB 1.300 42 residues pruned to eliminate duplicates Z: 82 38.707 2.007 0.621 0.493 0.926 0.630 CB 1.438 82 residues pruned to eliminate duplicates Z: 47 22.393 1.901 0.710 0.418 0.891 0.565 CB 1.242 47 residues pruned to eliminate duplicates Z: 46 23.522 1.919 0.672 0.424 0.867 0.556 CB 1.365 46 residues pruned to eliminate duplicates Z: 48 19.698 1.900 0.481 0.418 0.872 0.596 CB 1.276 48 residues pruned to eliminate duplicates Z: 26 12.279 1.903 0.551 0.317 0.800 0.280 CB 1.273 26 residues pruned to eliminate duplicates Z: 84 41.146 2.041 0.619 0.477 0.952 0.602 CB 1.470 84 residues pruned to eliminate duplicates Z: 55 29.277 2.015 0.671 0.433 0.889 0.556 CB 1.426 55 residues pruned to eliminate duplicates Z: 48 23.845 1.958 0.574 0.428 0.915 0.574 CB 1.329 48 residues pruned to eliminate duplicates Z: 55 34.232 2.045 0.673 0.521 0.889 0.556 CB 1.502 55 residues pruned to eliminate duplicates Z: 84 44.257 2.048 0.764 0.500 0.928 0.602 CB 1.450 84 residues pruned to eliminate duplicates Z: 7 9.545 1.849 0.644 0.440 1.000 0.500 CB 1.363 7 residues pruned to eliminate duplicates Z: 89 42.849 2.036 0.744 0.477 0.909 0.568 CB 1.448 89 residues pruned to eliminate duplicates Z: 90 40.433 2.005 0.672 0.469 0.910 0.596 CB 1.449 90 residues pruned to eliminate duplicates Z: 43 33.584 2.125 0.744 0.553 0.905 0.595 CB 1.468 43 residues pruned to eliminate duplicates Z: 27 22.167 2.048 0.623 0.435 0.923 0.462 CB 1.515 27 residues pruned to eliminate duplicates Z: 84 44.684 2.042 0.768 0.487 0.964 0.578 CB 1.428 85 residues pruned to eliminate duplicates Z: 6 5.902 1.596 0.648 0.496 1.000 0.400 CA 1.007 Z: 51 34.627 2.022 0.746 0.504 0.900 0.560 CB 1.534 57 residues pruned to eliminate duplicates Z: 15 20.450 2.083 0.803 0.506 0.929 0.500 CA 1.558 15 residues pruned to eliminate duplicates Z: 44 37.115 2.110 0.811 0.530 0.953 0.512 CB 1.507 43 residues pruned to eliminate duplicates Z: 6 4.827 1.712 0.988 0.203 0.800 0.200 CA 1.128 6 residues pruned to eliminate duplicates Z: 84 42.273 2.050 0.721 0.489 0.916 0.542 CB 1.452 84 residues pruned to eliminate duplicates Z: 42 39.272 2.164 0.839 0.526 0.951 0.537 CB 1.579 42 residues pruned to eliminate duplicates Z: 84 42.913 2.056 0.720 0.490 0.928 0.602 CB 1.451 84 residues pruned to eliminate duplicates Z: 88 36.038 2.001 0.650 0.439 0.874 0.552 CB 1.427 88 residues pruned to eliminate duplicates Z: 33 36.000 2.159 0.806 0.600 0.938 0.688 CB 1.582 33 residues pruned to eliminate duplicates Z: 44 37.242 2.129 0.788 0.516 0.953 0.581 CB 1.540 44 residues pruned to eliminate duplicates Z: 16 20.888 2.063 0.870 0.632 0.867 0.600 CB 1.425 16 residues pruned to eliminate duplicates Z: 89 44.395 2.040 0.726 0.495 0.932 0.614 CB 1.450 90 residues pruned to eliminate duplicates Z: 14 25.239 1.998 1.013 0.850 1.000 0.846 CA 1.289 14 residues pruned to eliminate duplicates Z: 90 41.793 2.021 0.709 0.458 0.933 0.517 CB 1.436 90 residues pruned to eliminate duplicates Z: 43 36.906 2.126 0.896 0.538 0.905 0.548 CB 1.504 42 residues pruned to eliminate duplicates Z: 13 29.773 2.110 0.955 0.848 1.000 0.750 CA 1.546 13 residues pruned to eliminate duplicates Z: 34 38.214 2.096 0.951 0.554 0.970 0.636 CB 1.591 34 residues pruned to eliminate duplicates Z: 41 39.349 2.115 0.884 0.566 0.950 0.550 CB 1.543 41 residues pruned to eliminate duplicates Z: 42 41.226 2.138 0.927 0.548 0.976 0.610 CB 1.529 42 residues pruned to eliminate duplicates Z: 41 43.243 2.125 0.938 0.574 0.975 0.625 CB 1.586 41 residues pruned to eliminate duplicates Z: 13 27.338 2.049 1.108 0.816 0.917 0.167 CA 1.515 13 residues pruned to eliminate duplicates Z: 34 35.811 2.117 0.903 0.580 0.939 0.576 CB 1.525 34 residues pruned to eliminate duplicates Z: 26 34.301 2.135 1.034 0.623 0.920 0.640 CB 1.529 26 residues pruned to eliminate duplicates Z: 52 40.980 2.101 0.846 0.543 0.941 0.549 CB 1.507 52 residues pruned to eliminate duplicates Z: 82 41.601 2.054 0.793 0.480 0.901 0.580 CB 1.421 82 residues pruned to eliminate duplicates Z: 15 16.726 1.944 0.727 0.529 0.857 0.714 CA 1.510 15 residues pruned to eliminate duplicates Z: 44 41.136 2.116 0.859 0.562 1.000 0.512 CB 1.502 44 residues pruned to eliminate duplicates Z: 14 17.772 1.979 0.668 0.519 0.923 0.615 CA 1.587 14 residues pruned to eliminate duplicates Z: 80 41.511 2.044 0.762 0.452 0.949 0.506 CB 1.435 80 residues pruned to eliminate duplicates Z: 34 33.536 2.141 0.805 0.545 0.939 0.576 CB 1.538 34 residues pruned to eliminate duplicates Z: 15 13.479 1.915 0.695 0.523 0.714 0.429 CB 1.520 15 residues pruned to eliminate duplicates Z: 17 15.717 1.856 0.650 0.453 0.875 0.562 CB 1.539 17 residues pruned to eliminate duplicates Z: 43 39.580 2.098 0.825 0.575 1.000 0.429 CB 1.485 43 residues pruned to eliminate duplicates Z: 44 26.874 1.932 0.448 0.653 0.930 0.721 CB 1.366 44 residues pruned to eliminate duplicates Z: 14 8.594 1.718 0.109 0.733 0.923 0.769 CB 1.099 14 residues pruned to eliminate duplicates Z: 44 30.096 1.941 0.578 0.646 0.953 0.698 CB 1.372 44 residues pruned to eliminate duplicates Z: 13 11.601 1.753 0.487 0.682 0.917 0.500 CA 1.185 13 residues pruned to eliminate duplicates Z: 14 11.459 1.736 0.376 0.705 0.923 0.692 CB 1.196 14 residues pruned to eliminate duplicates Z: 15 10.708 1.746 0.352 0.606 0.857 0.500 CB 1.279 15 residues pruned to eliminate duplicates Z: 15 9.779 1.741 0.282 0.597 0.857 0.571 CB 1.246 15 residues pruned to eliminate duplicates Z: 13 10.153 1.720 0.263 0.726 0.833 0.750 CB 1.320 13 residues pruned to eliminate duplicates Z: 16 9.443 1.786 0.075 0.616 0.933 0.600 CB 1.218 16 residues pruned to eliminate duplicates Z: 39 26.755 1.917 0.561 0.652 0.921 0.500 CB 1.367 39 residues pruned to eliminate duplicates Z: 43 24.594 1.920 0.507 0.652 0.857 0.619 CB 1.328 43 residues pruned to eliminate duplicates Z: 40 25.071 1.950 0.305 0.685 0.949 0.667 CA 1.404 40 residues pruned to eliminate duplicates Z: 43 25.998 1.939 0.453 0.665 0.881 0.690 CB 1.387 43 residues pruned to eliminate duplicates Z: 42 26.607 1.910 0.487 0.653 0.927 0.683 CB 1.370 42 residues pruned to eliminate duplicates Z: 40 25.532 1.933 0.440 0.673 0.974 0.744 CB 1.285 40 residues pruned to eliminate duplicates Z: 31 23.138 1.976 0.340 0.678 0.967 0.733 CB 1.402 31 residues pruned to eliminate duplicates Z: 25 23.471 2.021 0.398 0.806 0.958 0.833 CA 1.355 25 residues pruned to eliminate duplicates Z: 31 24.987 1.963 0.507 0.682 0.933 0.767 CA 1.399 31 residues pruned to eliminate duplicates Z: 25 28.419 2.055 0.578 0.804 0.958 0.750 CA 1.431 25 residues pruned to eliminate duplicates Z: 44 24.328 1.896 0.413 0.665 0.907 0.628 CB 1.311 44 residues pruned to eliminate duplicates Z: 26 30.901 2.064 0.640 0.801 0.960 0.880 CA 1.462 26 residues pruned to eliminate duplicates Z: 26 34.987 2.072 0.881 0.778 0.960 0.640 CA 1.464 26 residues pruned to eliminate duplicates Z: 25 32.457 2.065 0.767 0.816 0.958 0.792 CA 1.440 25 residues pruned to eliminate duplicates Z: 26 32.779 2.065 0.754 0.803 0.960 0.720 CA 1.447 26 residues pruned to eliminate duplicates Z: 27 34.407 2.042 0.808 0.765 0.962 0.731 CA 1.502 27 residues pruned to eliminate duplicates Z: 42 29.161 1.925 0.692 0.683 0.927 0.610 CB 1.275 42 residues pruned to eliminate duplicates Z: 33 28.330 1.983 0.770 0.655 0.938 0.656 CB 1.318 33 residues pruned to eliminate duplicates Z: 27 33.684 2.037 0.804 0.782 0.962 0.577 CB 1.458 27 residues pruned to eliminate duplicates Z: 42 26.769 1.940 0.695 0.598 0.951 0.463 CB 1.217 42 residues pruned to eliminate duplicates Z: 43 29.931 1.941 0.669 0.685 0.952 0.667 CB 1.264 43 residues pruned to eliminate duplicates Z: 26 34.790 2.050 0.958 0.801 0.960 0.480 CB 1.388 26 residues pruned to eliminate duplicates Z: 25 34.194 2.014 1.088 0.817 0.917 0.542 CB 1.375 25 residues pruned to eliminate duplicates Z: 32 29.800 1.975 0.877 0.680 0.935 0.387 CB 1.309 32 residues pruned to eliminate duplicates Z: 26 36.507 2.051 1.034 0.807 0.960 0.640 CB 1.395 26 residues pruned to eliminate duplicates Z: 28 31.292 1.998 0.932 0.749 1.000 0.593 CB 1.249 28 residues pruned to eliminate duplicates Z: 23 28.799 2.054 1.000 0.733 0.955 0.409 CB 1.270 23 residues pruned to eliminate duplicates Z: 28 23.131 1.987 0.899 0.589 0.852 0.407 CB 1.272 28 residues pruned to eliminate duplicates Z: 37 29.926 1.969 0.831 0.699 0.917 0.417 CB 1.258 37 residues pruned to eliminate duplicates Z: 49 30.212 1.971 0.623 0.647 0.917 0.542 CB 1.296 49 residues pruned to eliminate duplicates Z: 35 30.343 2.039 0.833 0.654 0.912 0.412 CB 1.323 35 residues pruned to eliminate duplicates Z: 48 30.544 1.968 0.689 0.593 0.957 0.404 CB 1.282 48 residues pruned to eliminate duplicates Z: 37 30.846 1.987 0.820 0.639 0.972 0.472 CB 1.283 37 residues pruned to eliminate duplicates Z: 51 32.823 1.947 0.754 0.636 0.940 0.560 CB 1.273 51 residues pruned to eliminate duplicates Z: 40 27.892 1.965 0.729 0.647 0.923 0.410 CB 1.242 40 residues pruned to eliminate duplicates Z: 36 29.625 1.979 0.923 0.624 0.943 0.571 CB 1.242 36 residues pruned to eliminate duplicates Z: 50 25.070 1.905 0.669 0.543 0.898 0.367 CB 1.203 50 residues pruned to eliminate duplicates Z: 9 6.270 1.884 0.663 0.429 1.000 0.625 CB 0.761 9 residues pruned to eliminate duplicates Z: 13 5.619 1.747 0.471 0.401 0.833 0.583 CB 0.840 13 residues pruned to eliminate duplicates Z: 11 6.562 1.778 0.624 0.363 0.900 0.400 CB 0.925 11 residues pruned to eliminate duplicates Z: 87 39.186 1.964 0.733 0.570 0.895 0.512 CB 1.296 87 residues pruned to eliminate duplicates Z: 7 6.284 1.892 0.523 0.335 1.000 0.333 CA 1.066 7 residues pruned to eliminate duplicates Z: 44 27.821 1.967 0.633 0.532 0.930 0.605 CB 1.375 44 residues pruned to eliminate duplicates Z: 133 53.554 2.016 0.787 0.519 0.917 0.561 CB 1.385 133 residues pruned to eliminate duplicates Z: 50 28.509 2.004 0.648 0.519 0.918 0.612 CB 1.317 50 residues pruned to eliminate duplicates Z: 45 24.243 1.887 0.672 0.547 0.864 0.591 CB 1.282 45 residues pruned to eliminate duplicates Z: 49 23.551 1.966 0.519 0.478 0.896 0.562 CB 1.299 49 residues pruned to eliminate duplicates Z: 38 29.911 2.038 0.644 0.558 0.946 0.676 CB 1.466 38 residues pruned to eliminate duplicates Z: 45 28.964 2.018 0.669 0.536 0.932 0.614 CB 1.343 45 residues pruned to eliminate duplicates Z: 38 30.386 2.041 0.697 0.581 0.919 0.730 CB 1.452 38 residues pruned to eliminate duplicates Z: 40 26.604 1.992 0.492 0.581 0.949 0.718 CB 1.398 40 residues pruned to eliminate duplicates Z: 36 28.596 2.020 0.796 0.546 0.886 0.600 CB 1.438 36 residues pruned to eliminate duplicates Z: 41 25.532 1.999 0.612 0.558 0.900 0.700 CB 1.316 41 residues pruned to eliminate duplicates Z: 46 28.318 2.009 0.608 0.513 0.956 0.622 CB 1.350 46 residues pruned to eliminate duplicates Z: 37 24.632 1.959 0.605 0.498 0.917 0.611 CA 1.426 37 residues pruned to eliminate duplicates Z: 37 30.940 2.053 0.689 0.564 0.944 0.639 CB 1.479 37 residues pruned to eliminate duplicates Z: 40 27.663 2.016 0.703 0.555 0.923 0.590 CB 1.326 40 residues pruned to eliminate duplicates Z: 39 28.412 2.012 0.664 0.553 0.921 0.579 CA 1.419 39 residues pruned to eliminate duplicates Z: 48 25.771 1.979 0.653 0.490 0.894 0.553 CB 1.300 48 residues pruned to eliminate duplicates Z: 35 25.168 2.009 0.657 0.493 0.912 0.588 CB 1.432 35 residues pruned to eliminate duplicates Z: 37 29.083 2.011 0.680 0.574 0.944 0.556 CB 1.415 37 residues pruned to eliminate duplicates Z: 35 26.083 2.011 0.556 0.537 0.941 0.647 CB 1.464 35 residues pruned to eliminate duplicates Z: 34 26.744 2.034 0.662 0.536 0.939 0.667 CB 1.415 34 residues pruned to eliminate duplicates Z: 39 28.019 2.006 0.707 0.537 0.921 0.605 CB 1.390 39 residues pruned to eliminate duplicates Z: 39 26.593 2.013 0.582 0.502 0.947 0.579 CB 1.427 39 residues pruned to eliminate duplicates Z: 44 27.319 1.987 0.640 0.536 0.907 0.535 CB 1.360 44 residues pruned to eliminate duplicates Z: 43 29.776 2.030 0.677 0.575 0.929 0.667 CB 1.352 43 residues pruned to eliminate duplicates Z: 38 32.034 2.046 0.757 0.583 0.946 0.622 CB 1.430 38 residues pruned to eliminate duplicates Z: 38 31.409 2.019 0.743 0.563 0.973 0.703 CA 1.419 38 residues pruned to eliminate duplicates Z: 40 30.070 2.010 0.745 0.508 0.923 0.667 CB 1.475 40 residues pruned to eliminate duplicates Z: 46 27.985 2.004 0.626 0.490 0.956 0.644 CB 1.353 46 residues pruned to eliminate duplicates Z: 81 46.307 2.064 0.850 0.512 0.900 0.600 CB 1.488 81 residues pruned to eliminate duplicates Z: 47 26.490 1.969 0.698 0.482 0.935 0.565 CB 1.272 47 residues pruned to eliminate duplicates Z: 90 38.654 1.963 0.723 0.554 0.910 0.506 CB 1.264 90 residues pruned to eliminate duplicates Z: 90 38.383 1.961 0.650 0.529 0.933 0.573 CB 1.310 90 residues pruned to eliminate duplicates Z: 98 44.432 2.025 0.735 0.499 0.928 0.619 CB 1.385 98 residues pruned to eliminate duplicates Z: 75 44.555 2.048 0.803 0.520 0.959 0.622 CB 1.433 75 residues pruned to eliminate duplicates Z: 39 30.459 2.025 0.719 0.563 0.947 0.605 CB 1.410 39 residues pruned to eliminate duplicates Z: 9 11.133 2.045 0.868 0.516 0.875 0.750 CB 1.159 9 residues pruned to eliminate duplicates Z: 78 35.272 2.001 0.843 0.405 0.831 0.545 CB 1.450 78 residues pruned to eliminate duplicates Z: 11 8.501 1.892 0.581 0.406 0.900 0.600 CB 1.101 11 residues pruned to eliminate duplicates Z: 82 45.988 2.066 0.806 0.490 0.951 0.630 CB 1.456 82 residues pruned to eliminate duplicates Z: 81 50.594 2.081 0.827 0.529 0.950 0.600 CB 1.522 81 residues pruned to eliminate duplicates Z: 45 33.075 2.074 0.922 0.479 0.864 0.568 CB 1.479 45 residues pruned to eliminate duplicates Z: 41 37.989 2.089 0.932 0.508 0.950 0.575 CB 1.555 41 residues pruned to eliminate duplicates Z: 17 16.679 1.974 0.874 0.328 0.938 0.438 CB 1.452 17 residues pruned to eliminate duplicates Z: 18 11.524 1.852 0.641 0.392 0.824 0.412 CB 1.253 18 residues pruned to eliminate duplicates Z: 43 33.775 2.084 0.799 0.467 0.929 0.619 CB 1.548 43 residues pruned to eliminate duplicates Z: 45 32.345 2.029 0.741 0.494 0.932 0.591 CB 1.490 45 residues pruned to eliminate duplicates Z: 41 37.196 2.084 0.823 0.512 0.975 0.425 CB 1.570 41 residues pruned to eliminate duplicates Z: 32 26.311 2.080 0.796 0.478 0.903 0.581 CB 1.432 32 residues pruned to eliminate duplicates Z: 43 30.715 2.060 0.659 0.495 0.881 0.571 CB 1.581 43 residues pruned to eliminate duplicates Z: 13 9.318 1.629 0.783 0.470 0.833 0.417 N 1.145 13 residues pruned to eliminate duplicates Z: 42 36.325 2.027 0.807 0.531 0.951 0.585 CA 1.579 42 residues pruned to eliminate duplicates Z: 42 41.072 2.105 0.987 0.495 0.951 0.561 CB 1.621 42 residues pruned to eliminate duplicates Z: 35 33.146 2.078 0.844 0.525 0.941 0.618 CB 1.538 35 residues pruned to eliminate duplicates Z: 40 37.781 2.115 0.809 0.498 0.974 0.513 CB 1.625 40 residues pruned to eliminate duplicates Z: 41 32.404 2.058 0.686 0.501 0.975 0.550 CB 1.514 41 residues pruned to eliminate duplicates Z: 46 32.193 2.026 0.776 0.445 0.933 0.444 CB 1.512 46 residues pruned to eliminate duplicates Z: 42 31.834 2.115 0.728 0.480 0.878 0.585 CB 1.581 42 residues pruned to eliminate duplicates Z: 43 35.494 2.063 0.791 0.483 0.952 0.500 CB 1.583 43 residues pruned to eliminate duplicates Z: 44 37.463 2.058 0.874 0.491 0.953 0.581 CB 1.568 44 residues pruned to eliminate duplicates Z: 54 36.810 1.975 0.752 0.521 0.925 0.660 CB 1.547 121 residues pruned to eliminate duplicates Z: 12 28.222 2.129 1.004 0.861 1.000 0.909 CA 1.466 12 residues pruned to eliminate duplicates Z: 38 33.589 2.025 0.880 0.538 0.892 0.568 CA 1.567 38 residues pruned to eliminate duplicates Z: 44 33.227 2.045 0.826 0.473 0.907 0.465 CB 1.537 44 residues pruned to eliminate duplicates Z: 33 30.606 2.123 0.665 0.514 0.906 0.594 CB 1.664 33 residues pruned to eliminate duplicates Z: 45 34.697 2.053 0.911 0.455 0.932 0.523 CB 1.499 45 residues pruned to eliminate duplicates Z: 44 35.969 2.059 0.820 0.488 0.953 0.465 CB 1.553 44 residues pruned to eliminate duplicates Z: 42 37.852 2.088 0.908 0.492 0.951 0.488 CB 1.573 42 residues pruned to eliminate duplicates Z: 31 22.634 1.962 0.828 0.456 0.833 0.400 CB 1.446 31 residues pruned to eliminate duplicates Z: 41 36.332 2.047 0.938 0.512 0.950 0.450 CB 1.506 41 residues pruned to eliminate duplicates Z: 41 26.145 2.037 0.842 0.362 0.875 0.425 CB 1.461 41 residues pruned to eliminate duplicates Z: 91 44.751 2.007 0.864 0.500 0.922 0.511 CB 1.367 91 residues pruned to eliminate duplicates Z: 42 33.205 2.101 0.915 0.484 0.878 0.537 CB 1.491 42 residues pruned to eliminate duplicates Z: 56 37.181 2.006 0.973 0.462 0.945 0.491 CB 1.393 56 residues pruned to eliminate duplicates Z: 81 51.669 2.078 0.890 0.523 0.950 0.637 CB 1.513 81 residues pruned to eliminate duplicates Z: 42 31.234 2.055 0.834 0.465 0.878 0.512 CB 1.528 42 residues pruned to eliminate duplicates Z: 89 44.319 2.038 0.793 0.494 0.920 0.580 CB 1.414 89 residues pruned to eliminate duplicates Z: 45 37.204 2.077 1.087 0.458 0.909 0.455 CB 1.486 45 residues pruned to eliminate duplicates Z: 43 35.586 2.111 0.861 0.476 0.905 0.571 CB 1.582 43 residues pruned to eliminate duplicates Z: 45 37.452 2.044 0.955 0.488 0.932 0.455 CB 1.534 45 residues pruned to eliminate duplicates Z: 44 35.626 2.058 0.977 0.464 0.907 0.488 CB 1.527 44 residues pruned to eliminate duplicates Z: 42 41.743 2.094 0.953 0.488 1.000 0.512 CB 1.612 42 residues pruned to eliminate duplicates 1125 residues left after pruning, divided into chains as follows: A: 6 B: 37 C: 40 D: 39 E: 11 F: 7 G: 9 H: 160 I: 42 J: 122 K: 188 L: 171 M: 27 N: 266 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 35.57 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.506, Connect. = 0.742 for dens.mod. cycle 1 = 0.300, Contrast = 0.594, Connect. = 0.768 for dens.mod. cycle 2 = 0.300, Contrast = 0.718, Connect. = 0.791 for dens.mod. cycle 3 = 0.300, Contrast = 0.740, Connect. = 0.794 for dens.mod. cycle 4 = 0.300, Contrast = 0.758, Connect. = 0.796 for dens.mod. cycle 5 = 0.300, Contrast = 0.766, Connect. = 0.797 for dens.mod. cycle 6 = 0.300, Contrast = 0.773, Connect. = 0.799 for dens.mod. cycle 7 = 0.300, Contrast = 0.777, Connect. = 0.800 for dens.mod. cycle 8 = 0.300, Contrast = 0.779, Connect. = 0.801 for dens.mod. cycle 9 = 0.300, Contrast = 0.781, Connect. = 0.801 for dens.mod. cycle 10 TimeTaking 385.28