++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 00:59:42 on 15 Sep 2019 + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Please cite: I. Uson & G.M. Sheldrick (2018), "An introduction to experimental phasing of macromolecules illustrated by SHELX; new autotracing features" Acta Cryst. D74, 106-116 (Open Access) if SHELXE proves useful. Command line parameters: ./2ash-2.1-parrot-noncs/2ash-2.1-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./2ash-2.1-parrot-noncs/2ash-2.1-parrot-noncs.ins Phases from ./2ash-2.1-parrot-noncs/2ash-2.1-parrot-noncs.phi Native data from ./2ash-2.1-parrot-noncs/2ash-2.1-parrot-noncs.hkl Listing output to ./2ash-2.1-parrot-noncs/2ash-2.1-parrot-noncs.lst Phases output to ./2ash-2.1-parrot-noncs/2ash-2.1-parrot-noncs.phs Poly-Ala trace output to ./2ash-2.1-parrot-noncs/2ash-2.1-parrot-noncs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: C 1 2 1 Allowed origin shift code: 3 100148 Reflections read from file ./2ash-2.1-parrot-noncs/2ash-2.1-parrot-noncs.phi 100148 Reflections read from file ./2ash-2.1-parrot-noncs/2ash-2.1-parrot-noncs.hkl 100148 Unique data, highest resolution = 2.100 Angstroms Anisotropic scaling: intensities multiplied by 0.000048h^2 -0.000083k^2 +0.000019l^2 +0.000000kl +0.000049hl +0.000000hk 66 Reflections with d > 2.300 and 0 in range 2.300 > d > 2.100 added Density sharpening factor set to 0.60 Fourier grid = 256 x 256 x 90 0.000 <= z <= 0.500 92 Point spherical net set up with radius 2.42A 32 Extra Fourier layers will be generated <|E^2-1|> = 0.766 = 0.261, Contrast = 0.309, Connect. = 0.711 for dens.mod. cycle 1 = 0.266, Contrast = 0.347, Connect. = 0.685 for dens.mod. cycle 2 = 0.275, Contrast = 0.429, Connect. = 0.723 for dens.mod. cycle 3 = 0.283, Contrast = 0.469, Connect. = 0.736 for dens.mod. cycle 4 = 0.287, Contrast = 0.495, Connect. = 0.743 for dens.mod. cycle 5 = 0.292, Contrast = 0.515, Connect. = 0.749 for dens.mod. cycle 6 = 0.294, Contrast = 0.526, Connect. = 0.751 for dens.mod. cycle 7 = 0.296, Contrast = 0.540, Connect. = 0.755 for dens.mod. cycle 8 = 0.299, Contrast = 0.556, Connect. = 0.759 for dens.mod. cycle 9 = 0.300, Contrast = 0.568, Connect. = 0.762 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 8844 peaks > 0.5 sigma used to seed fragment search Space for about 1933 unique residues taking solvent into account 1886 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 17 20.514 1.968 0.830 0.842 0.875 0.750 CB 1.212 B: 13 15.496 1.804 0.375 0.845 0.917 0.667 CB 1.463 C: 10 13.816 1.775 0.565 0.830 0.889 0.778 CB 1.403 10 residues pruned to eliminate duplicates D: 13 22.857 1.909 1.006 0.873 1.000 0.917 CB 1.255 E: 12 12.656 1.750 0.357 0.902 0.909 0.455 CB 1.262 10 residues pruned to eliminate duplicates F: 10 15.792 1.851 0.822 0.868 0.889 0.556 CA 1.284 G: 13 13.918 1.819 1.145 0.863 0.750 0.500 CB 1.007 H: 29 35.462 1.941 0.699 0.923 1.000 0.929 CB 1.428 17 residues pruned to eliminate duplicates I: 9 16.356 1.912 0.780 0.787 0.875 0.875 CB 1.509 10 residues pruned to eliminate duplicates J: 7 6.432 1.348 0.646 0.854 1.000 0.500 O 0.874 K: 13 25.580 1.979 1.025 0.906 1.000 0.833 CA 1.310 13 residues pruned to eliminate duplicates L: 7 15.279 1.983 1.157 0.852 1.000 0.667 CB 1.079 7 residues pruned to eliminate duplicates M: 8 9.339 1.875 0.242 0.808 1.000 0.571 CB 1.159 N: 6 10.344 1.982 0.687 0.791 0.800 0.600 CB 1.340 6 residues pruned to eliminate duplicates O: 12 24.295 1.821 1.192 0.879 1.000 0.545 CB 1.330 P: 9 19.292 1.776 0.837 0.845 1.000 0.625 N 1.554 Q: 9 12.292 1.747 0.336 0.863 1.000 0.750 CB 1.367 R: 15 23.831 1.779 0.873 0.900 1.000 0.786 CB 1.366 S: 7 17.807 1.923 0.717 0.882 1.000 0.833 CA 1.593 8 residues pruned to eliminate duplicates T: 12 11.029 1.875 0.240 0.913 1.000 0.909 CB 1.012 U: 14 11.380 1.692 0.293 0.850 0.846 0.538 CB 1.262 V: 8 14.975 1.833 1.436 0.843 0.857 0.857 CB 1.101 8 residues pruned to eliminate duplicates W: 8 9.530 1.609 0.559 0.832 1.000 0.714 CB 1.077 X: 16 11.132 1.619 0.468 0.767 0.867 0.600 CB 1.101 Y: 18 14.810 1.604 0.408 0.757 0.941 0.588 CB 1.344 15 residues pruned to eliminate duplicates Z: 8 9.839 1.800 0.835 0.728 0.714 0.429 N 1.284 8 residues pruned to eliminate duplicates Z: 15 18.332 1.813 0.888 0.742 0.857 0.643 CB 1.344 16 residues pruned to eliminate duplicates Z: 10 13.432 1.781 0.680 0.898 0.778 0.778 CA 1.376 Z: 10 22.682 1.959 0.863 0.856 1.000 0.889 CA 1.527 Z: 12 12.028 1.731 0.228 0.914 0.909 0.818 O 1.327 Z: 9 13.344 1.620 0.596 0.858 1.000 0.875 O 1.343 9 residues pruned to eliminate duplicates Z: 13 25.673 1.931 0.861 0.890 1.000 0.583 CB 1.484 13 residues pruned to eliminate duplicates Z: 14 16.014 1.819 0.835 0.908 1.000 0.846 CB 0.945 12 residues pruned to eliminate duplicates Z: 10 11.658 1.857 0.519 0.886 1.000 0.889 CB 0.993 10 residues pruned to eliminate duplicates Z: 15 18.577 1.828 0.438 0.885 0.929 0.786 CB 1.468 15 residues pruned to eliminate duplicates Z: 10 14.088 1.821 0.410 0.879 1.000 1.000 O 1.326 Z: 12 20.957 2.085 0.717 0.883 0.909 0.909 CB 1.404 12 residues pruned to eliminate duplicates Z: 12 9.661 1.812 0.309 0.762 0.727 0.545 CB 1.339 12 residues pruned to eliminate duplicates Z: 7 7.623 1.651 0.317 0.675 1.000 0.667 CB 1.217 Z: 13 24.707 1.922 0.687 0.922 1.000 0.917 CB 1.547 14 residues pruned to eliminate duplicates Z: 14 28.708 1.886 1.100 0.916 1.000 0.692 CB 1.420 15 residues pruned to eliminate duplicates Z: 8 18.342 1.977 0.976 0.899 1.000 1.000 CB 1.268 8 residues pruned to eliminate duplicates Z: 11 13.248 1.761 0.653 0.709 0.900 0.500 CB 1.322 11 residues pruned to eliminate duplicates Z: 19 23.143 1.833 1.038 0.877 0.889 0.833 CB 1.193 12 residues pruned to eliminate duplicates Z: 15 16.020 1.749 0.644 0.861 0.929 0.714 CB 1.179 14 residues pruned to eliminate duplicates Z: 10 7.033 1.730 0.656 0.478 0.778 0.556 CB 1.076 Z: 10 17.111 1.876 0.514 0.854 1.000 0.889 CB 1.484 9 residues pruned to eliminate duplicates Z: 30 20.660 1.922 0.819 0.464 0.862 0.586 CB 1.321 19 residues pruned to eliminate duplicates Z: 13 7.985 1.826 0.265 0.343 0.750 0.417 CB 1.580 7 residues pruned to eliminate duplicates Z: 23 34.917 1.899 1.031 0.899 1.000 0.682 CB 1.379 19 residues pruned to eliminate duplicates Z: 14 20.992 1.857 0.624 0.889 0.923 0.615 CB 1.506 13 residues pruned to eliminate duplicates Z: 8 9.971 1.720 0.384 0.864 1.000 0.857 CB 1.161 8 residues pruned to eliminate duplicates Z: 12 24.970 2.099 0.906 0.917 1.000 0.909 CB 1.328 13 residues pruned to eliminate duplicates Z: 12 14.881 1.788 0.601 0.837 0.909 0.364 CA 1.289 Z: 11 12.238 1.659 0.677 0.799 0.900 0.800 CB 1.190 Z: 6 7.281 1.909 0.398 0.406 1.000 0.600 N 1.348 Z: 12 16.636 1.741 0.370 0.899 1.000 0.818 CB 1.503 11 residues pruned to eliminate duplicates Z: 12 15.797 1.885 0.624 0.853 0.727 0.455 CB 1.581 12 residues pruned to eliminate duplicates Z: 11 17.534 1.915 0.412 0.853 1.000 0.700 CB 1.516 10 residues pruned to eliminate duplicates Z: 12 12.485 1.685 0.815 0.807 1.000 0.727 CB 0.942 12 residues pruned to eliminate duplicates Z: 7 4.656 1.550 0.840 0.295 0.667 0.333 CB 1.258 Z: 21 30.064 1.771 1.298 0.892 0.950 0.450 CB 1.249 18 residues pruned to eliminate duplicates Z: 13 19.665 1.873 0.566 0.934 0.917 0.833 CB 1.473 14 residues pruned to eliminate duplicates Z: 9 10.512 1.623 0.601 0.859 1.000 0.750 CA 1.052 Z: 18 24.623 1.812 0.824 0.907 1.000 0.588 CB 1.284 18 residues pruned to eliminate duplicates Z: 17 14.079 1.615 0.401 0.819 0.938 0.625 CA 1.257 12 residues pruned to eliminate duplicates Z: 24 12.885 1.733 0.587 0.457 0.870 0.522 CB 1.174 Z: 10 13.057 1.928 0.264 0.790 1.000 0.667 CB 1.384 10 residues pruned to eliminate duplicates Z: 16 24.410 1.808 0.893 0.874 1.000 0.667 CB 1.340 16 residues pruned to eliminate duplicates Z: 15 26.082 1.862 0.746 0.911 1.000 1.000 CB 1.520 15 residues pruned to eliminate duplicates Z: 11 12.927 1.733 0.547 0.590 1.000 0.800 CA 1.399 Z: 14 6.382 1.667 0.161 0.355 0.769 0.538 CB 1.390 Z: 10 11.715 1.891 0.684 0.907 1.000 1.000 CB 0.872 Z: 7 14.347 1.817 0.698 0.832 1.000 0.667 CB 1.424 Z: 8 7.808 1.569 0.295 0.807 0.857 0.714 CA 1.297 7 residues pruned to eliminate duplicates Z: 8 10.828 1.731 0.382 0.876 1.000 1.000 CB 1.243 Z: 10 10.657 1.460 0.609 0.878 1.000 1.000 CB 1.097 10 residues pruned to eliminate duplicates Z: 7 9.068 1.797 0.546 0.739 0.833 0.500 CB 1.290 7 residues pruned to eliminate duplicates Z: 8 11.685 1.640 0.429 0.874 1.000 0.857 O 1.372 8 residues pruned to eliminate duplicates Z: 12 19.302 1.878 0.501 0.849 1.000 0.818 CB 1.530 11 residues pruned to eliminate duplicates Z: 8 10.963 2.005 -0.013 0.842 1.000 0.714 CA 1.561 8 residues pruned to eliminate duplicates Z: 10 10.752 1.836 0.330 0.623 0.889 0.667 CB 1.470 Z: 14 17.675 1.639 0.775 0.807 1.000 0.692 CB 1.290 7 residues pruned to eliminate duplicates 6 1.976 1.440 0.657 0.300 0.600 0.400 CB 0.772 ? Z: 21 11.083 1.644 0.350 0.452 0.850 0.400 CB 1.380 20 residues pruned to eliminate duplicates Z: 11 9.700 1.613 0.331 0.633 0.900 0.800 O 1.401 11 residues pruned to eliminate duplicates Z: 15 22.575 1.904 0.542 0.923 1.000 0.929 CB 1.444 15 residues pruned to eliminate duplicates Z: 15 11.863 1.752 0.845 0.798 0.786 0.643 CB 0.961 13 residues pruned to eliminate duplicates Z: 8 5.370 1.526 0.285 0.612 0.857 0.571 CB 1.086 8 residues pruned to eliminate duplicates Z: 14 13.603 1.659 0.315 0.930 1.000 1.000 CB 1.209 Z: 14 18.408 1.810 0.651 0.876 1.000 0.846 CB 1.241 14 residues pruned to eliminate duplicates Z: 10 15.378 2.044 0.496 0.857 0.778 0.333 CB 1.588 10 residues pruned to eliminate duplicates Z: 14 4.122 1.624 0.562 0.177 0.769 0.308 CB 0.865 14 residues pruned to eliminate duplicates Z: 8 8.630 1.635 0.726 0.623 0.714 0.429 N 1.440 Z: 13 22.131 1.795 0.964 0.920 1.000 0.500 CB 1.276 13 residues pruned to eliminate duplicates Z: 9 7.812 1.682 0.262 0.798 0.875 0.750 O 1.146 8 residues pruned to eliminate duplicates Z: 17 14.627 1.631 0.594 0.758 0.875 0.562 CB 1.278 9 residues pruned to eliminate duplicates Z: 10 15.845 1.651 0.855 0.810 0.889 0.667 O 1.482 10 residues pruned to eliminate duplicates Z: 11 18.871 1.723 0.812 0.887 1.000 0.700 CB 1.378 10 residues pruned to eliminate duplicates Z: 7 11.464 1.894 0.932 0.815 0.833 0.500 CA 1.167 7 residues pruned to eliminate duplicates Z: 12 16.364 1.844 0.438 0.787 1.000 0.636 CB 1.447 12 residues pruned to eliminate duplicates Z: 8 16.281 1.836 0.769 0.863 1.000 0.714 CB 1.391 8 residues pruned to eliminate duplicates Z: 29 17.895 1.931 0.680 0.521 0.821 0.607 CB 1.243 27 residues pruned to eliminate duplicates Z: 8 15.207 1.751 0.919 0.727 1.000 0.571 CA 1.394 8 residues pruned to eliminate duplicates Z: 15 23.932 1.788 0.920 0.873 1.000 0.429 CB 1.357 15 residues pruned to eliminate duplicates Z: 10 16.976 1.898 0.684 0.872 0.889 0.556 CA 1.452 10 residues pruned to eliminate duplicates Z: 9 6.712 1.680 0.303 0.683 1.000 0.500 CB 0.917 9 residues pruned to eliminate duplicates Z: 12 14.104 1.889 0.737 0.889 0.909 0.909 CB 1.026 12 residues pruned to eliminate duplicates Z: 7 3.088 1.439 1.157 0.655 0.833 0.500 CB 0.422 Z: 8 7.685 1.526 0.297 0.734 1.000 0.857 CB 1.190 7 residues pruned to eliminate duplicates Z: 21 14.845 1.833 0.450 0.547 0.950 0.500 CB 1.256 15 residues pruned to eliminate duplicates Z: 14 22.669 1.887 0.793 0.924 1.000 0.923 CB 1.305 13 residues pruned to eliminate duplicates Z: 10 13.629 1.620 0.627 0.859 1.000 1.000 CA 1.268 10 residues pruned to eliminate duplicates Z: 6 9.181 2.037 0.881 0.814 1.000 1.000 CB 0.815 6 residues pruned to eliminate duplicates Z: 7 10.713 1.974 0.416 0.801 1.000 0.833 CB 1.203 7 residues pruned to eliminate duplicates Z: 11 22.334 1.869 1.315 0.927 1.000 1.000 CA 1.144 11 residues pruned to eliminate duplicates Z: 31 23.640 1.950 0.788 0.503 0.900 0.700 CB 1.372 34 residues pruned to eliminate duplicates Z: 14 12.238 1.697 0.584 0.784 0.846 0.615 CB 1.162 Z: 6 2.447 1.719 0.489 0.392 0.600 0.400 CB 0.799 Z: 19 26.637 1.847 1.115 0.888 1.000 0.667 CB 1.158 19 residues pruned to eliminate duplicates Z: 21 30.537 1.889 1.178 0.905 0.950 0.800 CB 1.243 21 residues pruned to eliminate duplicates Z: 7 12.385 1.674 0.724 0.815 1.000 0.833 C 1.333 Z: 7 10.885 1.559 0.810 0.754 1.000 0.833 CB 1.255 7 residues pruned to eliminate duplicates Z: 23 29.184 1.904 0.953 0.903 0.955 0.591 CB 1.250 23 residues pruned to eliminate duplicates Z: 13 19.105 1.902 0.363 0.907 1.000 0.667 CB 1.512 12 residues pruned to eliminate duplicates Z: 8 12.391 1.954 0.248 0.824 1.000 0.857 CA 1.450 8 residues pruned to eliminate duplicates Z: 10 12.677 1.752 0.505 0.884 0.889 0.889 CB 1.303 10 residues pruned to eliminate duplicates Z: 8 8.192 1.572 0.782 0.803 0.714 0.429 CB 1.188 Z: 7 6.241 1.580 0.409 0.819 0.667 0.500 N 1.302 Z: 8 13.659 1.712 0.758 0.909 1.000 1.000 CA 1.218 7 residues pruned to eliminate duplicates Z: 13 18.245 1.861 0.412 0.884 0.917 0.667 CA 1.579 13 residues pruned to eliminate duplicates Z: 15 19.953 1.736 0.701 0.846 1.000 0.357 CB 1.342 15 residues pruned to eliminate duplicates Z: 13 11.318 1.611 0.670 0.689 0.833 0.667 CB 1.226 13 residues pruned to eliminate duplicates Z: 6 5.592 1.743 0.607 0.627 0.600 0.600 CB 1.320 Z: 15 18.456 1.706 0.798 0.862 0.929 0.643 CA 1.271 Z: 14 17.608 1.651 0.873 0.898 1.000 0.692 CB 1.130 Z: 13 12.439 1.725 0.640 0.857 0.750 0.500 CB 1.248 13 residues pruned to eliminate duplicates Z: 13 23.472 2.000 0.817 0.898 1.000 0.833 CB 1.333 13 residues pruned to eliminate duplicates Z: 6 5.639 1.318 0.911 0.824 1.000 0.600 CB 0.757 Z: 11 22.432 1.919 0.674 0.867 1.000 0.800 O 1.615 12 residues pruned to eliminate duplicates Z: 10 4.875 1.399 0.976 0.370 0.667 0.444 CB 1.014 Z: 16 17.056 1.693 0.616 0.793 0.933 0.533 CB 1.333 17 residues pruned to eliminate duplicates Z: 10 14.223 1.635 0.768 0.771 1.000 0.667 CB 1.291 Z: 9 11.674 1.722 0.373 0.861 1.000 0.875 CA 1.283 9 residues pruned to eliminate duplicates Z: 10 5.360 1.536 0.437 0.806 0.667 0.444 CB 0.929 6 residues pruned to eliminate duplicates Z: 8 12.947 1.749 0.714 0.840 0.857 0.571 CB 1.422 9 residues pruned to eliminate duplicates Z: 15 9.772 1.496 0.391 0.709 0.857 0.571 CB 1.211 Z: 10 7.060 1.743 0.597 0.841 0.889 0.889 CB 0.709 10 residues pruned to eliminate duplicates Z: 13 17.995 1.869 0.563 0.935 1.000 0.417 CB 1.239 13 residues pruned to eliminate duplicates Z: 9 21.231 1.812 0.957 0.883 1.000 0.750 CA 1.531 8 residues pruned to eliminate duplicates Z: 12 25.249 1.945 0.746 0.904 1.000 0.909 CB 1.597 14 residues pruned to eliminate duplicates Z: 6 5.441 1.715 0.701 0.575 0.800 0.600 CB 0.970 6 residues pruned to eliminate duplicates Z: 10 20.695 1.758 1.231 0.822 0.889 0.444 CA 1.496 11 residues pruned to eliminate duplicates Z: 7 4.984 1.579 0.226 0.606 1.000 0.833 CA 0.950 Z: 13 11.041 1.695 0.443 0.818 0.833 0.667 CB 1.187 Z: 8 16.035 1.744 0.792 0.896 1.000 0.857 CA 1.389 8 residues pruned to eliminate duplicates Z: 12 12.512 1.648 0.439 0.875 1.000 0.909 CB 1.157 12 residues pruned to eliminate duplicates Z: 6 16.047 2.038 0.896 0.865 1.000 1.000 CB 1.361 6 residues pruned to eliminate duplicates Z: 26 37.916 1.961 0.982 0.924 1.000 0.560 CB 1.370 25 residues pruned to eliminate duplicates Z: 11 10.916 1.712 0.647 0.454 1.000 0.600 CB 1.284 Z: 25 30.473 1.838 0.853 0.903 0.958 0.667 CB 1.358 25 residues pruned to eliminate duplicates Z: 11 14.392 1.802 0.486 0.809 1.000 0.900 CB 1.298 11 residues pruned to eliminate duplicates Z: 12 16.892 1.908 0.714 0.900 1.000 0.818 CA 1.113 12 residues pruned to eliminate duplicates Z: 8 4.371 1.448 0.441 0.513 0.714 0.571 CB 1.094 Z: 7 9.803 1.905 0.406 0.639 1.000 0.833 CB 1.311 7 residues pruned to eliminate duplicates Z: 12 18.286 1.834 0.920 0.893 1.000 0.727 CB 1.124 10 residues pruned to eliminate duplicates Z: 6 6.963 1.640 0.366 0.650 1.000 0.600 N 1.208 Z: 10 18.616 1.923 0.508 0.875 1.000 0.778 O 1.557 10 residues pruned to eliminate duplicates Z: 10 13.931 1.604 0.806 0.885 0.889 0.556 CA 1.303 10 residues pruned to eliminate duplicates Z: 13 20.757 1.906 0.726 0.863 1.000 0.667 CB 1.336 13 residues pruned to eliminate duplicates Z: 10 3.998 1.445 0.283 0.474 0.778 0.333 CB 0.949 Z: 7 15.394 1.847 0.602 0.891 1.000 1.000 CA 1.528 7 residues pruned to eliminate duplicates Z: 7 8.075 1.765 0.159 0.796 1.000 0.833 N 1.243 7 residues pruned to eliminate duplicates Z: 8 12.941 1.605 0.767 0.873 1.000 0.857 CA 1.256 13 residues pruned to eliminate duplicates Z: 29 10.106 1.766 0.615 0.250 0.786 0.464 CB 1.136 Z: 9 8.525 1.546 0.154 0.889 1.000 1.000 CA 1.217 9 residues pruned to eliminate duplicates Z: 8 5.669 1.595 0.380 0.783 1.000 0.714 CB 0.758 8 residues pruned to eliminate duplicates Z: 14 15.987 1.729 0.598 0.819 0.923 0.846 CB 1.317 13 residues pruned to eliminate duplicates Z: 6 5.352 1.672 0.424 0.629 1.000 1.000 CB 0.890 Z: 16 13.941 1.653 0.431 0.816 0.933 0.800 CB 1.239 17 residues pruned to eliminate duplicates Z: 9 17.247 1.771 1.088 0.892 0.875 0.875 CA 1.354 9 residues pruned to eliminate duplicates Z: 12 11.330 1.686 0.430 0.758 0.909 0.455 CB 1.239 12 residues pruned to eliminate duplicates Z: 6 4.082 1.568 0.613 0.321 0.800 0.400 O 1.099 7 residues pruned to eliminate duplicates Z: 12 13.606 1.787 0.666 0.868 1.000 0.727 CB 1.007 12 residues pruned to eliminate duplicates Z: 10 24.948 1.776 1.141 0.928 1.000 0.778 CA 1.532 10 residues pruned to eliminate duplicates Z: 11 10.102 1.744 0.437 0.567 0.900 0.500 CB 1.328 Z: 15 17.390 1.670 0.409 0.910 1.000 0.857 O 1.401 15 residues pruned to eliminate duplicates Z: 12 14.991 1.686 0.705 0.928 0.909 0.818 CB 1.212 12 residues pruned to eliminate duplicates Z: 8 4.069 1.612 0.319 0.435 0.857 0.429 CA 0.903 Z: 7 4.465 1.704 0.439 0.225 0.667 0.500 CB 1.538 Z: 12 11.859 1.658 0.419 0.823 1.000 0.636 CB 1.148 12 residues pruned to eliminate duplicates Z: 12 8.905 1.521 0.591 0.863 0.909 0.545 CB 0.896 13 residues pruned to eliminate duplicates Z: 11 14.064 1.754 0.389 0.913 1.000 0.900 CB 1.292 7 residues pruned to eliminate duplicates Z: 9 7.070 1.635 0.399 0.541 0.875 0.625 CB 1.200 Z: 6 8.615 1.817 0.656 0.569 1.000 0.800 CA 1.198 Z: 14 13.642 1.652 0.460 0.893 0.923 0.615 CB 1.220 14 residues pruned to eliminate duplicates Z: 7 3.289 1.770 0.465 0.249 0.667 0.333 CB 1.038 7 residues pruned to eliminate duplicates Z: 14 18.481 1.677 0.866 0.869 0.923 0.769 CB 1.296 13 residues pruned to eliminate duplicates Z: 8 11.172 1.801 0.891 0.742 0.857 0.857 CB 1.165 8 residues pruned to eliminate duplicates Z: 11 7.790 1.460 0.654 0.671 0.800 0.600 CB 1.089 Z: 11 13.030 1.762 0.527 0.749 0.900 0.800 CB 1.362 11 residues pruned to eliminate duplicates Z: 12 18.246 1.797 1.177 0.911 1.000 0.455 CB 0.997 12 residues pruned to eliminate duplicates Z: 11 13.151 1.755 0.564 0.766 0.800 0.500 CB 1.495 10 residues pruned to eliminate duplicates Z: 7 6.615 1.755 0.441 0.698 1.000 0.833 CB 0.891 7 residues pruned to eliminate duplicates Z: 9 15.066 1.811 0.392 0.863 1.000 1.000 O 1.551 9 residues pruned to eliminate duplicates Z: 14 12.639 1.742 0.589 0.537 0.923 0.769 CB 1.322 14 residues pruned to eliminate duplicates Z: 8 15.106 1.820 0.866 0.872 0.857 0.857 CB 1.430 9 residues pruned to eliminate duplicates Z: 6 6.912 1.629 0.151 0.809 1.000 0.600 CB 1.260 Z: 12 16.099 1.570 0.885 0.904 1.000 0.909 CB 1.168 Z: 9 9.223 1.611 0.126 0.862 1.000 0.750 O 1.320 9 residues pruned to eliminate duplicates Z: 13 9.299 1.613 0.559 0.801 0.833 0.583 CB 0.985 13 residues pruned to eliminate duplicates Z: 24 31.577 1.869 1.101 0.935 0.957 0.696 CB 1.222 24 residues pruned to eliminate duplicates Z: 15 16.831 1.773 0.536 0.857 1.000 0.786 CB 1.217 15 residues pruned to eliminate duplicates Z: 10 6.376 1.581 0.660 0.823 0.889 0.667 CB 0.689 Z: 18 29.607 1.899 0.902 0.899 0.941 0.824 CB 1.510 18 residues pruned to eliminate duplicates Z: 8 11.914 1.767 0.474 0.746 1.000 0.571 CB 1.387 8 residues pruned to eliminate duplicates Z: 21 14.433 1.629 0.792 0.827 0.950 0.700 CB 0.877 15 residues pruned to eliminate duplicates Z: 11 6.563 1.903 0.674 0.392 0.700 0.600 CB 1.043 5 residues pruned to eliminate duplicates Z: 12 10.292 1.643 0.782 0.753 0.818 0.545 CB 1.034 12 residues pruned to eliminate duplicates Z: 15 19.946 1.704 0.678 0.874 1.000 0.786 CB 1.357 16 residues pruned to eliminate duplicates Z: 12 6.331 1.891 0.438 0.306 0.727 0.455 CB 1.198 12 residues pruned to eliminate duplicates Z: 7 8.092 1.954 0.326 0.762 1.000 0.667 CB 1.011 7 residues pruned to eliminate duplicates Z: 7 6.699 1.609 0.619 0.767 0.667 0.500 N 1.243 8 residues pruned to eliminate duplicates Z: 11 8.546 1.435 0.816 0.626 0.900 0.600 CB 1.023 10 residues pruned to eliminate duplicates Z: 22 17.364 1.961 0.904 0.494 0.905 0.619 CB 1.128 22 residues pruned to eliminate duplicates 8 1.868 1.550 0.625 0.270 0.571 0.429 CB 0.637 ? Z: 12 15.480 1.752 0.521 0.860 1.000 0.545 CB 1.288 13 residues pruned to eliminate duplicates Z: 6 4.639 1.548 0.024 0.661 1.000 0.600 CB 1.127 6 residues pruned to eliminate duplicates Z: 13 5.471 1.812 0.500 0.336 0.583 0.417 CB 1.191 6 residues pruned to eliminate duplicates Z: 9 4.534 1.538 0.358 0.345 0.750 0.750 O 1.210 Z: 9 10.395 1.669 0.876 0.693 0.875 0.625 CB 1.124 11 residues pruned to eliminate duplicates Z: 9 16.354 1.784 0.600 0.816 1.000 0.875 CB 1.539 9 residues pruned to eliminate duplicates Z: 7 7.219 1.788 0.451 0.878 0.833 0.833 CB 0.989 7 residues pruned to eliminate duplicates Z: 7 8.684 1.610 0.541 0.751 0.833 0.667 CA 1.370 7 residues pruned to eliminate duplicates Z: 9 5.990 1.533 0.313 0.443 0.875 0.625 CB 1.276 8 residues pruned to eliminate duplicates Z: 9 6.765 1.644 0.347 0.819 0.750 0.625 CB 1.092 8 0.571 1.337 0.666 0.221 0.714 0.571 CB 0.188 ? Z: 7 11.485 1.670 0.847 0.836 1.000 0.833 N 1.138 6 residues pruned to eliminate duplicates Z: 8 8.258 1.603 0.940 0.841 0.857 0.571 CB 0.874 Z: 15 15.368 1.518 0.892 0.826 0.929 0.500 CB 1.162 15 residues pruned to eliminate duplicates Z: 10 9.652 1.901 0.681 0.390 0.778 0.333 CB 1.453 17 residues pruned to eliminate duplicates Z: 10 17.983 2.163 0.856 0.858 0.889 0.667 CB 1.237 10 residues pruned to eliminate duplicates Z: 11 14.262 1.691 0.751 0.844 1.000 0.500 CB 1.133 11 residues pruned to eliminate duplicates Z: 25 30.398 1.948 0.962 0.874 0.917 0.583 CB 1.289 25 residues pruned to eliminate duplicates Z: 11 14.662 1.747 0.626 0.807 0.900 0.300 CB 1.388 11 residues pruned to eliminate duplicates Z: 12 14.889 1.836 1.087 0.881 0.909 0.818 CB 0.933 12 residues pruned to eliminate duplicates Z: 8 2.252 1.461 0.501 0.214 0.714 0.429 CB 0.761 Z: 7 5.015 1.668 0.355 0.444 0.833 0.500 CB 1.151 Z: 9 13.819 1.666 0.769 0.779 1.000 0.750 CB 1.296 9 residues pruned to eliminate duplicates Z: 15 22.221 1.765 0.857 0.880 0.929 0.643 CB 1.414 15 residues pruned to eliminate duplicates Z: 8 12.906 1.901 0.854 0.867 0.714 0.286 N 1.417 8 residues pruned to eliminate duplicates Z: 23 25.310 1.920 0.903 0.648 0.909 0.545 CB 1.415 18 residues pruned to eliminate duplicates Z: 8 5.310 1.626 0.802 0.435 0.714 0.571 N 1.025 Z: 23 16.038 1.724 0.660 0.453 0.909 0.636 CB 1.380 16 residues pruned to eliminate duplicates Z: 6 9.620 1.683 1.031 0.787 1.000 0.600 CB 0.977 6 residues pruned to eliminate duplicates Z: 6 3.239 1.616 0.116 0.604 0.800 0.600 N 0.910 Z: 17 12.649 1.588 0.847 0.749 1.000 0.688 CB 0.864 17 residues pruned to eliminate duplicates Z: 20 25.158 1.729 0.801 0.865 1.000 0.684 CA 1.358 20 residues pruned to eliminate duplicates Z: 15 25.463 1.793 0.896 0.902 1.000 0.500 CB 1.428 15 residues pruned to eliminate duplicates Z: 8 9.169 1.613 0.642 0.871 0.857 0.286 N 1.113 8 residues pruned to eliminate duplicates Z: 11 10.173 1.784 0.800 0.851 1.000 0.700 CB 0.742 11 residues pruned to eliminate duplicates Z: 9 9.596 1.658 0.570 0.482 1.000 0.750 CB 1.328 Z: 8 8.387 1.683 0.314 0.731 0.857 0.714 N 1.358 8 residues pruned to eliminate duplicates Z: 9 6.213 1.853 1.099 0.204 0.750 0.375 CB 1.070 8 residues pruned to eliminate duplicates Z: 8 9.769 1.631 0.401 0.818 1.000 1.000 O 1.226 Z: 14 18.072 1.652 0.757 0.908 1.000 0.769 CB 1.226 11 residues pruned to eliminate duplicates Z: 6 4.894 1.499 0.547 0.667 0.800 0.600 CA 1.011 Z: 28 33.967 1.884 0.992 0.871 0.926 0.630 CB 1.373 27 residues pruned to eliminate duplicates Z: 11 19.434 1.896 0.456 0.849 1.000 0.900 CB 1.650 11 residues pruned to eliminate duplicates Z: 13 14.597 1.694 0.536 0.798 0.917 0.667 CB 1.360 13 residues pruned to eliminate duplicates Z: 8 10.722 1.661 0.627 0.881 1.000 0.714 CB 1.086 8 residues pruned to eliminate duplicates Z: 10 8.335 1.723 0.294 0.698 0.889 0.556 CB 1.170 10 residues pruned to eliminate duplicates Z: 9 7.855 1.830 0.302 0.632 0.875 0.500 CB 1.178 9 residues pruned to eliminate duplicates Z: 11 10.890 1.541 0.627 0.787 0.800 0.800 N 1.334 11 residues pruned to eliminate duplicates Z: 16 12.080 1.538 0.478 0.850 1.000 0.667 CB 1.016 12 residues pruned to eliminate duplicates Z: 16 14.920 1.753 0.353 0.840 0.867 0.533 CB 1.399 16 residues pruned to eliminate duplicates Z: 8 10.128 1.727 0.965 0.726 0.857 0.714 CB 1.074 8 residues pruned to eliminate duplicates Z: 25 20.333 1.730 0.623 0.886 0.958 0.708 CB 1.113 24 residues pruned to eliminate duplicates Z: 11 8.458 1.791 0.407 0.396 0.800 0.500 CB 1.481 19 residues pruned to eliminate duplicates Z: 9 12.615 1.744 0.749 0.702 1.000 0.750 CA 1.217 Z: 25 7.784 1.475 0.608 0.428 0.792 0.333 CB 0.912 16 residues pruned to eliminate duplicates Z: 13 9.869 1.673 0.516 0.881 0.833 0.667 CB 0.976 13 residues pruned to eliminate duplicates Z: 9 3.151 1.511 0.271 0.516 0.625 0.625 CB 0.914 8 residues pruned to eliminate duplicates Z: 6 10.472 1.707 0.487 0.849 1.000 0.800 CA 1.368 7 residues pruned to eliminate duplicates Z: 19 7.944 1.808 0.280 0.392 0.722 0.444 CB 1.256 25 residues pruned to eliminate duplicates Z: 11 7.215 1.416 0.431 0.677 0.900 0.400 CB 1.063 Z: 6 8.830 1.691 0.491 0.789 1.000 0.600 CB 1.215 6 residues pruned to eliminate duplicates Z: 6 6.770 1.342 0.738 0.772 1.000 0.600 CA 1.021 Z: 6 2.549 1.433 0.200 0.478 0.800 0.600 CB 0.847 6 residues pruned to eliminate duplicates Z: 6 3.612 1.413 0.687 0.589 1.000 0.600 C 0.622 Z: 10 20.121 2.033 0.627 0.822 1.000 0.556 CB 1.534 10 residues pruned to eliminate duplicates Z: 9 16.231 1.810 0.835 0.885 0.875 0.875 CB 1.425 9 residues pruned to eliminate duplicates Z: 9 13.276 1.744 0.346 0.833 1.000 1.000 N 1.501 8 residues pruned to eliminate duplicates Z: 18 11.340 1.836 0.718 0.530 0.706 0.471 CB 1.199 18 residues pruned to eliminate duplicates Z: 10 13.830 1.710 0.644 0.872 1.000 0.889 CA 1.195 Z: 7 5.971 1.570 0.187 0.639 1.000 0.833 CB 1.148 9 residues pruned to eliminate duplicates Z: 11 7.359 1.770 0.407 0.536 0.700 0.500 CB 1.289 8 residues pruned to eliminate duplicates Z: 13 19.619 1.715 0.877 0.897 1.000 0.833 CB 1.259 14 residues pruned to eliminate duplicates Z: 14 22.338 1.862 0.744 0.909 1.000 0.923 CB 1.354 14 residues pruned to eliminate duplicates Z: 8 9.025 1.768 0.355 0.779 1.000 0.571 N 1.114 8 residues pruned to eliminate duplicates Z: 18 16.907 1.816 1.156 0.897 0.941 0.294 CB 0.797 21 residues pruned to eliminate duplicates Z: 13 18.598 1.864 0.614 0.914 0.917 0.667 CB 1.377 13 residues pruned to eliminate duplicates Z: 7 6.582 1.414 0.568 0.866 1.000 0.833 CB 0.887 Z: 8 2.285 1.355 0.652 0.404 0.714 0.571 N 0.597 Z: 10 9.801 1.471 0.716 0.888 0.778 0.667 CB 1.199 7 residues pruned to eliminate duplicates Z: 7 6.540 1.726 0.614 0.590 0.833 0.667 CB 1.055 Z: 26 23.246 1.864 0.832 0.672 0.920 0.640 CB 1.263 26 residues pruned to eliminate duplicates Z: 13 16.528 1.737 0.723 0.894 0.917 0.750 CB 1.248 15 residues pruned to eliminate duplicates Z: 7 8.564 1.698 0.625 0.846 1.000 0.667 CB 0.941 Z: 15 6.444 1.644 0.003 0.803 0.857 0.643 CB 0.935 14 residues pruned to eliminate duplicates Z: 14 12.888 1.536 0.750 0.884 1.000 0.769 CB 0.961 11 residues pruned to eliminate duplicates Z: 24 9.545 1.743 0.711 0.305 0.783 0.348 CB 1.059 22 residues pruned to eliminate duplicates Z: 16 14.579 1.716 0.335 0.866 0.867 0.733 CB 1.388 16 residues pruned to eliminate duplicates Z: 7 13.882 1.764 0.605 0.891 1.000 0.333 CB 1.438 7 residues pruned to eliminate duplicates Z: 8 6.127 1.630 0.459 0.876 0.857 0.857 CB 0.826 8 residues pruned to eliminate duplicates Z: 6 12.700 1.933 0.491 0.807 1.000 1.000 O 1.507 Z: 14 17.401 1.744 0.860 0.797 0.846 0.538 CB 1.355 13 residues pruned to eliminate duplicates Z: 11 7.121 1.615 0.390 0.456 0.900 0.300 CB 1.166 Z: 29 20.366 1.962 0.681 0.502 0.893 0.714 CB 1.304 29 residues pruned to eliminate duplicates Z: 9 9.235 1.673 0.791 0.801 0.750 0.375 CB 1.117 9 residues pruned to eliminate duplicates Z: 14 17.208 1.782 1.081 0.885 0.923 0.692 CB 1.007 14 residues pruned to eliminate duplicates Z: 6 7.693 1.588 0.473 0.680 1.000 0.600 N 1.246 6 residues pruned to eliminate duplicates Z: 7 5.669 1.657 0.264 0.468 0.833 0.500 CA 1.370 Z: 6 8.236 1.563 0.742 0.870 1.000 0.800 CB 0.988 Z: 15 18.106 1.679 0.810 0.885 0.857 0.643 CB 1.342 15 residues pruned to eliminate duplicates Z: 8 2.105 1.484 0.121 0.370 0.714 0.429 CB 0.770 8 residues pruned to eliminate duplicates Z: 30 15.492 1.786 0.740 0.504 0.828 0.621 CB 1.114 29 residues pruned to eliminate duplicates Z: 9 8.793 1.589 0.264 0.825 1.000 1.000 O 1.168 8 residues pruned to eliminate duplicates Z: 8 9.134 1.709 0.386 0.781 1.000 0.857 CB 1.137 8 residues pruned to eliminate duplicates Z: 18 9.170 1.653 0.519 0.445 0.824 0.412 CB 1.138 14 residues pruned to eliminate duplicates Z: 20 17.243 1.607 0.448 0.862 1.000 0.842 CB 1.249 14 residues pruned to eliminate duplicates Z: 6 8.494 1.527 0.462 0.825 1.000 0.800 C 1.285 6 residues pruned to eliminate duplicates Z: 13 8.640 1.694 0.663 0.382 0.917 0.417 CB 1.095 12 residues pruned to eliminate duplicates Z: 12 11.908 1.647 0.334 0.687 1.000 0.545 CB 1.377 12 residues pruned to eliminate duplicates Z: 6 8.746 1.661 0.707 0.737 1.000 0.600 CA 1.115 6 residues pruned to eliminate duplicates Z: 14 10.385 1.492 0.672 0.848 0.923 0.385 CB 0.928 8 residues pruned to eliminate duplicates Z: 23 17.341 1.545 0.592 0.879 1.000 0.727 CB 1.090 13 residues pruned to eliminate duplicates Z: 9 2.045 1.603 -0.041 0.275 0.500 0.250 CB 1.214 Z: 14 12.000 1.645 0.215 0.910 1.000 0.846 CB 1.181 14 residues pruned to eliminate duplicates Z: 10 15.382 1.665 0.694 0.893 1.000 0.778 CB 1.306 10 residues pruned to eliminate duplicates Z: 15 9.526 1.862 0.552 0.498 0.857 0.643 CB 1.030 7 residues pruned to eliminate duplicates Z: 13 7.077 1.761 0.452 0.300 0.833 0.667 CB 1.198 13 residues pruned to eliminate duplicates Z: 17 15.895 1.687 0.412 0.826 0.875 0.688 CA 1.438 17 residues pruned to eliminate duplicates Z: 13 12.359 1.624 0.508 0.886 1.000 0.667 CB 1.051 13 residues pruned to eliminate duplicates Z: 8 9.766 1.594 0.442 0.861 1.000 0.286 CA 1.180 8 residues pruned to eliminate duplicates Z: 9 4.202 1.639 0.563 0.825 0.625 0.625 CB 0.700 9 residues pruned to eliminate duplicates Z: 7 10.942 1.652 1.100 0.847 1.000 0.667 CB 0.957 7 residues pruned to eliminate duplicates Z: 9 5.626 1.715 0.284 0.334 1.000 0.500 CA 1.083 9 residues pruned to eliminate duplicates Z: 7 2.156 1.676 -0.233 0.479 0.833 0.500 CB 0.840 Z: 8 4.206 1.542 0.812 0.790 0.429 0.429 CB 1.029 8 residues pruned to eliminate duplicates Z: 13 11.537 1.666 0.420 0.906 0.917 0.917 CB 1.092 13 residues pruned to eliminate duplicates Z: 13 24.979 1.935 1.199 0.895 1.000 0.500 CB 1.215 13 residues pruned to eliminate duplicates Z: 17 12.121 1.745 0.681 0.425 0.812 0.438 CB 1.374 17 residues pruned to eliminate duplicates Z: 14 19.440 1.772 0.665 0.913 1.000 0.538 CB 1.293 14 residues pruned to eliminate duplicates Z: 13 14.227 1.449 0.800 0.763 1.000 0.833 CB 1.247 13 residues pruned to eliminate duplicates Z: 8 10.720 1.677 0.730 0.847 1.000 0.857 CB 1.037 15 residues pruned to eliminate duplicates Z: 13 12.148 1.811 0.415 0.506 1.000 0.750 CB 1.360 10 residues pruned to eliminate duplicates Z: 23 8.159 1.604 0.595 0.331 0.909 0.455 CB 0.900 23 residues pruned to eliminate duplicates Z: 12 11.577 1.661 0.505 0.795 0.818 0.545 N 1.318 12 residues pruned to eliminate duplicates Z: 26 18.351 1.706 0.765 0.643 0.800 0.640 CB 1.333 13 residues pruned to eliminate duplicates Z: 7 3.414 1.759 0.634 0.256 0.500 0.333 N 1.283 Z: 6 9.482 1.969 0.701 0.860 0.800 0.400 CB 1.164 6 residues pruned to eliminate duplicates Z: 9 3.774 1.331 0.463 0.678 0.750 0.625 CB 0.775 Z: 8 3.007 1.530 0.936 0.199 0.571 0.286 CB 0.960 Z: 6 10.900 1.949 0.251 0.887 1.000 1.000 CA 1.442 5 residues pruned to eliminate duplicates Z: 15 13.364 1.744 0.454 0.753 0.929 0.643 CB 1.211 15 residues pruned to eliminate duplicates Z: 18 11.443 1.904 0.522 0.516 0.824 0.588 CB 1.145 18 residues pruned to eliminate duplicates Z: 10 14.093 1.689 0.522 0.868 1.000 0.667 CB 1.336 10 residues pruned to eliminate duplicates Z: 15 20.815 1.643 1.060 0.801 1.000 0.643 CB 1.264 17 residues pruned to eliminate duplicates Z: 7 4.612 1.744 0.606 0.244 0.833 0.667 CB 1.085 Z: 12 6.637 1.655 0.584 0.343 0.818 0.545 CB 1.107 11 residues pruned to eliminate duplicates Z: 13 13.378 1.524 0.526 0.817 1.000 0.833 CA 1.261 13 residues pruned to eliminate duplicates Z: 10 4.206 1.438 0.546 0.633 0.556 0.333 CB 1.002 Z: 7 4.421 1.413 0.493 0.471 1.000 0.500 CB 0.881 7 residues pruned to eliminate duplicates Z: 6 6.458 1.591 0.274 0.864 1.000 0.800 CB 1.045 Z: 11 3.975 1.664 0.435 0.230 0.600 0.300 CB 1.203 5 residues pruned to eliminate duplicates Z: 7 4.106 1.674 0.175 0.651 0.833 0.667 CB 0.888 7 residues pruned to eliminate duplicates Z: 21 12.938 1.838 0.589 0.366 0.850 0.350 CB 1.347 14 residues pruned to eliminate duplicates Z: 20 19.257 1.716 0.776 0.830 0.895 0.526 CB 1.219 20 residues pruned to eliminate duplicates Z: 9 15.072 2.016 0.155 0.884 1.000 0.750 CA 1.653 10 residues pruned to eliminate duplicates Z: 7 7.095 1.561 0.706 0.842 0.833 0.667 CB 0.972 Z: 14 19.324 1.601 0.974 0.865 0.923 0.615 CA 1.346 Z: 12 11.606 1.645 0.592 0.694 0.818 0.364 CB 1.367 12 residues pruned to eliminate duplicates Z: 24 20.704 1.713 0.802 0.701 0.913 0.565 CB 1.275 24 residues pruned to eliminate duplicates Z: 28 18.876 1.888 0.482 0.504 0.926 0.667 CB 1.397 29 residues pruned to eliminate duplicates Z: 8 13.088 1.736 0.739 0.697 1.000 0.714 N 1.369 7 residues pruned to eliminate duplicates Z: 10 4.145 1.621 0.643 0.217 0.778 0.444 CB 0.931 Z: 24 14.416 1.714 0.408 0.888 0.870 0.609 CB 1.032 24 residues pruned to eliminate duplicates Z: 11 22.949 1.916 1.025 0.902 1.000 0.800 CA 1.334 11 residues pruned to eliminate duplicates Z: 10 8.558 1.639 0.479 0.849 0.889 0.778 CB 0.981 7 residues pruned to eliminate duplicates Z: 17 13.145 1.633 0.501 0.896 0.938 0.750 CB 1.024 17 residues pruned to eliminate duplicates Z: 21 11.638 1.906 0.579 0.274 0.900 0.450 CB 1.241 15 residues pruned to eliminate duplicates Z: 10 14.948 1.784 0.664 0.850 0.889 0.556 CB 1.398 10 residues pruned to eliminate duplicates Z: 9 6.110 1.564 0.517 0.680 0.750 0.500 CB 1.029 9 residues pruned to eliminate duplicates Z: 7 10.228 1.736 0.411 0.828 1.000 1.000 CB 1.284 7 residues pruned to eliminate duplicates Z: 11 15.434 1.675 0.949 0.822 0.800 0.800 N 1.413 11 residues pruned to eliminate duplicates Z: 17 17.726 1.657 0.524 0.900 1.000 0.750 CB 1.253 17 residues pruned to eliminate duplicates Z: 21 10.762 1.752 0.667 0.349 0.850 0.450 CB 1.142 16 residues pruned to eliminate duplicates Z: 12 8.563 1.396 0.293 0.795 1.000 0.909 CB 1.105 12 residues pruned to eliminate duplicates Z: 13 12.064 1.564 0.339 0.848 1.000 0.833 CA 1.234 13 residues pruned to eliminate duplicates Z: 8 8.096 1.770 0.720 0.549 1.000 0.571 CB 0.959 Z: 12 12.328 1.805 0.293 0.879 0.909 0.909 CB 1.270 12 residues pruned to eliminate duplicates Z: 14 15.950 1.640 0.618 0.824 0.923 0.846 CB 1.364 14 residues pruned to eliminate duplicates Z: 7 13.365 1.907 0.719 0.845 0.833 0.500 CA 1.485 7 residues pruned to eliminate duplicates Z: 15 12.504 1.698 0.347 0.868 1.000 0.714 CB 1.069 15 residues pruned to eliminate duplicates Z: 13 18.245 1.647 0.959 0.909 1.000 0.833 CB 1.159 13 residues pruned to eliminate duplicates Z: 11 6.945 1.490 0.509 0.742 0.900 0.500 CB 0.874 11 residues pruned to eliminate duplicates 7 1.992 1.387 0.158 0.352 0.667 0.333 N 0.891 ? Z: 6 3.448 1.443 0.816 0.321 0.800 0.400 N 0.895 6 1.272 1.353 0.322 0.292 0.400 0.400 N 1.003 ? Z: 15 19.130 1.660 0.830 0.870 0.929 0.429 CB 1.323 15 residues pruned to eliminate duplicates Z: 24 12.360 1.696 0.330 0.560 0.870 0.565 CB 1.240 21 residues pruned to eliminate duplicates Z: 16 9.895 1.717 0.913 0.320 0.733 0.600 CB 1.294 15 residues pruned to eliminate duplicates Z: 11 5.587 1.582 0.671 0.452 0.900 0.500 CB 0.780 11 residues pruned to eliminate duplicates Z: 11 5.755 1.566 0.170 0.472 0.900 0.300 CB 1.135 7 residues pruned to eliminate duplicates Z: 6 3.481 1.469 0.380 0.679 0.800 0.800 CB 0.814 Z: 10 10.703 1.842 0.453 0.484 0.889 0.778 CA 1.525 10 residues pruned to eliminate duplicates Z: 7 3.968 1.195 0.707 0.796 0.833 0.333 N 0.736 7 residues pruned to eliminate duplicates Z: 11 16.982 1.765 1.013 0.892 0.800 0.700 CB 1.358 11 residues pruned to eliminate duplicates 6 1.980 1.653 -0.058 0.553 1.000 0.600 CB 0.540 ? Z: 6 12.843 1.633 1.358 0.819 0.800 0.600 CB 1.414 Z: 12 11.007 1.562 0.416 0.900 1.000 0.909 O 1.073 12 residues pruned to eliminate duplicates Z: 10 2.473 1.686 0.186 0.169 0.778 0.333 CB 0.792 10 residues pruned to eliminate duplicates Z: 6 4.116 1.286 0.535 0.839 1.000 0.600 N 0.696 6 residues pruned to eliminate duplicates Z: 7 2.804 1.393 -0.201 0.672 1.000 0.667 N 0.877 Z: 11 10.869 1.700 0.441 0.835 1.000 0.700 CB 1.051 11 residues pruned to eliminate duplicates Z: 6 3.289 1.378 0.587 0.602 0.800 0.600 CB 0.763 Z: 6 4.428 1.755 0.664 0.699 1.000 0.800 CB 0.566 Z: 9 13.377 1.731 0.496 0.901 0.875 0.625 CB 1.490 9 residues pruned to eliminate duplicates Z: 12 18.000 1.899 0.379 0.901 1.000 0.818 CB 1.479 12 residues pruned to eliminate duplicates Z: 11 14.789 1.767 0.718 0.893 1.000 0.700 CB 1.106 11 residues pruned to eliminate duplicates Z: 15 12.424 1.587 0.621 0.827 0.786 0.357 CB 1.238 15 residues pruned to eliminate duplicates Z: 8 13.743 1.949 0.289 0.833 1.000 0.714 CA 1.551 8 residues pruned to eliminate duplicates Z: 14 12.729 1.720 0.553 0.534 0.846 0.692 CA 1.510 13 residues pruned to eliminate duplicates Z: 17 17.186 1.622 0.605 0.885 0.938 0.562 CB 1.272 17 residues pruned to eliminate duplicates Z: 11 2.194 1.235 0.351 0.223 0.600 0.300 CB 0.958 Z: 8 3.565 1.431 0.569 0.399 0.714 0.571 CB 0.935 8 residues pruned to eliminate duplicates Z: 6 6.185 1.619 0.265 0.767 0.800 0.800 N 1.332 6 residues pruned to eliminate duplicates Z: 6 5.546 1.652 0.171 0.869 1.000 1.000 CB 0.936 6 residues pruned to eliminate duplicates Z: 8 2.882 1.513 0.366 0.212 0.714 0.286 CB 1.036 Z: 23 12.291 1.723 0.536 0.587 0.818 0.636 CB 1.114 23 residues pruned to eliminate duplicates Z: 6 2.942 1.513 0.257 0.496 0.800 0.400 CB 0.868 8 residues pruned to eliminate duplicates Z: 9 7.981 1.534 0.355 0.854 0.875 0.625 CA 1.145 9 residues pruned to eliminate duplicates Z: 7 7.513 1.663 0.292 0.480 1.000 0.500 CB 1.457 7 residues pruned to eliminate duplicates Z: 11 11.734 1.837 1.186 0.883 1.000 0.800 CB 0.668 11 residues pruned to eliminate duplicates Z: 7 8.133 1.648 0.576 0.862 0.833 0.667 CB 1.127 5 residues pruned to eliminate duplicates Z: 7 4.894 1.487 0.513 0.682 0.833 0.667 CB 0.901 Z: 8 11.320 1.677 0.473 0.863 1.000 0.857 CB 1.271 8 residues pruned to eliminate duplicates Z: 12 10.812 1.745 0.681 0.449 0.818 0.636 O 1.431 12 residues pruned to eliminate duplicates Z: 15 24.734 1.805 0.731 0.887 1.000 0.929 CB 1.526 15 residues pruned to eliminate duplicates Z: 11 13.101 1.789 0.449 0.856 1.000 0.900 CB 1.179 11 residues pruned to eliminate duplicates Z: 22 15.322 1.652 0.410 0.838 0.857 0.667 CB 1.252 23 residues pruned to eliminate duplicates Z: 13 14.755 1.578 0.597 0.880 1.000 0.750 CB 1.225 13 residues pruned to eliminate duplicates Z: 11 5.908 1.868 0.260 0.346 0.700 0.500 CB 1.340 11 residues pruned to eliminate duplicates Z: 9 11.913 1.724 0.400 0.797 1.000 0.750 CA 1.345 9 residues pruned to eliminate duplicates 6 1.549 1.290 0.463 0.342 0.600 0.600 CB 0.727 ? Z: 6 2.637 1.508 1.135 0.395 0.400 0.400 CB 1.023 6 residues pruned to eliminate duplicates Z: 6 3.339 1.670 0.288 0.496 0.800 0.600 CB 0.872 Z: 6 12.573 1.729 0.969 0.861 1.000 0.800 N 1.214 Z: 9 6.356 1.556 0.583 0.474 0.875 0.750 CB 1.070 Z: 7 5.706 1.349 0.680 0.756 1.000 0.833 CA 0.818 6 residues pruned to eliminate duplicates Z: 6 3.641 1.829 -0.032 0.305 0.800 0.400 CB 1.428 Z: 6 4.298 1.691 0.435 0.601 0.600 0.600 CB 1.199 6 residues pruned to eliminate duplicates Z: 16 17.435 1.675 0.566 0.886 0.867 0.600 CB 1.428 16 residues pruned to eliminate duplicates Z: 6 3.126 1.359 0.604 0.485 0.600 0.600 CB 1.086 Z: 22 13.358 1.724 0.557 0.804 0.810 0.381 CB 1.029 22 residues pruned to eliminate duplicates Z: 22 9.207 1.717 0.415 0.508 0.762 0.429 CB 1.077 18 residues pruned to eliminate duplicates Z: 7 2.653 1.700 -0.404 0.517 0.833 0.667 CB 1.260 Z: 8 9.284 1.746 0.556 0.801 0.857 0.857 CB 1.158 8 residues pruned to eliminate duplicates Z: 30 35.587 1.888 0.915 0.905 0.966 0.793 CB 1.347 30 residues pruned to eliminate duplicates Z: 21 10.099 1.615 0.367 0.434 0.850 0.600 CB 1.288 21 residues pruned to eliminate duplicates Z: 13 4.426 1.700 -0.023 0.267 0.833 0.333 CB 1.204 7 residues pruned to eliminate duplicates Z: 10 3.672 1.429 0.475 0.423 0.556 0.333 CB 1.132 Z: 12 4.879 1.340 0.701 0.642 0.727 0.545 N 0.777 12 residues pruned to eliminate duplicates Z: 14 7.987 1.556 0.463 0.511 1.000 0.692 CB 0.962 Z: 26 12.489 1.602 0.598 0.567 0.800 0.520 CB 1.143 26 residues pruned to eliminate duplicates Z: 8 4.331 1.480 0.448 0.439 0.714 0.571 CB 1.139 8 residues pruned to eliminate duplicates Z: 8 11.462 1.735 1.074 0.853 1.000 0.571 CB 0.890 8 residues pruned to eliminate duplicates Z: 25 19.503 1.838 0.725 0.614 0.917 0.458 CB 1.229 25 residues pruned to eliminate duplicates Z: 9 11.336 1.619 0.445 0.874 1.000 1.000 CB 1.247 9 residues pruned to eliminate duplicates Z: 9 6.093 1.859 0.368 0.439 0.625 0.375 O 1.444 9 residues pruned to eliminate duplicates Z: 10 10.771 1.596 0.650 0.841 0.889 0.667 CA 1.144 10 residues pruned to eliminate duplicates Z: 8 4.139 1.515 0.056 0.386 1.000 0.286 CB 1.104 Z: 7 4.887 1.683 0.298 0.808 0.833 0.833 CB 0.839 7 residues pruned to eliminate duplicates Z: 6 3.191 1.415 0.177 0.404 1.000 0.200 O 0.948 6 residues pruned to eliminate duplicates Z: 8 3.560 1.424 0.386 0.484 0.714 0.429 CB 0.970 Z: 6 9.889 1.630 0.640 0.809 1.000 0.600 N 1.264 6 residues pruned to eliminate duplicates Z: 11 5.849 1.577 0.334 0.323 0.900 0.700 CA 1.188 9 residues pruned to eliminate duplicates Z: 24 30.554 1.765 1.122 0.896 0.913 0.609 CB 1.335 24 residues pruned to eliminate duplicates Z: 17 16.926 1.628 0.642 0.760 0.938 0.625 CB 1.341 17 residues pruned to eliminate duplicates Z: 12 13.923 1.717 0.652 0.777 0.818 0.455 CB 1.417 12 residues pruned to eliminate duplicates Z: 6 6.686 1.843 0.415 0.571 0.800 0.400 CA 1.338 6 residues pruned to eliminate duplicates Z: 6 4.306 1.658 0.202 0.212 1.000 0.400 N 1.356 Z: 18 24.356 1.998 1.477 0.679 0.941 0.353 CB 1.076 18 residues pruned to eliminate duplicates Z: 27 16.750 1.761 0.594 0.609 0.885 0.538 CB 1.193 24 residues pruned to eliminate duplicates Z: 16 13.392 1.637 0.274 0.896 1.000 0.867 O 1.188 16 residues pruned to eliminate duplicates Z: 9 6.526 1.420 0.533 0.798 0.750 0.750 CB 1.088 9 residues pruned to eliminate duplicates Z: 10 6.176 1.471 0.153 0.682 0.889 0.333 N 1.156 10 residues pruned to eliminate duplicates Z: 10 5.423 1.655 0.023 0.405 1.000 0.444 CB 1.179 Z: 9 16.461 1.786 0.801 0.868 1.000 0.500 CB 1.322 12 residues pruned to eliminate duplicates Z: 13 14.992 1.590 0.709 0.867 1.000 0.583 CB 1.165 13 residues pruned to eliminate duplicates Z: 8 3.899 1.410 0.626 0.402 0.857 0.714 CB 0.832 Z: 8 8.418 1.474 0.464 0.801 1.000 0.571 CB 1.134 8 residues pruned to eliminate duplicates Z: 9 5.297 1.676 0.587 0.236 0.750 0.250 CB 1.275 9 residues pruned to eliminate duplicates Z: 12 17.518 1.665 0.884 0.875 1.000 0.636 CB 1.225 13 residues pruned to eliminate duplicates Z: 6 5.348 1.564 0.402 0.516 1.000 0.800 CB 1.074 8 residues pruned to eliminate duplicates Z: 6 8.487 1.815 0.543 0.765 1.000 0.600 CB 1.070 6 residues pruned to eliminate duplicates Z: 15 8.590 1.603 0.345 0.765 0.929 0.571 CB 0.906 15 residues pruned to eliminate duplicates Z: 13 10.919 1.614 0.635 0.900 1.000 1.000 CB 0.853 13 residues pruned to eliminate duplicates Z: 6 4.157 1.480 0.563 0.701 0.800 0.600 O 0.837 Z: 15 16.737 1.830 0.938 0.715 0.857 0.714 CB 1.210 15 residues pruned to eliminate duplicates Z: 11 17.089 1.718 0.648 0.800 1.000 0.500 O 1.469 22 residues pruned to eliminate duplicates Z: 9 6.166 1.669 0.439 0.769 0.625 0.375 CB 1.145 9 residues pruned to eliminate duplicates Z: 14 21.786 1.680 1.116 0.869 0.923 0.462 CB 1.345 14 residues pruned to eliminate duplicates Z: 9 11.524 1.579 0.969 0.693 0.875 0.500 CB 1.255 9 residues pruned to eliminate duplicates Z: 13 3.897 1.441 0.433 0.216 0.667 0.250 CB 1.141 Z: 6 5.094 1.530 1.162 0.492 0.600 0.400 CA 1.157 Z: 9 3.447 1.501 0.068 0.338 0.750 0.250 N 1.209 Z: 7 6.645 1.496 0.304 0.877 1.000 1.000 CB 1.009 6 residues pruned to eliminate duplicates Z: 8 6.351 1.531 0.545 0.476 1.000 0.571 CA 1.040 8 residues pruned to eliminate duplicates Z: 15 7.326 1.723 0.445 0.651 0.714 0.500 CB 0.957 Z: 12 4.628 1.600 0.287 0.415 0.818 0.636 CB 0.905 12 residues pruned to eliminate duplicates Z: 14 15.015 1.605 0.588 0.897 1.000 0.769 CB 1.170 14 residues pruned to eliminate duplicates Z: 9 3.713 1.497 0.660 0.389 0.625 0.500 CA 0.951 8 residues pruned to eliminate duplicates Z: 6 2.202 1.542 0.352 0.806 0.600 0.600 CB 0.603 6 residues pruned to eliminate duplicates 6 1.825 1.116 0.751 0.321 0.600 0.400 CB 0.848 ? Z: 16 17.414 1.675 0.642 0.829 0.867 0.667 CB 1.419 16 residues pruned to eliminate duplicates Z: 16 5.009 1.541 0.394 0.390 0.800 0.600 CB 0.846 16 residues pruned to eliminate duplicates Z: 13 12.778 1.513 0.576 0.829 1.000 0.500 CA 1.164 13 residues pruned to eliminate duplicates Z: 9 2.782 1.535 0.385 0.700 0.750 0.375 CB 0.514 Z: 7 4.189 1.516 0.403 0.854 0.833 0.667 CB 0.712 7 residues pruned to eliminate duplicates Z: 14 13.954 1.703 0.529 0.852 1.000 0.923 CB 1.099 14 residues pruned to eliminate duplicates Z: 7 5.146 1.668 0.264 0.660 0.833 0.667 CB 1.031 7 residues pruned to eliminate duplicates Z: 8 6.988 1.638 0.364 0.525 0.857 0.571 N 1.345 Z: 9 5.207 1.523 0.323 0.682 0.750 0.375 O 1.030 9 residues pruned to eliminate duplicates Z: 8 9.198 1.720 0.475 0.856 1.000 0.857 CB 1.011 8 residues pruned to eliminate duplicates Z: 8 7.533 1.664 0.444 0.852 0.857 0.429 CB 1.023 8 residues pruned to eliminate duplicates Z: 26 15.077 1.848 0.693 0.446 0.840 0.600 CB 1.213 26 residues pruned to eliminate duplicates Z: 7 6.926 1.598 0.568 0.822 0.833 0.833 CB 1.024 7 residues pruned to eliminate duplicates Z: 25 21.911 1.838 0.746 0.635 0.917 0.583 CB 1.340 25 residues pruned to eliminate duplicates Z: 6 5.671 1.604 0.400 0.581 1.000 0.800 CB 1.045 Z: 8 6.724 1.879 0.663 0.301 0.857 0.429 CB 1.185 Z: 10 17.383 1.994 0.749 0.887 1.000 0.778 CB 1.197 10 residues pruned to eliminate duplicates Z: 6 4.770 1.716 -0.008 0.589 1.000 0.600 CB 1.151 Z: 6 3.275 1.486 0.705 0.444 0.800 0.400 CB 0.766 Z: 12 13.880 1.531 0.806 0.794 1.000 0.727 N 1.169 10 residues pruned to eliminate duplicates Z: 17 7.400 1.534 0.529 0.457 0.750 0.312 CB 1.099 17 residues pruned to eliminate duplicates Z: 8 2.524 1.565 -0.098 0.405 0.714 0.571 CB 1.045 Z: 7 3.767 1.543 -0.037 0.396 1.000 0.333 N 1.154 Z: 13 12.360 1.651 0.543 0.650 0.917 0.750 N 1.329 13 residues pruned to eliminate duplicates Z: 13 15.047 1.733 0.251 0.892 1.000 0.750 O 1.440 13 residues pruned to eliminate duplicates Z: 11 8.783 1.519 0.544 0.642 1.000 0.400 CB 1.038 7 residues pruned to eliminate duplicates Z: 13 8.601 1.648 0.456 0.452 0.833 0.583 CB 1.304 13 residues pruned to eliminate duplicates Z: 7 3.507 1.408 0.267 0.629 0.833 0.500 CB 0.852 6 1.829 1.219 0.977 0.299 0.600 0.600 CB 0.708 ? Z: 12 5.021 1.613 0.564 0.160 0.727 0.364 CB 1.250 12 residues pruned to eliminate duplicates Z: 8 6.667 1.577 0.840 0.696 0.857 0.714 CA 0.847 8 residues pruned to eliminate duplicates Z: 23 25.419 1.815 0.789 0.876 0.955 0.727 CB 1.271 23 residues pruned to eliminate duplicates Z: 6 4.455 1.307 0.512 0.709 0.800 0.600 N 1.043 Z: 8 6.268 1.696 0.290 0.539 0.857 0.714 CB 1.217 7 residues pruned to eliminate duplicates Z: 8 2.675 1.639 0.361 0.221 0.571 0.286 CA 1.099 Z: 6 4.978 1.503 0.507 0.856 0.800 0.400 CB 0.906 Z: 9 9.642 1.656 0.500 0.728 0.875 0.625 CB 1.278 9 residues pruned to eliminate duplicates Z: 18 12.501 1.698 0.397 0.895 0.941 0.647 CB 0.973 18 residues pruned to eliminate duplicates Z: 13 3.994 1.569 0.356 0.219 0.833 0.333 CB 0.904 Z: 9 2.861 1.412 0.368 0.262 0.875 0.250 CB 0.785 6 residues pruned to eliminate duplicates Z: 8 5.921 1.560 0.313 0.477 0.857 0.429 CB 1.305 Z: 7 5.270 1.773 0.232 0.313 0.833 0.667 CB 1.455 Z: 7 7.388 1.653 0.495 0.819 0.667 0.500 CB 1.388 7 residues pruned to eliminate duplicates Z: 17 17.001 1.833 0.874 0.881 0.875 0.750 CB 1.024 17 residues pruned to eliminate duplicates Z: 20 8.178 1.604 0.526 0.357 0.842 0.421 CB 1.062 20 residues pruned to eliminate duplicates Z: 8 5.300 1.574 0.117 0.548 0.857 0.857 CB 1.268 8 residues pruned to eliminate duplicates Z: 12 6.330 1.350 0.825 0.783 0.909 0.273 CB 0.664 12 residues pruned to eliminate duplicates Z: 11 9.098 1.779 0.666 0.455 0.900 0.500 CB 1.129 13 residues pruned to eliminate duplicates Z: 6 3.596 1.516 0.700 0.423 1.000 0.800 CB 0.676 Z: 7 11.673 1.867 0.564 0.725 1.000 0.667 CA 1.332 7 residues pruned to eliminate duplicates Z: 6 2.403 1.185 0.261 0.546 0.800 0.400 N 0.860 Z: 16 6.887 1.580 0.530 0.309 0.867 0.667 CB 1.050 16 residues pruned to eliminate duplicates Z: 18 19.859 1.819 0.837 0.869 1.000 0.471 CB 1.053 17 residues pruned to eliminate duplicates Z: 7 2.926 1.466 -0.009 0.468 0.667 0.500 CB 1.274 7 residues pruned to eliminate duplicates Z: 7 3.852 1.395 0.149 0.479 1.000 0.333 CA 1.002 Z: 6 3.551 1.204 0.134 0.729 1.000 0.600 C 0.947 Z: 6 13.142 1.900 0.814 0.891 1.000 0.800 CB 1.226 6 residues pruned to eliminate duplicates Z: 6 6.991 1.719 0.141 0.835 1.000 1.000 CB 1.195 17 residues pruned to eliminate duplicates Z: 37 17.481 1.684 0.587 0.520 0.833 0.639 CB 1.282 41 residues pruned to eliminate duplicates Z: 12 11.774 1.685 0.933 0.527 0.818 0.364 CB 1.297 13 residues pruned to eliminate duplicates Z: 9 8.644 1.438 0.554 0.854 0.875 0.500 O 1.154 Z: 42 21.704 1.806 0.680 0.511 0.854 0.585 CB 1.294 57 residues pruned to eliminate duplicates Z: 12 20.228 1.896 1.277 0.879 0.909 0.818 CB 1.127 12 residues pruned to eliminate duplicates Z: 12 14.484 1.696 0.295 0.891 1.000 0.636 CB 1.429 12 residues pruned to eliminate duplicates Z: 13 10.761 1.667 0.150 0.845 0.917 0.833 CB 1.314 13 residues pruned to eliminate duplicates Z: 18 18.452 1.572 0.720 0.851 0.941 0.647 N 1.301 18 residues pruned to eliminate duplicates Z: 11 4.658 1.661 0.327 0.484 0.900 0.600 CB 0.755 9 residues pruned to eliminate duplicates Z: 12 15.573 1.705 0.760 0.796 0.909 0.727 CB 1.328 12 residues pruned to eliminate duplicates Z: 15 13.848 1.704 0.559 0.813 0.857 0.429 CB 1.238 15 residues pruned to eliminate duplicates Z: 9 8.672 1.631 0.588 0.472 1.000 0.500 CB 1.218 Z: 10 12.200 1.565 0.915 0.848 0.778 0.667 CA 1.294 9 residues pruned to eliminate duplicates Z: 12 5.347 1.693 0.135 0.488 0.818 0.636 CB 1.038 Z: 11 21.705 1.920 1.199 0.912 1.000 0.900 CA 1.152 Z: 6 4.229 1.529 0.245 0.682 1.000 0.400 CB 0.841 6 residues pruned to eliminate duplicates Z: 9 3.865 1.664 0.506 0.291 0.500 0.250 CB 1.379 18 residues pruned to eliminate duplicates Z: 8 5.530 1.322 0.566 0.805 1.000 0.714 CB 0.773 Z: 12 15.469 1.813 0.619 0.869 0.909 0.636 CB 1.277 12 residues pruned to eliminate duplicates Z: 8 9.037 1.657 0.322 0.831 1.000 0.857 N 1.171 8 residues pruned to eliminate duplicates Z: 11 13.507 1.905 0.902 0.872 1.000 0.900 CB 0.859 11 residues pruned to eliminate duplicates Z: 9 4.810 1.574 0.052 0.454 0.875 0.375 CB 1.231 Z: 7 4.438 1.148 0.836 0.756 0.833 0.500 CB 0.822 Z: 14 9.536 1.750 0.599 0.508 0.846 0.462 CB 1.108 14 residues pruned to eliminate duplicates Z: 10 11.127 1.638 0.528 0.773 0.889 0.444 CB 1.310 10 residues pruned to eliminate duplicates Z: 7 6.905 1.545 0.464 0.723 1.000 0.833 CB 1.019 Z: 10 4.499 1.585 0.427 0.322 0.778 0.556 CB 1.037 10 residues pruned to eliminate duplicates Z: 12 5.361 1.572 0.331 0.370 0.818 0.545 CB 1.086 12 residues pruned to eliminate duplicates Z: 6 14.297 1.732 0.964 0.856 1.000 1.000 CB 1.386 6 residues pruned to eliminate duplicates Z: 11 13.954 1.580 0.560 0.901 1.000 0.700 CA 1.278 11 residues pruned to eliminate duplicates Z: 9 8.925 1.639 0.210 0.852 1.000 0.875 O 1.177 9 residues pruned to eliminate duplicates Z: 7 5.816 1.604 0.440 0.380 1.000 0.500 CB 1.169 Z: 13 9.211 1.784 0.718 0.442 0.917 0.583 CB 1.005 3 residues pruned to eliminate duplicates Z: 9 2.104 1.485 0.183 0.255 0.625 0.375 CB 0.898 Z: 8 11.034 1.638 0.499 0.867 1.000 0.857 CB 1.242 8 residues pruned to eliminate duplicates Z: 6 7.972 1.651 0.613 0.702 1.000 0.800 N 1.113 Z: 21 17.478 1.821 0.370 0.923 0.950 0.850 CB 1.158 21 residues pruned to eliminate duplicates Z: 11 3.859 1.411 0.242 0.439 0.900 0.500 CB 0.824 Z: 8 3.343 1.739 0.051 0.625 0.857 0.429 CB 0.717 Z: 8 2.767 1.561 0.124 0.329 0.714 0.429 CB 1.007 Z: 8 10.438 1.666 0.396 0.897 1.000 0.857 CB 1.215 15 residues pruned to eliminate duplicates Z: 6 2.015 1.344 0.382 0.575 1.000 0.800 CB 0.452 Z: 15 22.196 1.726 0.842 0.892 0.929 0.429 CB 1.444 15 residues pruned to eliminate duplicates 7 1.676 1.473 -0.036 0.438 0.833 0.500 CB 0.616 ? Z: 12 10.035 1.545 0.333 0.923 1.000 1.000 CB 1.032 15 residues pruned to eliminate duplicates Z: 7 2.229 1.216 0.616 0.300 0.833 0.500 N 0.695 Z: 9 11.481 1.466 0.747 0.826 1.000 0.625 CB 1.195 9 residues pruned to eliminate duplicates Z: 13 5.062 1.434 0.164 0.524 0.833 0.750 CB 1.025 6 residues pruned to eliminate duplicates Z: 16 17.726 1.747 0.358 0.843 1.000 0.733 CB 1.437 16 residues pruned to eliminate duplicates Z: 8 9.073 1.769 0.679 0.780 0.714 0.286 CB 1.263 8 residues pruned to eliminate duplicates Z: 10 8.210 1.460 0.382 0.853 1.000 0.778 CB 1.002 7 residues pruned to eliminate duplicates Z: 11 4.830 1.672 0.419 0.189 0.700 0.400 N 1.334 11 residues pruned to eliminate duplicates Z: 12 10.811 1.513 0.787 0.880 0.818 0.636 CB 1.068 10 residues pruned to eliminate duplicates Z: 9 12.271 1.660 0.377 0.829 1.000 0.500 CB 1.428 9 residues pruned to eliminate duplicates Z: 6 6.360 1.725 0.219 0.609 1.000 1.000 CA 1.219 6 residues pruned to eliminate duplicates Z: 10 7.383 1.599 0.103 0.800 1.000 0.667 CB 1.073 10 residues pruned to eliminate duplicates Z: 14 13.833 1.598 0.630 0.872 1.000 0.692 CB 1.074 14 residues pruned to eliminate duplicates Z: 28 31.703 1.848 1.112 0.924 0.963 0.815 CB 1.140 28 residues pruned to eliminate duplicates Z: 21 22.199 1.750 1.198 0.867 0.850 0.400 CB 1.111 21 residues pruned to eliminate duplicates Z: 14 10.306 1.790 0.640 0.604 0.923 0.462 CB 0.955 14 residues pruned to eliminate duplicates Z: 6 3.386 1.478 0.686 0.420 1.000 0.400 CB 0.661 6 residues pruned to eliminate duplicates Z: 13 20.213 1.790 0.851 0.885 1.000 0.667 CB 1.272 13 residues pruned to eliminate duplicates Z: 13 11.669 1.625 0.452 0.914 1.000 1.000 CB 1.009 13 residues pruned to eliminate duplicates Z: 14 12.162 1.659 0.736 0.858 0.846 0.231 CB 1.019 14 residues pruned to eliminate duplicates Z: 11 10.903 1.536 0.770 0.827 0.800 0.500 CB 1.195 11 residues pruned to eliminate duplicates Z: 10 13.139 1.595 0.503 0.834 1.000 0.667 CA 1.370 10 residues pruned to eliminate duplicates Z: 6 2.456 1.249 0.485 0.666 0.800 0.600 N 0.635 6 residues pruned to eliminate duplicates Z: 14 22.493 1.742 0.859 0.864 1.000 0.538 CB 1.412 14 residues pruned to eliminate duplicates Z: 7 4.202 1.421 0.286 0.526 1.000 0.500 CB 0.914 Z: 6 3.463 1.480 0.169 0.437 1.000 0.400 CB 0.956 6 residues pruned to eliminate duplicates Z: 8 5.134 1.561 0.486 0.508 1.000 0.429 CB 0.830 5 residues pruned to eliminate duplicates Z: 8 8.473 1.921 0.484 0.387 1.000 0.714 CA 1.266 8 residues pruned to eliminate duplicates Z: 10 4.882 1.547 0.512 0.333 0.667 0.444 N 1.253 7 1.935 1.158 0.076 0.474 0.833 0.667 CB 0.781 ? 8 1.388 1.606 -0.120 0.071 0.571 0.429 CA 1.137 ? Z: 10 10.329 1.573 0.688 0.864 1.000 0.778 CB 0.951 10 residues pruned to eliminate duplicates Z: 7 6.366 1.428 0.500 0.793 0.833 0.833 O 1.126 6 residues pruned to eliminate duplicates Z: 9 9.570 1.551 0.513 0.863 1.000 0.875 CB 1.057 9 residues pruned to eliminate duplicates Z: 9 3.792 1.477 0.276 0.424 0.625 0.375 C 1.232 Z: 19 21.696 1.965 1.293 0.634 0.833 0.389 CB 1.201 19 residues pruned to eliminate duplicates Z: 13 5.439 1.648 0.600 0.244 0.667 0.417 N 1.200 Z: 6 3.499 1.471 0.221 0.576 0.800 0.400 CB 1.013 Z: 17 13.831 1.588 0.896 0.768 0.938 0.562 CB 0.966 16 residues pruned to eliminate duplicates Z: 10 6.385 1.733 0.434 0.558 0.778 0.556 CB 1.041 10 residues pruned to eliminate duplicates Z: 23 13.877 1.578 0.761 0.536 0.864 0.500 CB 1.190 23 residues pruned to eliminate duplicates Z: 9 6.043 1.409 0.209 0.839 1.000 0.750 O 0.937 9 residues pruned to eliminate duplicates Z: 6 3.243 1.167 0.701 0.573 0.800 0.600 N 0.851 Z: 15 10.195 1.704 0.413 0.527 0.857 0.571 CB 1.286 15 residues pruned to eliminate duplicates Z: 6 2.366 1.671 0.103 0.346 0.600 0.400 CA 1.131 Z: 9 8.363 1.638 0.389 0.854 0.875 0.875 CB 1.097 9 residues pruned to eliminate duplicates Z: 8 6.119 1.590 0.585 0.592 0.857 0.429 CB 0.981 8 residues pruned to eliminate duplicates Z: 14 11.753 1.560 0.649 0.843 1.000 0.615 CB 0.943 14 residues pruned to eliminate duplicates Z: 12 2.441 1.281 0.155 0.180 0.818 0.364 CB 0.894 Z: 9 2.694 1.294 0.079 0.312 0.750 0.250 O 1.119 6 residues pruned to eliminate duplicates Z: 12 8.505 1.516 0.145 0.791 0.909 0.909 CA 1.258 12 residues pruned to eliminate duplicates Z: 10 2.846 1.318 0.297 0.249 0.778 0.444 CB 0.952 Z: 23 15.655 1.536 0.565 0.915 0.955 0.773 CB 1.028 22 residues pruned to eliminate duplicates Z: 10 6.474 1.371 0.437 0.742 0.778 0.556 CB 1.134 10 residues pruned to eliminate duplicates Z: 6 2.347 1.260 0.179 0.484 0.800 0.600 O 0.898 Z: 7 5.284 1.426 0.330 0.616 1.000 0.667 N 1.019 Z: 6 2.789 1.467 0.046 0.553 0.800 0.600 CB 0.965 Z: 8 3.382 1.378 0.311 0.295 1.000 0.429 CB 0.891 Z: 9 4.605 1.564 0.369 0.384 0.750 0.500 CB 1.147 11 residues pruned to eliminate duplicates Z: 6 5.506 1.583 0.113 0.671 1.000 0.800 CB 1.194 Z: 11 16.723 1.881 0.760 0.847 0.800 0.500 CB 1.483 11 residues pruned to eliminate duplicates Z: 16 17.958 1.914 0.981 0.597 0.867 0.333 CB 1.285 16 residues pruned to eliminate duplicates Z: 19 7.372 1.542 0.527 0.490 0.833 0.444 CB 0.895 11 residues pruned to eliminate duplicates Z: 11 5.723 1.676 0.432 0.477 0.800 0.600 CB 0.964 11 residues pruned to eliminate duplicates Z: 10 7.582 1.756 0.498 0.602 0.778 0.556 CB 1.121 6 residues pruned to eliminate duplicates Z: 9 2.510 1.384 0.319 0.294 0.625 0.250 O 0.980 Z: 14 27.794 1.791 0.939 0.916 1.000 0.923 CB 1.568 14 residues pruned to eliminate duplicates Z: 6 5.039 1.377 0.469 0.465 1.000 0.800 CA 1.154 Z: 13 9.680 1.458 0.673 0.887 0.833 0.667 CB 0.992 11 residues pruned to eliminate duplicates Z: 6 3.193 1.409 -0.036 0.694 0.800 0.400 N 1.102 Z: 7 3.341 1.569 0.373 0.383 0.667 0.667 CB 1.076 Z: 6 2.777 1.616 0.169 0.188 1.000 0.400 CA 0.954 Z: 9 4.970 1.576 0.543 0.450 0.750 0.250 CB 1.014 9 residues pruned to eliminate duplicates Z: 10 10.833 1.746 0.301 0.805 1.000 0.667 CB 1.218 10 residues pruned to eliminate duplicates Z: 6 5.818 1.627 0.476 0.596 1.000 0.600 CA 0.989 6 residues pruned to eliminate duplicates Z: 13 10.738 1.564 0.551 0.613 0.917 0.583 CB 1.253 13 residues pruned to eliminate duplicates Z: 9 2.318 1.436 0.543 0.189 0.875 0.250 CB 0.614 Z: 11 18.079 1.774 0.954 0.883 0.800 0.700 CB 1.491 11 residues pruned to eliminate duplicates Z: 15 22.783 1.828 0.648 0.916 1.000 0.929 CB 1.427 15 residues pruned to eliminate duplicates Z: 6 5.112 1.492 0.680 0.610 0.800 0.800 CB 1.027 Z: 6 2.358 1.295 -0.047 0.297 1.000 0.600 N 1.072 Z: 17 17.734 1.795 0.938 0.908 0.938 0.875 CB 0.966 17 residues pruned to eliminate duplicates Z: 9 7.900 1.893 0.560 0.638 0.750 0.750 CB 1.108 9 residues pruned to eliminate duplicates Z: 15 6.872 1.420 0.396 0.666 0.929 0.500 CB 0.856 15 residues pruned to eliminate duplicates Z: 6 3.264 1.527 -0.086 0.448 1.000 0.600 O 1.103 6 residues pruned to eliminate duplicates Z: 6 3.029 1.394 0.405 0.299 0.800 0.600 CA 1.082 Z: 6 2.617 1.406 0.183 0.593 1.000 0.400 CB 0.644 Z: 14 5.173 1.538 0.559 0.408 0.846 0.462 CB 0.778 Z: 9 4.791 1.513 0.634 0.256 0.875 0.375 N 1.035 Z: 10 8.527 1.628 0.486 0.658 1.000 0.556 CB 1.014 8 residues pruned to eliminate duplicates Z: 10 7.803 1.516 0.498 0.878 1.000 0.667 CB 0.831 10 residues pruned to eliminate duplicates Z: 6 3.282 1.610 0.070 0.770 0.800 0.800 CB 0.839 6 residues pruned to eliminate duplicates Z: 23 14.891 1.658 0.690 0.769 0.864 0.500 CB 1.035 23 residues pruned to eliminate duplicates Z: 28 23.156 2.013 0.698 0.538 0.852 0.741 CB 1.475 28 residues pruned to eliminate duplicates Z: 12 6.959 1.812 0.576 0.296 0.818 0.545 CB 1.128 20 residues pruned to eliminate duplicates Z: 12 18.474 1.629 1.016 0.857 1.000 0.727 CA 1.250 13 residues pruned to eliminate duplicates Z: 23 18.341 1.708 0.673 0.695 0.955 0.500 CB 1.199 22 residues pruned to eliminate duplicates Z: 12 18.389 1.917 0.803 0.581 1.000 0.455 CB 1.484 12 residues pruned to eliminate duplicates Z: 17 22.369 1.724 1.053 0.878 0.938 0.625 CA 1.223 17 residues pruned to eliminate duplicates Z: 9 2.527 1.429 -0.007 0.307 0.875 0.750 CB 0.892 9 residues pruned to eliminate duplicates Z: 8 7.700 1.674 0.480 0.641 1.000 0.571 CB 1.029 8 residues pruned to eliminate duplicates Z: 12 3.672 1.462 0.480 0.194 0.636 0.364 N 1.159 Z: 8 4.794 1.523 0.364 0.266 0.857 0.429 CB 1.328 Z: 6 2.869 1.163 0.257 0.775 0.800 0.600 N 0.860 Z: 13 6.707 1.460 0.531 0.499 0.833 0.833 CA 1.040 Z: 11 7.493 1.714 0.469 0.434 0.900 0.500 CB 1.119 Z: 7 2.877 1.387 -0.011 0.612 0.833 0.833 CB 0.924 Z: 6 3.045 1.224 0.214 0.795 0.800 0.600 O 0.885 6 1.937 1.258 0.449 0.456 0.600 0.400 CB 0.828 ? Z: 9 6.649 1.407 0.838 0.588 0.875 0.625 CB 0.955 9 residues pruned to eliminate duplicates Z: 8 5.080 1.396 0.421 0.440 1.000 0.571 CB 1.029 5 residues pruned to eliminate duplicates Z: 8 6.877 1.619 0.497 0.637 0.857 0.714 CB 1.100 8 residues pruned to eliminate duplicates Z: 12 19.763 1.940 1.251 0.897 1.000 0.636 CB 0.977 12 residues pruned to eliminate duplicates Z: 25 5.831 1.538 0.253 0.330 0.667 0.417 CB 1.116 25 residues pruned to eliminate duplicates Z: 10 5.266 1.570 0.708 0.330 0.667 0.556 N 1.183 Z: 13 14.729 1.678 0.556 0.853 0.917 0.833 CB 1.313 13 residues pruned to eliminate duplicates Z: 10 7.472 1.668 0.494 0.584 0.778 0.667 CB 1.186 12 residues pruned to eliminate duplicates Z: 14 13.883 1.838 0.689 0.641 0.769 0.385 CB 1.414 14 residues pruned to eliminate duplicates Z: 12 9.808 1.581 0.684 0.467 0.909 0.455 CB 1.263 12 residues pruned to eliminate duplicates Z: 19 7.311 1.450 0.659 0.283 0.778 0.167 N 1.177 12 residues pruned to eliminate duplicates Z: 9 8.160 1.708 0.485 0.517 1.000 0.375 CA 1.117 7 residues pruned to eliminate duplicates Z: 12 4.228 1.355 0.225 0.477 0.909 0.636 CB 0.865 12 residues pruned to eliminate duplicates Z: 7 7.416 1.492 0.542 0.860 0.833 0.667 CB 1.162 8 residues pruned to eliminate duplicates 6 0.899 1.790 0.208 0.100 0.800 0.400 CB 0.387 ? Z: 10 5.066 1.354 0.541 0.814 0.778 0.556 CB 0.792 10 residues pruned to eliminate duplicates Z: 12 5.233 1.581 0.606 0.525 0.727 0.636 CB 0.834 12 residues pruned to eliminate duplicates Z: 21 9.974 1.698 0.685 0.453 0.950 0.500 CB 0.861 21 residues pruned to eliminate duplicates Z: 6 4.108 1.245 0.415 0.642 1.000 0.800 CB 0.913 Z: 8 2.723 1.369 0.376 0.371 0.714 0.286 N 0.878 Z: 7 4.175 1.362 0.535 0.507 1.000 0.333 CB 0.810 Z: 13 12.218 1.587 0.731 0.865 1.000 0.667 CB 0.941 13 residues pruned to eliminate duplicates Z: 15 5.975 1.607 0.512 0.367 0.786 0.500 CB 0.965 11 residues pruned to eliminate duplicates Z: 6 2.848 1.400 0.483 0.590 0.800 0.600 CB 0.704 Z: 9 3.537 1.395 0.536 0.579 0.625 0.625 CB 0.865 9 residues pruned to eliminate duplicates Z: 16 29.955 1.914 0.988 0.923 1.000 0.667 CB 1.429 16 residues pruned to eliminate duplicates Z: 10 3.001 1.349 0.205 0.320 0.778 0.556 CB 0.964 Z: 20 14.237 1.770 0.645 0.415 0.895 0.526 CA 1.370 20 residues pruned to eliminate duplicates Z: 6 2.379 1.580 0.240 0.520 0.600 0.400 CB 0.888 Z: 7 5.542 1.384 0.364 0.646 1.000 0.333 N 1.045 Z: 8 3.328 1.312 0.363 0.471 0.857 0.571 N 0.845 Z: 8 4.997 1.303 0.605 0.344 1.000 0.571 CB 1.069 8 residues pruned to eliminate duplicates Z: 9 7.258 1.435 0.738 0.900 1.000 0.875 CB 0.735 8 residues pruned to eliminate duplicates Z: 8 6.184 1.633 0.471 0.659 0.857 0.714 CB 0.979 6 residues pruned to eliminate duplicates Z: 7 2.579 1.451 0.036 0.434 0.667 0.500 CB 1.125 6 1.762 1.533 0.403 0.100 0.600 0.400 CB 1.018 ? Z: 7 3.258 1.414 0.468 0.612 0.500 0.500 O 1.153 Z: 6 4.983 1.390 0.515 0.789 1.000 0.600 CB 0.822 6 residues pruned to eliminate duplicates Z: 33 21.681 1.939 0.768 0.469 0.906 0.625 CB 1.273 33 residues pruned to eliminate duplicates Z: 6 2.430 1.348 0.173 0.360 0.800 0.600 CB 0.999 Z: 17 10.386 1.630 0.656 0.532 0.875 0.562 CB 1.066 17 residues pruned to eliminate duplicates Z: 8 3.493 1.483 0.375 0.365 0.714 0.571 N 1.048 8 residues pruned to eliminate duplicates Z: 6 2.572 1.253 0.322 0.297 1.000 0.600 CB 0.871 Z: 16 18.602 1.913 0.559 0.568 1.000 0.733 CB 1.507 16 residues pruned to eliminate duplicates Z: 7 2.809 1.390 0.525 0.474 0.667 0.500 N 0.833 Z: 7 12.823 1.696 0.977 0.727 1.000 0.667 CA 1.272 7 residues pruned to eliminate duplicates Z: 26 22.983 1.842 0.696 0.664 0.960 0.760 CB 1.317 26 residues pruned to eliminate duplicates Z: 8 3.048 1.656 0.520 0.459 0.714 0.429 CB 0.668 8 residues pruned to eliminate duplicates Z: 10 13.737 1.663 0.544 0.866 1.000 0.778 CB 1.306 10 residues pruned to eliminate duplicates Z: 6 4.018 1.362 0.143 0.827 1.000 0.800 CB 0.870 Z: 6 6.921 1.530 0.337 0.876 1.000 1.000 CB 1.100 6 residues pruned to eliminate duplicates Z: 8 3.260 1.402 0.332 0.491 0.714 0.429 CB 0.932 Z: 10 8.889 1.643 0.680 0.804 0.778 0.556 N 1.058 10 residues pruned to eliminate duplicates Z: 20 22.162 1.688 0.820 0.883 0.895 0.421 CB 1.338 20 residues pruned to eliminate duplicates Z: 8 2.516 1.386 0.173 0.309 1.000 0.429 CB 0.723 Z: 15 15.269 1.682 0.736 0.841 0.857 0.429 CB 1.216 15 residues pruned to eliminate duplicates Z: 12 6.203 1.402 0.630 0.829 0.818 0.636 CB 0.753 12 residues pruned to eliminate duplicates Z: 6 2.058 1.150 0.584 0.796 0.600 0.600 N 0.650 Z: 6 2.538 1.310 0.256 0.398 0.800 0.400 CB 0.960 Z: 22 30.364 1.981 0.632 0.875 1.000 0.905 CB 1.491 22 residues pruned to eliminate duplicates 9 1.261 1.501 0.413 0.155 0.750 0.250 CB 0.428 ? Z: 7 2.860 1.084 0.308 0.497 1.000 0.500 N 0.826 Z: 7 5.365 1.572 0.959 0.543 0.833 0.333 CB 0.818 Z: 7 3.253 1.325 0.097 0.599 0.833 0.667 CB 0.998 Z: 10 5.252 1.721 0.416 0.881 1.000 0.778 CB 0.520 10 residues pruned to eliminate duplicates Z: 12 11.789 1.674 0.565 0.887 0.909 0.727 CB 1.076 12 residues pruned to eliminate duplicates Z: 6 2.723 1.267 0.479 0.288 1.000 0.600 C 0.825 Z: 23 9.707 1.710 0.835 0.313 0.727 0.318 CB 1.115 23 residues pruned to eliminate duplicates Z: 11 13.455 1.871 0.989 0.899 1.000 0.800 CB 0.817 11 residues pruned to eliminate duplicates Z: 11 4.725 1.337 0.586 0.311 0.800 0.500 CB 1.086 Z: 19 16.675 1.765 0.465 0.841 0.944 0.833 CB 1.201 19 residues pruned to eliminate duplicates Z: 8 3.576 1.581 0.537 0.321 0.571 0.571 CA 1.185 8 residues pruned to eliminate duplicates Z: 16 6.367 1.492 0.588 0.439 0.667 0.200 C 1.109 16 residues pruned to eliminate duplicates Z: 8 3.419 1.457 0.124 0.365 0.857 0.429 CA 1.064 Z: 16 4.389 1.655 0.348 0.323 0.867 0.400 CB 0.712 Z: 10 10.661 2.044 0.172 0.756 0.778 0.556 CB 1.517 10 residues pruned to eliminate duplicates Z: 16 14.555 1.585 0.693 0.791 0.933 0.800 CB 1.162 21 residues pruned to eliminate duplicates Z: 7 3.719 1.403 0.177 0.508 1.000 1.000 CB 0.912 9 1.431 1.278 -0.002 0.176 0.750 0.375 CB 0.782 ? Z: 7 2.766 1.404 0.604 0.557 0.667 0.667 CB 0.711 Z: 12 8.757 1.599 0.274 0.628 0.909 0.727 CB 1.264 12 residues pruned to eliminate duplicates Z: 8 4.170 1.369 0.935 0.243 0.857 0.714 CB 0.934 Z: 13 6.306 1.628 0.392 0.412 0.833 0.583 CB 1.058 Z: 8 2.228 1.228 0.206 0.296 0.857 0.286 CB 0.833 Z: 10 5.898 1.505 0.267 0.557 1.000 0.444 CB 0.975 10 residues pruned to eliminate duplicates Z: 7 2.650 1.513 -0.087 0.477 0.667 0.500 CB 1.202 Z: 12 7.870 1.737 0.546 0.425 0.909 0.545 CB 1.050 13 residues pruned to eliminate duplicates Z: 6 2.250 1.310 0.384 0.370 0.600 0.600 CB 1.064 6 1.707 1.680 -0.181 0.324 1.000 0.800 CB 0.674 ? Z: 16 6.247 1.650 0.416 0.230 0.800 0.400 CB 1.182 16 residues pruned to eliminate duplicates Z: 6 5.146 1.498 0.530 0.694 0.800 0.600 CB 1.051 6 residues pruned to eliminate duplicates 8 1.757 1.368 0.404 0.318 0.571 0.286 N 0.740 ? Z: 11 9.167 1.610 0.324 0.829 1.000 0.600 CB 1.023 11 residues pruned to eliminate duplicates Z: 6 7.832 1.741 0.618 0.818 1.000 0.800 CB 0.943 6 residues pruned to eliminate duplicates Z: 8 9.878 1.672 0.518 0.829 1.000 0.714 CB 1.107 8 residues pruned to eliminate duplicates Z: 7 5.112 1.723 0.526 0.572 1.000 0.833 CB 0.741 6 residues pruned to eliminate duplicates Z: 11 11.850 1.627 0.228 0.791 1.000 0.700 CA 1.452 11 residues pruned to eliminate duplicates Z: 14 9.662 1.487 0.780 0.723 0.769 0.538 CB 1.076 14 residues pruned to eliminate duplicates Z: 9 6.829 1.602 0.351 0.457 0.875 0.500 CA 1.332 9 residues pruned to eliminate duplicates Z: 11 3.478 1.633 0.524 0.183 0.800 0.400 CB 0.809 6 residues pruned to eliminate duplicates Z: 6 3.424 1.424 0.236 0.744 0.800 0.800 C 0.875 Z: 13 3.078 1.462 0.445 0.387 0.500 0.333 CA 0.948 6 residues pruned to eliminate duplicates Z: 6 9.893 1.537 0.652 0.832 1.000 0.800 N 1.307 6 residues pruned to eliminate duplicates Z: 11 3.088 1.437 0.253 0.430 0.700 0.300 CB 0.832 7 residues pruned to eliminate duplicates Z: 7 6.085 1.456 0.275 0.864 1.000 1.000 CB 0.981 7 residues pruned to eliminate duplicates 7 1.636 1.233 -0.014 0.312 0.833 0.667 N 0.812 ? Z: 6 2.969 1.423 0.500 0.308 0.800 0.600 CB 0.962 Z: 10 7.200 1.436 0.806 0.856 0.778 0.667 CB 0.878 7 residues pruned to eliminate duplicates Z: 9 5.128 1.291 0.369 0.410 1.000 0.500 CB 1.128 Z: 8 3.641 1.726 -0.075 0.499 0.857 0.571 CB 1.007 8 residues pruned to eliminate duplicates Z: 11 26.105 1.905 1.403 0.899 1.000 0.700 CA 1.289 11 residues pruned to eliminate duplicates 1000 residues left after pruning, divided into chains as follows: A: 14 B: 35 C: 6 D: 6 E: 31 F: 26 G: 12 H: 9 I: 30 J: 17 K: 9 L: 9 M: 12 N: 14 O: 15 P: 7 Q: 38 R: 7 S: 54 T: 9 U: 26 V: 8 W: 28 X: 9 Y: 25 Z: 58 Z: 30 Z: 22 Z: 15 Z: 9 Z: 10 Z: 35 Z: 13 Z: 18 Z: 11 Z: 9 Z: 12 Z: 7 Z: 6 Z: 7 Z: 36 Z: 25 Z: 16 Z: 13 Z: 17 Z: 6 Z: 11 Z: 25 Z: 27 Z: 43 Z: 6 Z: 17 Z: 22 Z: 18 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 27.44 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.470, Connect. = 0.721 for dens.mod. cycle 1 = 0.300, Contrast = 0.540, Connect. = 0.738 for dens.mod. cycle 2 = 0.300, Contrast = 0.640, Connect. = 0.772 for dens.mod. cycle 3 = 0.300, Contrast = 0.649, Connect. = 0.775 for dens.mod. cycle 4 = 0.300, Contrast = 0.658, Connect. = 0.777 for dens.mod. cycle 5 = 0.300, Contrast = 0.662, Connect. = 0.779 for dens.mod. cycle 6 = 0.300, Contrast = 0.667, Connect. = 0.780 for dens.mod. cycle 7 = 0.300, Contrast = 0.670, Connect. = 0.782 for dens.mod. cycle 8 = 0.300, Contrast = 0.672, Connect. = 0.783 for dens.mod. cycle 9 = 0.300, Contrast = 0.673, Connect. = 0.784 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 7541 peaks > 0.5 sigma used to seed fragment search Space for about 1933 unique residues taking solvent into account 1665 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 13 23.024 2.215 0.413 0.866 1.000 0.750 CA 1.555 B: 13 23.356 2.151 0.624 0.916 0.917 0.917 CA 1.486 13 residues pruned to eliminate duplicates C: 31 49.270 2.271 0.704 0.900 0.967 0.800 CA 1.717 D: 13 15.880 2.023 0.238 0.844 0.917 0.583 CA 1.486 E: 31 49.283 2.276 0.748 0.922 0.967 0.867 CB 1.646 31 residues pruned to eliminate duplicates F: 13 32.681 2.278 1.058 0.908 0.917 0.833 CA 1.559 13 residues pruned to eliminate duplicates G: 31 39.168 2.245 0.498 0.906 0.967 0.900 CA 1.565 31 residues pruned to eliminate duplicates H: 11 22.858 2.156 0.504 0.825 1.000 0.700 CA 1.682 I: 12 27.644 2.235 0.542 0.839 1.000 0.727 CA 1.806 13 residues pruned to eliminate duplicates J: 8 16.228 2.118 0.589 0.765 0.857 0.714 CA 1.681 K: 12 33.878 2.234 1.142 0.892 1.000 0.727 CA 1.533 L: 11 13.381 1.849 0.506 0.850 0.900 0.700 CB 1.250 M: 31 53.006 2.274 0.853 0.926 1.000 0.800 CB 1.611 31 residues pruned to eliminate duplicates N: 9 14.028 1.816 0.857 0.787 1.000 0.875 N 1.143 10 residues pruned to eliminate duplicates O: 13 25.356 2.229 0.702 0.921 1.000 1.000 CA 1.357 13 residues pruned to eliminate duplicates P: 10 47.499 2.612 1.175 0.930 1.000 0.889 CA 1.949 11 residues pruned to eliminate duplicates Q: 11 32.583 2.496 0.549 0.870 1.000 0.700 CA 1.945 11 residues pruned to eliminate duplicates R: 14 30.702 2.161 0.725 0.892 1.000 0.692 CA 1.641 14 residues pruned to eliminate duplicates S: 31 50.395 2.167 0.790 0.937 1.000 0.867 CA 1.651 T: 14 20.886 2.047 0.581 0.884 1.000 0.846 CB 1.294 U: 9 32.743 2.218 1.096 0.909 1.000 0.875 CA 1.767 V: 31 42.148 2.282 0.499 0.919 1.000 0.867 CA 1.586 31 residues pruned to eliminate duplicates W: 12 32.087 2.421 0.810 0.910 0.909 0.818 CA 1.722 12 residues pruned to eliminate duplicates X: 9 15.079 2.037 0.283 0.881 1.000 0.875 CA 1.477 Y: 19 36.235 2.095 1.101 0.905 0.944 0.722 CB 1.462 Z: 9 16.828 2.209 0.333 0.845 1.000 0.875 CA 1.502 8 residues pruned to eliminate duplicates Z: 11 25.575 2.207 1.047 0.883 1.000 0.700 CB 1.294 Z: 11 45.964 2.496 1.153 0.929 1.000 1.000 CB 1.893 12 residues pruned to eliminate duplicates Z: 15 14.405 1.974 0.394 0.847 0.929 0.714 CB 1.118 14 residues pruned to eliminate duplicates Z: 10 25.116 2.124 0.760 0.862 0.889 0.667 CB 1.849 9 residues pruned to eliminate duplicates Z: 8 18.703 2.080 0.934 0.782 0.857 0.857 N 1.599 Z: 30 42.946 2.236 0.546 0.921 0.966 0.828 CA 1.681 30 residues pruned to eliminate duplicates Z: 12 30.103 2.291 1.069 0.846 0.909 0.909 CA 1.565 12 residues pruned to eliminate duplicates Z: 12 25.172 2.207 0.629 0.883 0.909 0.636 CA 1.679 11 residues pruned to eliminate duplicates Z: 8 22.525 2.153 0.677 0.866 1.000 0.857 CA 1.726 8 residues pruned to eliminate duplicates Z: 11 20.140 2.066 0.493 0.824 1.000 0.700 CA 1.560 Z: 9 16.330 2.099 0.523 0.822 1.000 0.500 CA 1.366 9 residues pruned to eliminate duplicates Z: 20 32.417 2.090 0.903 0.876 1.000 0.737 CB 1.359 9 residues pruned to eliminate duplicates Z: 31 45.440 2.239 0.664 0.897 0.967 0.833 CA 1.649 31 residues pruned to eliminate duplicates Z: 18 22.951 2.060 0.540 0.838 0.941 0.824 CB 1.392 18 residues pruned to eliminate duplicates Z: 30 57.969 2.251 1.006 0.922 1.000 0.793 CA 1.676 31 residues pruned to eliminate duplicates Z: 25 42.143 2.168 0.759 0.909 0.958 0.833 CB 1.671 25 residues pruned to eliminate duplicates Z: 9 20.462 2.179 0.544 0.853 0.875 0.875 CA 1.816 9 residues pruned to eliminate duplicates Z: 9 23.084 2.181 0.578 0.899 1.000 1.000 CB 1.696 9 residues pruned to eliminate duplicates Z: 12 22.550 2.080 0.541 0.828 1.000 0.909 CA 1.598 11 residues pruned to eliminate duplicates Z: 16 30.388 2.052 0.789 0.908 0.933 0.867 CB 1.627 Z: 13 24.539 2.141 0.635 0.827 0.917 0.917 CA 1.664 14 residues pruned to eliminate duplicates Z: 11 11.462 2.091 0.431 0.393 1.000 0.500 CB 1.357 Z: 12 27.162 1.955 0.973 0.903 1.000 0.727 CB 1.513 Z: 9 14.780 2.017 0.263 0.865 1.000 0.875 CA 1.502 9 residues pruned to eliminate duplicates Z: 13 26.119 2.121 0.660 0.907 0.917 0.833 CA 1.661 Z: 10 20.688 2.176 0.428 0.815 1.000 0.889 CB 1.688 10 residues pruned to eliminate duplicates Z: 17 17.720 1.833 0.289 0.858 1.000 0.688 CA 1.380 Z: 23 42.410 2.241 0.652 0.912 1.000 0.864 CB 1.730 23 residues pruned to eliminate duplicates Z: 25 10.429 1.780 0.255 0.384 0.833 0.583 CB 1.294 Z: 31 39.885 2.232 0.947 0.924 0.833 0.467 CB 1.412 31 residues pruned to eliminate duplicates Z: 14 24.410 2.027 0.813 0.862 1.000 0.846 CB 1.352 14 residues pruned to eliminate duplicates Z: 32 53.433 2.212 0.973 0.941 1.000 0.677 CB 1.526 32 residues pruned to eliminate duplicates Z: 21 38.460 2.189 0.930 0.922 0.950 0.750 CA 1.507 21 residues pruned to eliminate duplicates Z: 12 22.704 2.095 0.573 0.905 0.909 0.636 CB 1.627 12 residues pruned to eliminate duplicates Z: 8 21.642 2.061 1.052 0.852 0.857 0.857 CB 1.669 8 residues pruned to eliminate duplicates Z: 12 22.192 1.989 0.808 0.899 0.909 0.455 CB 1.463 12 residues pruned to eliminate duplicates Z: 6 19.217 2.203 1.167 0.872 1.000 0.800 CB 1.313 Z: 12 23.619 2.058 0.734 0.831 1.000 0.727 CA 1.499 12 residues pruned to eliminate duplicates Z: 23 32.382 2.077 0.578 0.915 0.955 0.773 CB 1.560 Z: 58 27.969 2.133 0.481 0.412 0.860 0.456 CB 1.496 12 residues pruned to eliminate duplicates Z: 8 19.735 2.097 0.881 0.786 0.857 0.714 CA 1.715 7 residues pruned to eliminate duplicates Z: 16 31.469 2.098 0.715 0.880 1.000 0.800 CA 1.637 Z: 17 25.769 1.937 0.622 0.853 1.000 0.750 CB 1.515 17 residues pruned to eliminate duplicates Z: 15 26.281 2.082 0.449 0.921 1.000 1.000 CA 1.638 15 residues pruned to eliminate duplicates Z: 8 9.465 2.111 0.564 0.545 0.857 0.714 CB 1.210 Z: 12 31.063 2.256 0.695 0.874 1.000 1.000 CA 1.782 12 residues pruned to eliminate duplicates Z: 31 58.564 2.207 1.038 0.945 0.967 0.567 CA 1.702 31 residues pruned to eliminate duplicates Z: 10 14.110 1.892 0.285 0.754 1.000 0.667 CB 1.543 Z: 30 55.440 2.222 0.949 0.942 0.966 0.828 CA 1.707 30 residues pruned to eliminate duplicates Z: 9 25.562 2.199 0.835 0.897 1.000 0.875 CB 1.603 9 residues pruned to eliminate duplicates Z: 9 18.264 2.007 0.401 0.895 1.000 0.750 CB 1.647 10 residues pruned to eliminate duplicates Z: 11 23.760 2.157 0.525 0.824 1.000 0.800 CA 1.725 11 residues pruned to eliminate duplicates Z: 13 26.584 2.052 0.725 0.886 1.000 0.583 CB 1.563 13 residues pruned to eliminate duplicates Z: 8 12.969 2.303 0.012 0.821 1.000 0.714 CB 1.592 8 residues pruned to eliminate duplicates Z: 12 28.165 2.170 0.793 0.859 1.000 0.818 CA 1.606 12 residues pruned to eliminate duplicates Z: 10 20.690 2.365 0.170 0.900 1.000 0.889 CA 1.780 10 residues pruned to eliminate duplicates Z: 17 30.999 2.012 0.851 0.901 1.000 0.875 CB 1.485 17 residues pruned to eliminate duplicates Z: 10 9.924 1.875 0.446 0.661 0.889 0.556 CB 1.182 10 residues pruned to eliminate duplicates Z: 9 13.091 1.834 0.502 0.774 1.000 0.750 CB 1.319 9 residues pruned to eliminate duplicates Z: 13 28.173 2.198 0.732 0.849 1.000 0.583 CB 1.583 13 residues pruned to eliminate duplicates Z: 9 32.574 2.227 1.218 0.882 1.000 0.750 CA 1.688 9 residues pruned to eliminate duplicates Z: 14 11.680 1.797 0.573 0.753 0.692 0.462 CB 1.322 Z: 18 34.345 2.121 1.177 0.926 1.000 0.706 CB 1.265 18 residues pruned to eliminate duplicates Z: 16 31.330 2.076 0.918 0.905 0.933 0.733 CB 1.549 16 residues pruned to eliminate duplicates Z: 16 32.687 2.073 0.739 0.910 1.000 0.600 CB 1.661 16 residues pruned to eliminate duplicates Z: 32 54.661 2.238 0.869 0.925 1.000 0.903 CA 1.646 32 residues pruned to eliminate duplicates Z: 12 22.938 1.989 0.656 0.776 1.000 0.636 CB 1.646 11 residues pruned to eliminate duplicates Z: 13 18.552 1.850 0.806 0.793 1.000 0.833 CA 1.240 14 residues pruned to eliminate duplicates Z: 30 28.356 2.221 0.635 0.509 0.897 0.655 CB 1.603 15 residues pruned to eliminate duplicates Z: 13 19.706 2.062 0.289 0.904 1.000 0.917 CA 1.524 12 residues pruned to eliminate duplicates Z: 15 25.453 1.826 0.872 0.911 1.000 0.643 CA 1.411 15 residues pruned to eliminate duplicates Z: 26 53.440 2.288 0.914 0.911 1.000 0.800 CB 1.729 26 residues pruned to eliminate duplicates Z: 26 48.700 2.101 0.989 0.944 1.000 0.760 CA 1.614 26 residues pruned to eliminate duplicates Z: 15 24.740 2.032 0.672 0.907 0.857 0.571 CA 1.613 15 residues pruned to eliminate duplicates Z: 50 29.511 2.041 0.740 0.469 0.878 0.490 CB 1.395 26 residues pruned to eliminate duplicates Z: 9 23.057 2.112 0.942 0.856 1.000 0.750 CB 1.465 9 residues pruned to eliminate duplicates Z: 14 31.200 2.029 0.775 0.902 1.000 0.923 CB 1.715 14 residues pruned to eliminate duplicates Z: 17 18.945 1.907 0.352 0.869 0.938 0.812 CA 1.431 17 residues pruned to eliminate duplicates Z: 15 31.680 2.132 0.644 0.908 1.000 0.786 CB 1.716 15 residues pruned to eliminate duplicates Z: 9 13.307 2.112 0.480 0.644 1.000 0.750 CB 1.315 Z: 11 45.296 2.478 1.256 0.898 1.000 0.700 CB 1.834 11 residues pruned to eliminate duplicates Z: 25 53.560 2.284 1.075 0.946 0.958 0.792 CB 1.665 25 residues pruned to eliminate duplicates Z: 30 53.498 2.243 0.847 0.917 0.966 0.759 CB 1.753 30 residues pruned to eliminate duplicates Z: 11 23.253 2.360 0.483 0.786 1.000 0.800 CB 1.634 11 residues pruned to eliminate duplicates Z: 10 6.531 1.890 0.235 0.517 0.889 0.778 CB 1.031 10 residues pruned to eliminate duplicates Z: 21 31.791 2.094 0.653 0.893 0.950 0.750 CB 1.553 20 residues pruned to eliminate duplicates Z: 8 12.318 1.958 0.433 0.729 0.857 0.714 CA 1.576 8 residues pruned to eliminate duplicates Z: 12 30.446 2.218 0.781 0.883 1.000 0.818 CA 1.680 12 residues pruned to eliminate duplicates Z: 10 21.417 1.968 0.668 0.876 1.000 0.778 N 1.580 Z: 13 37.568 2.149 1.433 0.939 1.000 0.667 CB 1.442 12 residues pruned to eliminate duplicates Z: 16 27.108 2.072 0.780 0.856 0.867 0.667 CA 1.614 16 residues pruned to eliminate duplicates Z: 9 15.580 1.923 0.444 0.821 1.000 0.875 N 1.502 9 residues pruned to eliminate duplicates Z: 9 25.949 2.189 0.804 0.858 1.000 0.750 CA 1.710 9 residues pruned to eliminate duplicates Z: 16 27.941 2.093 0.507 0.897 1.000 0.800 CA 1.637 16 residues pruned to eliminate duplicates Z: 14 24.330 1.962 0.554 0.894 1.000 0.923 CA 1.587 14 residues pruned to eliminate duplicates Z: 15 35.677 2.110 0.961 0.933 1.000 0.714 CB 1.608 15 residues pruned to eliminate duplicates Z: 15 26.789 1.917 0.679 0.849 1.000 0.571 CB 1.649 15 residues pruned to eliminate duplicates Z: 12 26.130 2.199 1.386 0.868 0.818 0.545 CB 1.342 12 residues pruned to eliminate duplicates Z: 26 59.144 2.237 1.189 0.911 1.000 0.680 CA 1.711 26 residues pruned to eliminate duplicates Z: 34 31.432 2.149 0.824 0.577 0.909 0.424 CB 1.426 35 residues pruned to eliminate duplicates Z: 29 54.786 2.250 0.997 0.952 0.929 0.679 CB 1.709 29 residues pruned to eliminate duplicates Z: 7 10.581 2.101 0.361 0.707 0.833 0.667 CA 1.502 7 residues pruned to eliminate duplicates Z: 8 15.941 2.195 0.560 0.849 0.857 0.571 CB 1.522 8 residues pruned to eliminate duplicates Z: 23 27.369 2.073 0.494 0.894 0.909 0.636 CB 1.487 23 residues pruned to eliminate duplicates Z: 16 30.108 2.064 0.820 0.925 0.933 0.867 CB 1.556 16 residues pruned to eliminate duplicates Z: 21 20.073 2.219 0.696 0.280 0.950 0.450 CA 1.610 Z: 32 55.937 2.260 0.968 0.914 0.968 0.677 CB 1.651 32 residues pruned to eliminate duplicates Z: 30 58.161 2.226 1.251 0.924 0.897 0.414 CB 1.688 30 residues pruned to eliminate duplicates Z: 8 14.203 1.690 1.182 0.877 1.000 0.857 CB 1.057 7 residues pruned to eliminate duplicates Z: 12 21.918 1.978 0.665 0.860 1.000 0.727 CA 1.475 12 residues pruned to eliminate duplicates Z: 12 27.911 2.125 0.720 0.876 0.909 0.636 CA 1.840 12 residues pruned to eliminate duplicates Z: 7 9.442 2.091 0.133 0.838 1.000 0.500 CB 1.216 7 residues pruned to eliminate duplicates Z: 12 22.365 2.119 0.510 0.865 0.909 0.909 N 1.698 13 residues pruned to eliminate duplicates Z: 12 25.759 2.008 0.659 0.841 1.000 0.636 CB 1.739 12 residues pruned to eliminate duplicates Z: 8 7.711 1.994 0.675 0.341 0.714 0.571 C 1.453 Z: 17 18.940 1.838 0.455 0.849 0.938 0.750 CA 1.400 17 residues pruned to eliminate duplicates Z: 12 36.870 2.331 1.121 0.897 1.000 0.545 CA 1.610 13 residues pruned to eliminate duplicates Z: 8 4.969 1.840 0.168 0.635 0.714 0.714 CB 1.079 Z: 13 25.583 2.087 0.559 0.835 1.000 0.750 CA 1.700 13 residues pruned to eliminate duplicates Z: 8 13.323 1.967 0.627 0.634 0.857 0.857 CB 1.620 8 residues pruned to eliminate duplicates Z: 31 49.986 2.267 0.691 0.900 1.000 0.833 CB 1.701 31 residues pruned to eliminate duplicates Z: 12 42.410 2.348 1.287 0.912 1.000 0.818 CA 1.686 12 residues pruned to eliminate duplicates Z: 14 17.602 1.949 0.267 0.871 1.000 1.000 CB 1.441 Z: 14 24.539 1.940 0.746 0.903 1.000 0.462 CB 1.432 13 residues pruned to eliminate duplicates Z: 9 12.709 2.042 0.424 0.877 0.750 0.750 CA 1.495 9 residues pruned to eliminate duplicates Z: 14 22.269 2.001 0.667 0.852 0.923 0.923 CB 1.483 14 residues pruned to eliminate duplicates Z: 13 30.060 2.087 0.735 0.870 1.000 0.583 CA 1.749 13 residues pruned to eliminate duplicates Z: 14 25.471 2.026 0.650 0.850 0.923 0.692 CB 1.697 14 residues pruned to eliminate duplicates Z: 21 21.121 1.831 0.740 0.836 0.900 0.550 CB 1.233 22 residues pruned to eliminate duplicates Z: 18 19.401 1.861 0.562 0.849 0.882 0.765 CA 1.360 18 residues pruned to eliminate duplicates Z: 9 20.983 2.048 0.843 0.856 0.875 0.500 CB 1.657 9 residues pruned to eliminate duplicates Z: 16 22.162 1.942 0.586 0.905 0.867 0.733 CB 1.526 15 residues pruned to eliminate duplicates Z: 14 17.193 2.047 0.449 0.876 1.000 0.692 CB 1.169 14 residues pruned to eliminate duplicates Z: 8 13.329 1.854 0.419 0.760 1.000 0.571 CB 1.520 8 residues pruned to eliminate duplicates Z: 30 23.810 2.133 0.778 0.307 0.897 0.483 CA 1.611 21 residues pruned to eliminate duplicates Z: 15 29.099 2.131 0.629 0.897 0.929 0.857 CB 1.727 15 residues pruned to eliminate duplicates Z: 11 29.133 2.155 1.427 0.899 1.000 0.600 CB 1.259 11 residues pruned to eliminate duplicates Z: 14 25.151 1.932 0.599 0.905 1.000 0.846 CA 1.607 13 residues pruned to eliminate duplicates Z: 10 20.095 2.040 0.616 0.881 0.889 0.778 CA 1.656 10 residues pruned to eliminate duplicates Z: 11 14.701 1.895 0.198 0.853 1.000 0.800 CA 1.513 Z: 26 25.684 1.988 0.318 0.857 0.960 0.800 CA 1.505 24 residues pruned to eliminate duplicates Z: 12 25.986 2.051 0.622 0.856 1.000 0.818 CA 1.736 12 residues pruned to eliminate duplicates Z: 16 30.545 2.077 0.683 0.890 1.000 0.800 CA 1.623 16 residues pruned to eliminate duplicates Z: 19 17.830 2.015 0.503 0.525 0.944 0.722 CB 1.434 8 residues pruned to eliminate duplicates Z: 23 28.859 2.077 0.641 0.912 0.909 0.773 CB 1.406 23 residues pruned to eliminate duplicates Z: 18 25.849 2.076 0.876 0.878 0.882 0.706 CB 1.324 18 residues pruned to eliminate duplicates Z: 12 23.475 2.188 0.505 0.931 1.000 0.818 CB 1.503 12 residues pruned to eliminate duplicates Z: 14 25.228 2.028 0.662 0.913 1.000 0.846 CB 1.470 14 residues pruned to eliminate duplicates Z: 19 16.395 2.271 0.638 0.258 0.889 0.500 CB 1.541 19 residues pruned to eliminate duplicates Z: 9 10.878 1.851 0.743 0.543 0.875 0.375 CA 1.306 9 residues pruned to eliminate duplicates Z: 16 17.495 1.985 0.461 0.726 0.867 0.533 CB 1.467 19 residues pruned to eliminate duplicates Z: 25 42.021 2.263 0.706 0.941 0.958 0.875 CA 1.608 25 residues pruned to eliminate duplicates Z: 13 18.383 2.027 0.282 0.904 0.917 0.917 CB 1.587 13 residues pruned to eliminate duplicates Z: 11 19.204 2.091 0.464 0.878 1.000 0.800 CB 1.439 11 residues pruned to eliminate duplicates Z: 15 24.601 1.972 0.536 0.898 1.000 0.786 CB 1.553 15 residues pruned to eliminate duplicates Z: 50 32.942 2.091 0.723 0.504 0.918 0.490 CB 1.417 49 residues pruned to eliminate duplicates Z: 16 30.905 2.113 0.811 0.856 0.933 0.733 CA 1.648 16 residues pruned to eliminate duplicates Z: 26 26.722 2.035 0.374 0.862 0.920 0.840 CB 1.525 26 residues pruned to eliminate duplicates Z: 14 22.526 2.007 0.500 0.905 1.000 0.538 CA 1.476 14 residues pruned to eliminate duplicates Z: 16 21.730 2.031 0.520 0.824 0.867 0.867 CB 1.584 16 residues pruned to eliminate duplicates Z: 11 4.337 1.979 0.379 0.341 0.600 0.400 CB 0.996 Z: 53 33.876 1.976 0.767 0.562 0.942 0.654 CB 1.344 Z: 9 9.960 2.017 0.372 0.584 0.750 0.500 CB 1.566 9 residues pruned to eliminate duplicates Z: 11 20.823 2.005 0.557 0.915 1.000 0.900 CA 1.490 11 residues pruned to eliminate duplicates Z: 24 42.618 2.195 0.999 0.913 0.957 0.565 CB 1.498 24 residues pruned to eliminate duplicates Z: 16 29.306 2.118 0.689 0.873 0.933 0.733 CA 1.650 16 residues pruned to eliminate duplicates Z: 15 19.409 1.943 0.521 0.884 0.857 0.857 CB 1.480 Z: 7 6.157 1.704 0.170 0.813 0.833 0.667 CA 1.153 6 residues pruned to eliminate duplicates Z: 10 12.115 1.835 0.552 0.750 0.778 0.556 CA 1.459 10 residues pruned to eliminate duplicates Z: 14 20.407 1.923 0.802 0.809 0.846 0.692 CB 1.475 14 residues pruned to eliminate duplicates Z: 12 12.525 1.996 0.421 0.776 0.909 0.636 CB 1.147 12 residues pruned to eliminate duplicates Z: 12 28.472 2.163 0.656 0.918 1.000 0.545 CB 1.690 12 residues pruned to eliminate duplicates Z: 8 11.777 1.936 0.329 0.697 0.857 0.714 N 1.687 8 residues pruned to eliminate duplicates Z: 28 30.340 1.892 0.734 0.873 0.926 0.593 CB 1.400 Z: 15 21.834 1.933 0.628 0.893 0.929 0.786 CB 1.434 15 residues pruned to eliminate duplicates Z: 9 25.368 2.143 0.792 0.897 1.000 1.000 CB 1.672 10 residues pruned to eliminate duplicates Z: 20 36.663 2.209 0.866 0.917 0.947 0.684 CB 1.520 20 residues pruned to eliminate duplicates Z: 18 20.713 1.869 0.371 0.886 1.000 0.882 CA 1.415 14 residues pruned to eliminate duplicates Z: 30 64.693 2.267 1.086 0.932 1.000 0.655 CA 1.773 30 residues pruned to eliminate duplicates Z: 18 7.304 1.730 0.284 0.377 0.824 0.471 CB 1.103 Z: 17 25.038 2.091 0.440 0.893 0.938 0.938 CA 1.592 19 residues pruned to eliminate duplicates Z: 16 34.043 2.113 0.803 0.857 1.000 0.800 CA 1.701 16 residues pruned to eliminate duplicates Z: 41 34.214 2.005 0.778 0.681 0.925 0.550 CB 1.389 24 residues pruned to eliminate duplicates Z: 32 46.897 2.204 0.769 0.939 0.968 0.742 CB 1.551 32 residues pruned to eliminate duplicates Z: 12 13.074 1.922 0.266 0.684 1.000 0.636 CB 1.369 12 residues pruned to eliminate duplicates Z: 9 15.573 1.852 0.636 0.826 1.000 0.625 CA 1.371 Z: 11 25.062 2.101 0.735 0.873 1.000 0.500 CB 1.583 11 residues pruned to eliminate duplicates Z: 13 22.783 1.924 0.534 0.898 1.000 0.750 CB 1.593 Z: 11 20.857 2.018 0.551 0.921 1.000 0.800 CB 1.483 11 residues pruned to eliminate duplicates Z: 13 21.890 2.037 0.471 0.888 1.000 0.583 CB 1.520 12 residues pruned to eliminate duplicates Z: 27 26.895 2.194 0.763 0.558 0.885 0.538 CB 1.458 19 residues pruned to eliminate duplicates Z: 13 17.598 2.068 0.366 0.885 0.917 0.917 CB 1.416 13 residues pruned to eliminate duplicates Z: 18 22.055 1.881 0.467 0.854 0.941 0.882 CA 1.520 18 residues pruned to eliminate duplicates Z: 16 34.528 2.114 0.806 0.896 1.000 0.733 CA 1.673 16 residues pruned to eliminate duplicates Z: 16 18.366 1.836 0.506 0.918 0.933 0.933 CB 1.296 16 residues pruned to eliminate duplicates Z: 20 34.416 2.057 1.027 0.870 0.842 0.789 CB 1.641 21 residues pruned to eliminate duplicates Z: 54 36.038 2.194 0.686 0.445 0.906 0.528 CB 1.564 57 residues pruned to eliminate duplicates Z: 18 25.602 1.910 0.637 0.872 0.941 0.765 CB 1.538 18 residues pruned to eliminate duplicates Z: 19 23.917 1.795 0.623 0.879 1.000 0.833 CA 1.404 19 residues pruned to eliminate duplicates Z: 8 13.330 1.805 0.638 0.863 1.000 0.571 CA 1.250 8 residues pruned to eliminate duplicates Z: 23 33.194 2.092 0.740 0.894 0.955 0.773 CB 1.461 23 residues pruned to eliminate duplicates Z: 7 10.054 2.185 -0.054 0.700 1.000 0.500 CB 1.656 7 residues pruned to eliminate duplicates Z: 31 52.598 2.186 0.790 0.944 1.000 0.833 CA 1.699 31 residues pruned to eliminate duplicates Z: 12 13.613 1.877 0.277 0.890 0.909 0.818 CB 1.355 Z: 31 54.537 2.294 0.843 0.933 0.967 0.833 CA 1.700 31 residues pruned to eliminate duplicates Z: 25 25.991 2.003 0.380 0.871 0.917 0.917 CB 1.527 25 residues pruned to eliminate duplicates Z: 20 28.338 1.980 1.288 0.846 0.842 0.421 CB 1.266 20 residues pruned to eliminate duplicates Z: 30 25.968 1.860 0.328 0.894 0.966 0.759 CB 1.450 30 residues pruned to eliminate duplicates Z: 15 20.974 1.971 0.681 0.874 0.929 0.500 CB 1.327 15 residues pruned to eliminate duplicates Z: 30 60.423 2.250 1.008 0.935 1.000 0.586 CB 1.731 30 residues pruned to eliminate duplicates Z: 14 19.392 1.966 0.572 0.887 0.923 0.923 CA 1.359 14 residues pruned to eliminate duplicates Z: 11 24.323 2.007 0.755 0.917 1.000 0.900 CB 1.541 11 residues pruned to eliminate duplicates Z: 7 10.117 1.908 0.771 0.728 0.833 0.833 CB 1.195 Z: 13 16.101 1.835 0.335 0.882 1.000 0.833 CB 1.374 12 residues pruned to eliminate duplicates Z: 16 26.633 2.082 0.432 0.876 1.000 0.867 CA 1.676 16 residues pruned to eliminate duplicates Z: 9 21.550 2.194 0.514 0.868 1.000 0.875 CB 1.677 9 residues pruned to eliminate duplicates Z: 14 24.050 1.895 0.756 0.911 1.000 0.538 CB 1.421 14 residues pruned to eliminate duplicates Z: 12 10.829 1.988 0.627 0.498 0.727 0.636 CB 1.391 17 residues pruned to eliminate duplicates Z: 29 19.491 2.049 0.765 0.384 0.857 0.500 CB 1.345 28 residues pruned to eliminate duplicates Z: 7 7.470 1.901 0.023 0.544 1.000 0.833 C 1.501 Z: 31 48.494 2.267 0.799 0.908 0.967 0.600 CB 1.596 31 residues pruned to eliminate duplicates Z: 25 15.233 1.883 0.475 0.416 0.917 0.542 CB 1.333 26 residues pruned to eliminate duplicates Z: 15 20.972 2.061 0.207 0.876 1.000 0.857 CA 1.637 15 residues pruned to eliminate duplicates Z: 21 31.585 1.945 0.638 0.907 1.000 0.850 CB 1.575 Z: 11 23.586 2.184 0.734 0.871 1.000 1.000 CA 1.436 11 residues pruned to eliminate duplicates Z: 25 27.375 1.893 0.521 0.874 0.958 0.875 CB 1.475 25 residues pruned to eliminate duplicates Z: 15 17.731 2.020 0.558 0.777 0.857 0.714 CB 1.376 15 residues pruned to eliminate duplicates Z: 42 25.115 1.967 0.734 0.565 0.854 0.683 CB 1.266 42 residues pruned to eliminate duplicates Z: 15 16.784 1.856 0.297 0.897 1.000 0.929 CA 1.334 Z: 6 5.712 2.024 0.218 0.795 0.800 0.800 CB 1.000 Z: 17 23.910 2.065 0.440 0.864 0.938 0.875 CB 1.572 17 residues pruned to eliminate duplicates Z: 31 53.259 2.144 1.127 0.916 0.900 0.500 CA 1.674 31 residues pruned to eliminate duplicates Z: 16 6.590 1.817 0.176 0.276 0.867 0.400 CB 1.184 16 residues pruned to eliminate duplicates Z: 10 24.957 2.216 0.914 0.904 1.000 0.778 CB 1.397 10 residues pruned to eliminate duplicates Z: 8 13.906 2.096 0.491 0.811 0.857 0.857 CA 1.497 8 residues pruned to eliminate duplicates Z: 28 32.497 1.911 0.813 0.913 1.000 0.926 CB 1.278 19 residues pruned to eliminate duplicates Z: 10 10.041 1.989 0.474 0.482 0.889 0.778 CB 1.308 8 residues pruned to eliminate duplicates Z: 10 5.208 1.933 0.518 0.312 0.667 0.444 CB 1.093 7 residues pruned to eliminate duplicates Z: 15 21.533 1.910 0.550 0.876 1.000 0.786 CB 1.413 15 residues pruned to eliminate duplicates Z: 10 18.518 1.974 0.684 0.875 0.889 0.444 CA 1.520 10 residues pruned to eliminate duplicates Z: 24 38.333 1.998 0.883 0.893 0.957 0.739 CB 1.594 23 residues pruned to eliminate duplicates Z: 9 22.962 2.294 0.952 0.888 0.750 0.375 CB 1.741 9 residues pruned to eliminate duplicates Z: 11 17.820 1.989 0.407 0.790 1.000 0.800 CA 1.562 11 residues pruned to eliminate duplicates Z: 22 33.009 1.949 0.770 0.897 1.000 0.762 CB 1.495 22 residues pruned to eliminate duplicates Z: 31 43.424 2.230 0.693 0.933 0.967 0.733 CB 1.516 31 residues pruned to eliminate duplicates Z: 8 21.326 2.273 0.453 0.863 1.000 0.857 CA 1.791 8 residues pruned to eliminate duplicates Z: 15 13.583 2.009 0.985 0.579 0.786 0.500 CB 1.074 15 residues pruned to eliminate duplicates Z: 25 17.753 2.132 0.522 0.448 0.750 0.458 CB 1.570 25 residues pruned to eliminate duplicates Z: 16 22.742 1.885 0.580 0.874 1.000 0.667 CA 1.435 16 residues pruned to eliminate duplicates Z: 15 18.121 1.950 0.501 0.751 0.929 0.643 CB 1.424 15 residues pruned to eliminate duplicates Z: 13 26.220 2.066 0.585 0.892 1.000 0.917 CB 1.660 13 residues pruned to eliminate duplicates Z: 8 13.221 1.993 0.418 0.885 1.000 0.857 CB 1.277 8 residues pruned to eliminate duplicates Z: 9 16.265 1.930 0.465 0.880 1.000 0.875 CA 1.474 9 residues pruned to eliminate duplicates Z: 14 19.447 1.871 0.746 0.900 1.000 0.769 CB 1.180 14 residues pruned to eliminate duplicates Z: 30 27.655 1.920 0.197 0.927 1.000 0.966 CB 1.566 30 residues pruned to eliminate duplicates Z: 15 21.306 2.045 0.417 0.896 0.857 0.786 CB 1.643 15 residues pruned to eliminate duplicates Z: 20 29.126 2.020 0.715 0.880 1.000 0.895 CB 1.398 20 residues pruned to eliminate duplicates Z: 17 28.290 2.156 0.647 0.738 0.938 0.750 CA 1.715 12 residues pruned to eliminate duplicates Z: 16 23.296 1.986 0.422 0.869 1.000 0.733 CA 1.556 16 residues pruned to eliminate duplicates Z: 12 19.486 2.106 0.213 0.939 1.000 1.000 CA 1.599 12 residues pruned to eliminate duplicates Z: 16 26.159 2.119 0.684 0.854 0.867 0.800 CA 1.613 16 residues pruned to eliminate duplicates Z: 6 9.812 2.225 0.368 0.592 0.800 0.800 CA 1.650 6 residues pruned to eliminate duplicates Z: 13 22.696 1.992 0.430 0.932 1.000 1.000 CB 1.607 12 residues pruned to eliminate duplicates Z: 10 17.069 2.189 0.405 0.910 1.000 1.000 CB 1.312 10 residues pruned to eliminate duplicates Z: 9 19.041 2.070 0.739 0.869 1.000 0.625 CA 1.367 9 residues pruned to eliminate duplicates Z: 25 33.751 2.073 0.728 0.894 0.917 0.458 CB 1.504 25 residues pruned to eliminate duplicates Z: 11 19.592 1.811 0.627 0.899 1.000 0.700 CB 1.503 11 residues pruned to eliminate duplicates Z: 9 8.066 1.976 0.456 0.476 0.875 0.500 CB 1.161 Z: 21 28.725 1.937 0.492 0.926 1.000 0.750 CB 1.559 21 residues pruned to eliminate duplicates Z: 16 6.377 1.557 0.441 0.325 0.733 0.667 CB 1.213 8 residues pruned to eliminate duplicates Z: 16 26.702 1.975 0.683 0.843 1.000 0.800 CB 1.544 17 residues pruned to eliminate duplicates Z: 9 13.249 1.723 0.930 0.673 0.875 0.625 CB 1.373 8 residues pruned to eliminate duplicates Z: 9 11.886 1.902 1.061 0.646 1.000 0.750 CB 0.935 Z: 17 26.169 1.870 0.894 0.854 0.938 0.625 CB 1.455 17 residues pruned to eliminate duplicates Z: 16 26.900 2.043 0.713 0.877 0.933 0.733 CB 1.545 16 residues pruned to eliminate duplicates Z: 16 22.464 2.166 0.561 0.710 0.933 0.533 CB 1.519 16 residues pruned to eliminate duplicates Z: 8 4.675 1.689 0.023 0.743 1.000 0.857 CB 0.822 Z: 28 26.813 1.995 0.759 0.616 0.963 0.741 CB 1.368 26 residues pruned to eliminate duplicates Z: 10 7.728 1.833 0.506 0.611 0.889 0.778 CB 0.945 8 residues pruned to eliminate duplicates Z: 17 24.313 1.928 0.815 0.856 0.938 0.750 CB 1.367 17 residues pruned to eliminate duplicates Z: 12 17.192 1.939 0.389 0.874 1.000 0.636 CB 1.401 12 residues pruned to eliminate duplicates Z: 13 9.481 1.893 0.387 0.513 0.750 0.583 CB 1.372 13 residues pruned to eliminate duplicates Z: 31 51.175 2.279 0.780 0.933 1.000 0.700 CB 1.607 31 residues pruned to eliminate duplicates Z: 23 28.894 2.011 0.678 0.888 0.909 0.500 CB 1.447 23 residues pruned to eliminate duplicates Z: 15 22.432 1.952 0.441 0.924 1.000 0.857 CB 1.498 15 residues pruned to eliminate duplicates Z: 16 19.445 1.831 0.342 0.912 1.000 0.733 CB 1.447 14 residues pruned to eliminate duplicates Z: 9 14.972 1.827 0.418 0.845 1.000 0.625 CB 1.519 9 residues pruned to eliminate duplicates Z: 6 13.363 2.197 0.395 0.580 1.000 0.400 CA 1.805 6 residues pruned to eliminate duplicates Z: 31 46.082 2.252 0.816 0.914 0.900 0.667 CB 1.616 31 residues pruned to eliminate duplicates Z: 11 14.979 1.871 0.518 0.798 0.900 0.700 CB 1.428 11 residues pruned to eliminate duplicates Z: 26 54.744 2.266 1.000 0.921 1.000 0.920 CA 1.699 26 residues pruned to eliminate duplicates Z: 17 12.309 2.111 0.641 0.283 0.750 0.500 CB 1.512 17 residues pruned to eliminate duplicates Z: 17 7.125 1.764 0.561 0.513 0.812 0.625 CB 0.786 25 residues pruned to eliminate duplicates Z: 31 21.495 1.887 0.502 0.588 0.900 0.633 CB 1.414 25 residues pruned to eliminate duplicates Z: 17 22.095 2.022 0.495 0.830 0.875 0.625 CA 1.570 17 residues pruned to eliminate duplicates Z: 14 23.542 1.962 0.398 0.931 1.000 0.923 CA 1.664 14 residues pruned to eliminate duplicates Z: 29 33.404 1.962 0.621 0.901 0.964 0.750 CB 1.469 28 residues pruned to eliminate duplicates Z: 11 35.919 2.419 1.178 0.915 0.900 0.800 CB 1.692 11 residues pruned to eliminate duplicates Z: 16 24.992 1.992 0.413 0.926 1.000 1.000 CB 1.607 16 residues pruned to eliminate duplicates Z: 16 31.364 2.088 0.668 0.937 1.000 0.867 CB 1.618 16 residues pruned to eliminate duplicates Z: 15 21.417 1.922 0.682 0.896 1.000 0.857 CB 1.268 15 residues pruned to eliminate duplicates Z: 27 26.419 1.887 0.390 0.872 0.923 0.692 CB 1.560 27 residues pruned to eliminate duplicates Z: 6 9.443 1.871 0.374 0.781 0.800 0.800 CA 1.603 6 residues pruned to eliminate duplicates Z: 8 10.417 1.994 0.405 0.648 1.000 0.714 CB 1.224 8 residues pruned to eliminate duplicates Z: 8 10.005 1.464 1.277 0.891 0.857 0.714 CB 0.951 Z: 22 34.588 2.085 0.827 0.929 0.952 0.619 CB 1.456 22 residues pruned to eliminate duplicates Z: 15 24.688 2.090 0.678 0.860 0.857 0.714 CA 1.615 15 residues pruned to eliminate duplicates Z: 14 8.047 1.907 0.514 0.359 0.769 0.538 CB 1.170 11 residues pruned to eliminate duplicates Z: 30 32.348 1.890 0.619 0.924 0.931 0.655 CB 1.481 30 residues pruned to eliminate duplicates Z: 8 4.648 1.828 -0.321 0.732 1.000 1.000 CB 1.148 8 residues pruned to eliminate duplicates Z: 14 17.546 1.898 0.358 0.870 0.923 0.846 CB 1.492 14 residues pruned to eliminate duplicates Z: 12 22.771 1.979 0.750 0.897 1.000 0.909 CB 1.419 14 residues pruned to eliminate duplicates Z: 25 28.799 2.145 0.827 0.574 0.875 0.625 CA 1.596 25 residues pruned to eliminate duplicates Z: 18 23.478 1.907 0.568 0.880 0.941 0.882 CB 1.466 18 residues pruned to eliminate duplicates Z: 16 27.458 1.999 0.609 0.907 1.000 0.867 CB 1.566 16 residues pruned to eliminate duplicates Z: 32 48.427 2.213 0.919 0.936 0.903 0.613 CB 1.580 32 residues pruned to eliminate duplicates Z: 22 26.731 1.837 0.995 0.817 0.857 0.524 CB 1.409 22 residues pruned to eliminate duplicates Z: 25 29.359 2.070 0.533 0.883 0.917 0.917 CB 1.490 25 residues pruned to eliminate duplicates Z: 18 26.715 2.062 0.677 0.904 0.882 0.647 CB 1.512 18 residues pruned to eliminate duplicates Z: 33 27.728 2.076 0.647 0.553 0.938 0.656 CB 1.452 33 residues pruned to eliminate duplicates Z: 15 22.150 1.918 0.649 0.828 0.929 0.643 CA 1.517 14 residues pruned to eliminate duplicates Z: 52 23.279 1.892 0.639 0.513 0.843 0.569 CB 1.230 52 residues pruned to eliminate duplicates Z: 17 20.073 2.129 0.612 0.555 0.938 0.562 CB 1.478 17 residues pruned to eliminate duplicates Z: 26 14.839 1.888 0.469 0.451 0.920 0.480 CB 1.222 26 residues pruned to eliminate duplicates Z: 23 33.929 2.071 0.735 0.909 0.955 0.591 CB 1.497 23 residues pruned to eliminate duplicates Z: 65 42.517 2.243 0.670 0.520 0.875 0.547 CB 1.590 65 residues pruned to eliminate duplicates Z: 6 5.465 1.555 1.234 0.456 0.800 0.400 N 0.919 5 residues pruned to eliminate duplicates Z: 12 24.575 2.057 0.601 0.874 1.000 0.818 CA 1.637 18 residues pruned to eliminate duplicates Z: 9 21.650 2.050 0.637 0.853 1.000 0.625 CA 1.686 9 residues pruned to eliminate duplicates Z: 15 22.976 1.966 0.411 0.917 1.000 1.000 CB 1.563 14 residues pruned to eliminate duplicates Z: 29 31.840 1.940 0.397 0.909 1.000 0.929 CA 1.575 29 residues pruned to eliminate duplicates Z: 17 21.567 2.064 0.737 0.481 1.000 0.562 N 1.533 17 residues pruned to eliminate duplicates Z: 6 4.265 1.643 0.508 0.536 0.600 0.400 CB 1.238 6 residues pruned to eliminate duplicates Z: 14 14.264 1.805 0.613 0.617 0.923 0.692 CB 1.318 Z: 39 27.721 2.176 0.600 0.456 0.842 0.474 CB 1.605 39 residues pruned to eliminate duplicates Z: 12 10.664 1.736 0.617 0.627 0.909 0.636 CB 1.117 12 residues pruned to eliminate duplicates Z: 12 26.757 2.098 0.951 0.918 1.000 0.818 CA 1.390 11 residues pruned to eliminate duplicates Z: 10 6.798 1.838 0.410 0.479 0.667 0.667 CB 1.339 10 residues pruned to eliminate duplicates Z: 88 49.337 2.159 0.640 0.557 0.874 0.552 CB 1.618 88 residues pruned to eliminate duplicates Z: 24 34.100 2.108 0.728 0.852 1.000 0.783 CB 1.443 24 residues pruned to eliminate duplicates Z: 10 15.167 1.999 0.671 0.907 0.889 0.778 CB 1.210 10 residues pruned to eliminate duplicates Z: 19 16.728 2.022 0.591 0.507 0.889 0.722 CB 1.369 19 residues pruned to eliminate duplicates Z: 20 26.130 1.906 0.795 0.936 0.947 0.684 CB 1.288 18 residues pruned to eliminate duplicates Z: 8 25.866 2.107 1.017 0.876 1.000 0.714 CB 1.672 8 residues pruned to eliminate duplicates Z: 15 19.639 1.935 0.624 0.857 0.929 0.929 CB 1.326 15 residues pruned to eliminate duplicates Z: 7 13.219 1.883 0.505 0.824 1.000 0.833 CB 1.438 7 residues pruned to eliminate duplicates Z: 12 20.430 1.932 0.724 0.900 0.909 0.636 CB 1.454 12 residues pruned to eliminate duplicates Z: 21 32.970 2.037 0.920 0.884 0.850 0.700 CB 1.602 21 residues pruned to eliminate duplicates Z: 12 20.172 1.950 0.641 0.926 1.000 0.818 CB 1.333 12 residues pruned to eliminate duplicates Z: 15 19.080 1.917 0.460 0.837 0.929 0.786 CB 1.468 15 residues pruned to eliminate duplicates Z: 11 17.779 1.847 0.555 0.893 1.000 0.800 CB 1.405 Z: 11 5.491 1.505 0.620 0.461 0.800 0.400 CB 0.926 Z: 17 23.975 1.983 0.554 0.876 0.938 0.625 CA 1.507 17 residues pruned to eliminate duplicates Z: 16 33.699 2.056 1.036 0.866 0.933 0.667 CB 1.631 16 residues pruned to eliminate duplicates Z: 12 36.713 2.309 1.134 0.897 1.000 0.909 CA 1.608 12 residues pruned to eliminate duplicates Z: 10 10.121 2.035 0.217 0.644 0.778 0.667 CB 1.530 10 residues pruned to eliminate duplicates Z: 11 13.391 1.907 0.317 0.872 1.000 0.800 CA 1.229 10 residues pruned to eliminate duplicates Z: 9 4.579 2.062 0.008 0.353 0.750 0.375 CB 1.217 9 residues pruned to eliminate duplicates Z: 11 16.028 1.918 0.297 0.898 1.000 1.000 CA 1.458 11 residues pruned to eliminate duplicates Z: 46 17.909 1.866 0.496 0.480 0.822 0.489 CB 1.187 46 residues pruned to eliminate duplicates Z: 7 9.682 1.642 0.719 0.702 1.000 0.500 N 1.165 Z: 10 17.128 2.220 0.426 0.815 1.000 0.889 CB 1.372 10 residues pruned to eliminate duplicates Z: 22 34.942 1.981 1.020 0.943 1.000 0.524 CB 1.321 22 residues pruned to eliminate duplicates Z: 11 24.243 1.976 0.824 0.932 1.000 0.800 CB 1.485 11 residues pruned to eliminate duplicates Z: 14 20.641 2.048 0.742 0.846 0.923 0.538 CB 1.291 14 residues pruned to eliminate duplicates Z: 14 18.561 1.826 0.358 0.910 1.000 0.923 CA 1.473 14 residues pruned to eliminate duplicates Z: 12 22.565 2.011 0.811 0.930 1.000 0.909 CB 1.307 12 residues pruned to eliminate duplicates Z: 17 24.353 1.955 0.518 0.860 1.000 0.812 CB 1.509 17 residues pruned to eliminate duplicates Z: 14 24.882 1.977 0.547 0.929 1.000 0.769 CB 1.580 14 residues pruned to eliminate duplicates Z: 27 25.433 2.009 0.699 0.587 0.962 0.577 CB 1.398 27 residues pruned to eliminate duplicates Z: 29 54.124 2.285 0.816 0.945 1.000 0.964 CA 1.706 29 residues pruned to eliminate duplicates Z: 7 14.315 1.916 0.746 0.797 1.000 0.667 CA 1.347 7 residues pruned to eliminate duplicates Z: 21 14.522 1.997 0.582 0.292 0.850 0.350 CB 1.527 21 residues pruned to eliminate duplicates Z: 23 30.574 2.090 0.503 0.924 0.909 0.727 CB 1.603 23 residues pruned to eliminate duplicates Z: 22 36.654 1.985 1.074 0.843 0.905 0.524 CB 1.599 23 residues pruned to eliminate duplicates Z: 24 23.601 2.033 0.495 0.713 0.957 0.783 CB 1.395 29 residues pruned to eliminate duplicates Z: 24 27.415 2.023 0.453 0.878 0.957 0.739 CB 1.477 24 residues pruned to eliminate duplicates Z: 6 7.221 2.025 0.444 0.680 0.600 0.600 CA 1.560 6 residues pruned to eliminate duplicates Z: 9 14.981 1.905 0.609 0.832 1.000 0.625 CB 1.297 9 residues pruned to eliminate duplicates Z: 22 29.748 1.970 0.838 0.904 1.000 0.762 CB 1.278 22 residues pruned to eliminate duplicates Z: 28 27.711 2.002 0.723 0.677 0.926 0.815 CB 1.419 17 residues pruned to eliminate duplicates Z: 7 14.324 2.084 0.735 0.618 1.000 0.833 CA 1.446 7 residues pruned to eliminate duplicates Z: 11 13.444 1.866 0.629 0.827 0.900 0.600 CB 1.171 11 residues pruned to eliminate duplicates Z: 11 18.031 1.961 0.453 0.862 1.000 0.800 CB 1.469 11 residues pruned to eliminate duplicates Z: 23 30.000 1.929 0.652 0.898 0.955 0.864 CB 1.504 23 residues pruned to eliminate duplicates Z: 24 18.896 2.194 0.509 0.441 0.913 0.609 CB 1.385 24 residues pruned to eliminate duplicates Z: 15 6.695 1.881 0.078 0.427 0.786 0.643 CB 1.211 17 residues pruned to eliminate duplicates Z: 11 18.831 2.071 0.296 0.932 1.000 1.000 CA 1.549 11 residues pruned to eliminate duplicates Z: 13 28.873 2.111 0.748 0.936 1.000 0.917 CA 1.574 13 residues pruned to eliminate duplicates Z: 17 17.267 1.916 0.472 0.621 0.875 0.688 CB 1.560 17 residues pruned to eliminate duplicates Z: 7 13.966 1.824 0.865 0.819 1.000 0.667 CB 1.271 Z: 16 22.563 1.913 0.439 0.920 1.000 0.933 CB 1.491 17 residues pruned to eliminate duplicates Z: 13 17.335 1.869 0.326 0.912 1.000 1.000 CB 1.430 13 residues pruned to eliminate duplicates Z: 11 22.397 2.089 0.854 0.853 0.900 0.700 CB 1.501 11 residues pruned to eliminate duplicates Z: 14 20.935 1.897 0.781 0.895 1.000 0.692 CB 1.232 14 residues pruned to eliminate duplicates Z: 26 31.355 1.897 0.855 0.933 1.000 0.840 CB 1.244 26 residues pruned to eliminate duplicates Z: 31 46.472 2.154 0.807 0.912 1.000 0.867 CA 1.544 31 residues pruned to eliminate duplicates 6 1.956 1.553 0.223 0.482 0.600 0.600 CB 0.782 ? Z: 19 21.790 1.968 0.713 0.809 0.833 0.556 CB 1.397 19 residues pruned to eliminate duplicates Z: 28 26.690 1.875 0.743 0.850 0.963 0.778 CB 1.209 28 residues pruned to eliminate duplicates Z: 31 44.222 2.237 0.688 0.917 0.967 0.933 CA 1.561 31 residues pruned to eliminate duplicates Z: 17 26.392 1.914 0.610 0.897 1.000 0.875 CB 1.532 16 residues pruned to eliminate duplicates Z: 7 14.545 1.851 0.626 0.855 1.000 0.833 CB 1.455 7 residues pruned to eliminate duplicates Z: 24 16.272 2.027 0.502 0.421 0.739 0.435 CB 1.637 33 residues pruned to eliminate duplicates Z: 23 23.884 1.886 0.446 0.894 0.909 0.818 CB 1.472 23 residues pruned to eliminate duplicates Z: 13 29.034 2.170 1.081 0.900 1.000 0.917 CA 1.325 13 residues pruned to eliminate duplicates Z: 17 22.382 1.880 0.514 0.888 1.000 0.938 CB 1.417 17 residues pruned to eliminate duplicates Z: 8 10.023 1.834 0.417 0.588 1.000 1.000 CB 1.340 8 residues pruned to eliminate duplicates Z: 11 10.670 1.804 0.264 0.894 0.900 0.900 CB 1.180 Z: 8 4.592 1.854 0.237 0.489 0.857 0.714 CB 0.893 Z: 53 29.482 1.974 0.586 0.545 0.942 0.596 CB 1.326 53 residues pruned to eliminate duplicates Z: 24 14.354 1.742 0.697 0.551 0.957 0.261 CB 1.007 Z: 21 21.753 1.789 0.749 0.928 0.900 0.800 CB 1.209 32 residues pruned to eliminate duplicates Z: 18 13.155 1.638 0.456 0.881 0.941 0.412 CB 1.029 Z: 15 22.423 1.981 0.380 0.919 1.000 0.857 CA 1.544 15 residues pruned to eliminate duplicates Z: 11 9.087 1.998 0.350 0.341 0.900 0.600 CA 1.407 11 residues pruned to eliminate duplicates Z: 23 28.317 1.984 0.935 0.815 0.909 0.591 CB 1.315 23 residues pruned to eliminate duplicates Z: 14 24.516 1.965 0.511 0.935 1.000 0.923 CB 1.596 14 residues pruned to eliminate duplicates Z: 30 22.826 1.924 0.535 0.575 0.897 0.621 CB 1.489 25 residues pruned to eliminate duplicates Z: 17 22.183 2.008 0.372 0.831 1.000 0.938 CA 1.513 17 residues pruned to eliminate duplicates Z: 21 22.011 2.204 0.651 0.367 0.950 0.550 CA 1.641 29 residues pruned to eliminate duplicates Z: 13 23.844 2.008 0.511 0.931 1.000 0.833 CB 1.585 13 residues pruned to eliminate duplicates Z: 6 5.961 1.775 0.482 0.564 0.800 0.600 O 1.190 Z: 9 13.316 1.795 0.274 0.910 1.000 0.750 CB 1.460 9 residues pruned to eliminate duplicates Z: 19 36.194 2.075 1.015 0.907 1.000 0.889 CB 1.450 19 residues pruned to eliminate duplicates Z: 10 14.484 1.985 0.330 0.896 1.000 0.778 CB 1.311 10 residues pruned to eliminate duplicates Z: 45 27.485 1.974 0.745 0.535 0.909 0.523 CB 1.278 45 residues pruned to eliminate duplicates Z: 23 20.903 2.020 0.089 0.905 0.955 0.864 CB 1.510 23 residues pruned to eliminate duplicates Z: 7 14.699 1.656 1.126 0.861 1.000 1.000 CA 1.252 8 residues pruned to eliminate duplicates Z: 17 24.884 1.899 0.755 0.919 1.000 0.688 CB 1.315 17 residues pruned to eliminate duplicates Z: 29 21.892 2.219 0.528 0.519 0.929 0.607 CB 1.289 29 residues pruned to eliminate duplicates Z: 9 13.498 2.041 0.081 0.784 1.000 0.625 CB 1.685 9 residues pruned to eliminate duplicates Z: 16 34.344 2.106 0.981 0.848 0.933 0.533 CA 1.690 16 residues pruned to eliminate duplicates Z: 18 23.624 1.869 0.611 0.916 1.000 0.882 CB 1.344 17 residues pruned to eliminate duplicates Z: 6 14.730 2.172 0.460 0.707 1.000 1.000 CB 1.720 6 residues pruned to eliminate duplicates Z: 14 24.937 1.975 0.715 0.899 1.000 0.692 CB 1.459 14 residues pruned to eliminate duplicates Z: 13 33.964 2.053 0.929 0.938 1.000 0.833 CB 1.722 14 residues pruned to eliminate duplicates Z: 14 18.628 1.931 0.533 0.910 1.000 0.923 CB 1.238 14 residues pruned to eliminate duplicates Z: 17 21.590 1.885 0.641 0.877 0.938 0.938 CB 1.352 17 residues pruned to eliminate duplicates Z: 19 12.632 1.894 0.658 0.494 0.778 0.667 CB 1.227 19 residues pruned to eliminate duplicates Z: 20 28.921 2.297 0.827 0.531 0.947 0.579 CB 1.618 23 residues pruned to eliminate duplicates Z: 30 34.449 1.923 0.484 0.904 1.000 0.862 CA 1.596 30 residues pruned to eliminate duplicates Z: 10 7.425 1.628 0.527 0.514 0.778 0.778 CB 1.262 6 residues pruned to eliminate duplicates Z: 10 4.292 1.612 0.610 0.265 0.667 0.222 N 1.080 Z: 16 23.879 2.036 0.328 0.937 1.000 1.000 CB 1.586 16 residues pruned to eliminate duplicates Z: 16 20.861 1.875 0.530 0.857 0.933 0.333 CA 1.483 16 residues pruned to eliminate duplicates Z: 31 51.301 2.246 0.789 0.907 0.967 0.833 CA 1.714 31 residues pruned to eliminate duplicates Z: 6 8.684 1.840 0.516 0.686 1.000 0.800 CB 1.174 Z: 35 27.807 1.953 0.741 0.647 0.882 0.441 CB 1.386 22 residues pruned to eliminate duplicates Z: 21 15.086 1.948 0.586 0.480 0.800 0.550 CB 1.394 Z: 31 33.358 1.908 0.572 0.890 0.967 0.767 CB 1.512 31 residues pruned to eliminate duplicates Z: 14 24.442 1.982 0.570 0.920 1.000 0.769 CB 1.534 15 residues pruned to eliminate duplicates Z: 16 33.415 2.078 0.855 0.910 0.933 0.733 CA 1.701 16 residues pruned to eliminate duplicates Z: 23 32.195 1.969 0.785 0.931 0.955 0.727 CB 1.430 23 residues pruned to eliminate duplicates Z: 14 34.066 1.978 1.020 0.915 1.000 0.769 CB 1.671 13 residues pruned to eliminate duplicates Z: 6 3.543 1.466 0.409 0.584 0.800 0.600 CB 0.884 Z: 13 14.822 1.945 0.475 0.807 0.833 0.667 CB 1.370 13 residues pruned to eliminate duplicates 6 1.782 1.517 0.209 0.530 1.000 0.600 CB 0.422 ? Z: 9 4.103 1.442 0.675 0.288 0.750 0.500 CB 1.016 7 residues pruned to eliminate duplicates Z: 21 19.258 1.869 0.410 0.822 0.950 0.750 CB 1.301 21 residues pruned to eliminate duplicates Z: 14 24.457 2.030 0.491 0.938 1.000 0.923 CB 1.558 14 residues pruned to eliminate duplicates Z: 16 21.224 1.786 0.660 0.876 0.933 0.600 CB 1.439 15 residues pruned to eliminate duplicates Z: 32 39.591 2.209 0.605 0.939 0.935 0.548 CB 1.490 32 residues pruned to eliminate duplicates Z: 14 6.705 1.783 0.221 0.515 0.846 0.615 CB 0.994 14 residues pruned to eliminate duplicates Z: 11 11.792 1.831 0.172 0.903 1.000 1.000 CB 1.239 11 residues pruned to eliminate duplicates Z: 11 8.584 1.822 0.554 0.423 0.900 0.300 CB 1.154 11 residues pruned to eliminate duplicates Z: 12 22.342 1.971 0.716 0.926 1.000 0.909 CB 1.396 12 residues pruned to eliminate duplicates Z: 15 24.047 1.947 0.775 0.926 1.000 0.929 CB 1.305 15 residues pruned to eliminate duplicates Z: 46 32.092 2.113 0.670 0.511 0.933 0.511 CB 1.437 46 residues pruned to eliminate duplicates Z: 36 19.908 2.043 0.671 0.262 0.886 0.371 CB 1.461 36 residues pruned to eliminate duplicates Z: 12 18.659 1.883 0.630 0.847 1.000 0.818 CB 1.361 12 residues pruned to eliminate duplicates Z: 9 20.456 2.111 0.665 0.784 1.000 0.750 CB 1.603 9 residues pruned to eliminate duplicates Z: 29 33.616 1.942 0.502 0.894 1.000 0.929 CB 1.562 29 residues pruned to eliminate duplicates Z: 23 30.046 1.917 0.515 0.912 1.000 0.818 CB 1.562 23 residues pruned to eliminate duplicates Z: 18 18.527 1.750 0.580 0.866 0.941 0.824 CB 1.265 16 residues pruned to eliminate duplicates Z: 8 6.300 1.896 -0.264 0.818 1.000 0.714 CB 1.294 8 residues pruned to eliminate duplicates Z: 8 13.213 1.856 1.003 0.747 0.857 0.286 CB 1.256 8 residues pruned to eliminate duplicates Z: 6 5.669 1.504 0.445 0.725 0.800 0.800 N 1.190 Z: 13 20.244 1.801 0.672 0.907 1.000 0.917 CB 1.379 13 residues pruned to eliminate duplicates Z: 31 52.755 2.164 1.149 0.917 0.900 0.467 CB 1.624 31 residues pruned to eliminate duplicates Z: 15 22.193 1.967 0.406 0.920 1.000 1.000 CB 1.511 15 residues pruned to eliminate duplicates Z: 6 6.349 1.619 0.459 0.788 1.000 0.600 CA 0.933 12 residues pruned to eliminate duplicates Z: 6 5.158 1.669 0.617 0.476 0.600 0.400 C 1.460 6 residues pruned to eliminate duplicates Z: 55 45.329 2.168 0.928 0.679 0.944 0.519 CB 1.326 72 residues pruned to eliminate duplicates Z: 15 24.273 1.978 0.474 0.923 1.000 0.857 CB 1.563 15 residues pruned to eliminate duplicates Z: 14 6.196 1.617 0.362 0.425 0.769 0.538 CB 1.096 Z: 10 19.203 2.133 0.367 0.864 1.000 0.889 CA 1.610 11 residues pruned to eliminate duplicates Z: 15 28.975 2.074 0.749 0.886 0.929 0.786 CB 1.659 15 residues pruned to eliminate duplicates Z: 28 24.117 1.954 0.622 0.594 0.926 0.704 CB 1.446 28 residues pruned to eliminate duplicates Z: 7 7.955 1.784 0.671 0.836 0.833 0.833 CA 0.978 7 residues pruned to eliminate duplicates Z: 7 9.738 1.823 0.232 0.868 1.000 1.000 CB 1.294 7 residues pruned to eliminate duplicates Z: 32 33.423 1.955 0.782 0.726 0.903 0.516 CB 1.557 32 residues pruned to eliminate duplicates Z: 12 24.052 1.965 0.808 0.928 1.000 0.818 CB 1.430 12 residues pruned to eliminate duplicates Z: 10 13.165 1.758 0.655 0.803 0.889 0.556 CA 1.302 10 residues pruned to eliminate duplicates Z: 25 32.311 2.032 0.802 0.861 0.917 0.667 CB 1.444 25 residues pruned to eliminate duplicates Z: 11 17.314 1.903 0.853 0.829 0.900 0.600 CB 1.298 11 residues pruned to eliminate duplicates Z: 18 18.665 1.871 0.449 0.757 0.941 0.647 CB 1.412 18 residues pruned to eliminate duplicates Z: 14 19.282 1.967 0.387 0.890 1.000 0.769 CB 1.411 14 residues pruned to eliminate duplicates Z: 31 59.330 2.191 1.118 0.948 0.967 0.367 CB 1.667 32 residues pruned to eliminate duplicates Z: 15 6.265 1.794 0.478 0.284 0.714 0.429 CB 1.128 15 residues pruned to eliminate duplicates Z: 13 26.277 2.103 0.732 0.858 0.917 0.583 CA 1.673 13 residues pruned to eliminate duplicates Z: 18 17.514 1.714 0.766 0.897 1.000 0.529 CB 1.005 18 residues pruned to eliminate duplicates Z: 12 16.792 1.861 0.634 0.901 1.000 0.727 CB 1.188 11 residues pruned to eliminate duplicates Z: 32 23.823 1.932 0.430 0.638 0.935 0.645 CB 1.455 32 residues pruned to eliminate duplicates Z: 11 34.035 2.350 1.392 0.910 0.900 0.500 CB 1.509 11 residues pruned to eliminate duplicates Z: 16 31.751 2.114 0.651 0.895 1.000 0.800 CA 1.684 16 residues pruned to eliminate duplicates Z: 22 20.542 1.845 0.936 0.912 0.857 0.190 CB 1.037 22 residues pruned to eliminate duplicates Z: 11 10.936 1.729 0.266 0.899 0.900 0.800 CB 1.254 11 residues pruned to eliminate duplicates Z: 6 5.669 1.536 0.587 0.507 1.000 1.000 CB 1.033 Z: 25 31.299 1.926 0.571 0.919 1.000 0.708 CB 1.488 25 residues pruned to eliminate duplicates Z: 13 33.644 2.214 1.176 0.908 1.000 0.833 CA 1.432 13 residues pruned to eliminate duplicates Z: 16 36.260 2.087 0.855 0.923 1.000 0.933 CB 1.699 16 residues pruned to eliminate duplicates Z: 12 7.161 1.752 0.480 0.476 0.727 0.545 N 1.174 12 residues pruned to eliminate duplicates Z: 26 26.040 2.159 0.766 0.587 0.920 0.680 CB 1.366 26 residues pruned to eliminate duplicates Z: 15 23.431 2.001 0.411 0.922 1.000 0.786 CB 1.559 15 residues pruned to eliminate duplicates Z: 11 9.309 1.828 0.357 0.620 0.800 0.600 CB 1.325 11 residues pruned to eliminate duplicates Z: 15 23.582 1.819 0.869 0.900 1.000 0.929 CB 1.324 15 residues pruned to eliminate duplicates Z: 15 21.782 1.927 0.594 0.918 1.000 0.857 CB 1.336 15 residues pruned to eliminate duplicates Z: 14 18.195 1.965 0.291 0.914 1.000 0.846 CB 1.406 14 residues pruned to eliminate duplicates Z: 32 56.300 2.149 1.132 0.926 0.968 0.613 CB 1.600 32 residues pruned to eliminate duplicates Z: 23 18.853 2.034 0.022 0.861 0.955 0.864 CA 1.489 23 residues pruned to eliminate duplicates Z: 13 9.773 1.882 0.342 0.450 0.917 0.750 CB 1.282 13 residues pruned to eliminate duplicates Z: 15 16.604 1.784 0.873 0.828 0.857 0.643 CB 1.167 15 residues pruned to eliminate duplicates Z: 13 10.920 1.717 0.533 0.766 0.917 0.750 CB 1.033 13 residues pruned to eliminate duplicates Z: 9 18.778 1.971 0.675 0.843 1.000 0.875 CA 1.497 9 residues pruned to eliminate duplicates Z: 24 24.847 1.896 0.818 0.852 0.826 0.609 CB 1.346 24 residues pruned to eliminate duplicates 6 1.596 1.653 -0.146 0.297 0.600 0.400 O 1.057 ? Z: 12 12.856 1.807 0.150 0.856 1.000 0.727 CB 1.376 12 residues pruned to eliminate duplicates Z: 17 18.671 1.958 0.839 0.635 0.875 0.562 CB 1.305 17 residues pruned to eliminate duplicates Z: 9 5.474 1.444 0.230 0.543 0.875 0.625 CB 1.194 Z: 21 24.373 2.055 0.354 0.883 0.950 0.800 CB 1.491 21 residues pruned to eliminate duplicates Z: 15 16.228 1.698 0.676 0.908 0.929 0.429 CB 1.166 18 residues pruned to eliminate duplicates Z: 17 19.729 2.075 0.904 0.495 0.875 0.625 CB 1.433 17 residues pruned to eliminate duplicates Z: 17 26.825 2.329 0.858 0.409 0.938 0.438 CA 1.818 17 residues pruned to eliminate duplicates Z: 14 23.558 1.942 0.629 0.836 1.000 0.538 CB 1.547 14 residues pruned to eliminate duplicates Z: 14 22.036 2.017 0.797 0.895 0.923 0.769 CB 1.310 14 residues pruned to eliminate duplicates Z: 23 56.882 2.250 1.380 0.941 0.955 0.500 CB 1.646 23 residues pruned to eliminate duplicates Z: 6 4.314 1.377 0.491 0.558 0.800 0.600 CB 1.110 6 residues pruned to eliminate duplicates Z: 14 14.869 1.828 0.555 0.826 0.923 0.769 CB 1.185 15 residues pruned to eliminate duplicates Z: 6 2.911 1.407 0.300 0.816 1.000 0.600 N 0.541 Z: 30 28.926 1.911 0.301 0.922 0.966 0.897 CB 1.574 30 residues pruned to eliminate duplicates Z: 24 26.712 2.098 0.438 0.882 0.913 0.696 CB 1.463 24 residues pruned to eliminate duplicates Z: 13 28.259 2.104 0.789 0.925 1.000 0.917 CA 1.521 13 residues pruned to eliminate duplicates Z: 25 23.661 1.975 0.308 0.876 0.917 0.875 CB 1.482 25 residues pruned to eliminate duplicates Z: 21 26.154 2.083 0.421 0.925 0.900 0.600 CB 1.540 21 residues pruned to eliminate duplicates Z: 16 17.568 1.872 0.558 0.845 0.867 0.733 CB 1.334 16 residues pruned to eliminate duplicates Z: 11 7.120 1.541 0.546 0.728 0.800 0.500 CB 0.962 Z: 16 34.465 2.050 0.944 0.908 1.000 0.867 CA 1.586 16 residues pruned to eliminate duplicates Z: 15 30.185 2.112 0.711 0.896 0.929 0.786 CB 1.723 15 residues pruned to eliminate duplicates Z: 11 20.530 2.063 0.658 0.750 0.900 0.600 CA 1.687 11 residues pruned to eliminate duplicates Z: 12 16.470 1.997 0.416 0.929 1.000 0.909 CB 1.229 12 residues pruned to eliminate duplicates Z: 7 7.522 1.624 0.532 0.690 0.833 0.833 CA 1.244 7 residues pruned to eliminate duplicates Z: 9 5.583 1.519 0.316 0.441 1.000 0.250 CB 1.049 9 residues pruned to eliminate duplicates Z: 30 17.829 1.832 0.553 0.608 0.862 0.379 CB 1.218 23 residues pruned to eliminate duplicates Z: 34 29.881 1.939 0.815 0.679 0.879 0.515 CB 1.427 36 residues pruned to eliminate duplicates Z: 12 24.245 1.957 0.733 0.914 1.000 0.818 CB 1.525 12 residues pruned to eliminate duplicates Z: 7 2.056 1.438 0.294 0.544 0.667 0.500 CB 0.648 Z: 11 22.022 1.998 0.775 0.921 1.000 0.800 CB 1.382 11 residues pruned to eliminate duplicates Z: 14 15.828 1.870 0.260 0.880 0.923 0.846 CB 1.462 14 residues pruned to eliminate duplicates Z: 7 7.515 1.780 0.151 0.845 1.000 0.833 CB 1.114 7 residues pruned to eliminate duplicates Z: 31 15.808 1.857 0.399 0.460 0.867 0.533 CB 1.335 33 residues pruned to eliminate duplicates Z: 37 25.487 1.961 0.461 0.734 0.861 0.611 CB 1.395 37 residues pruned to eliminate duplicates Z: 13 14.880 1.894 0.152 0.850 1.000 0.917 CB 1.458 13 residues pruned to eliminate duplicates Z: 13 11.045 1.827 0.325 0.651 0.917 0.750 CA 1.248 13 residues pruned to eliminate duplicates Z: 22 9.312 1.828 0.386 0.375 0.857 0.429 CB 1.070 21 residues pruned to eliminate duplicates Z: 9 6.936 1.698 0.207 0.663 0.875 0.750 CB 1.176 9 residues pruned to eliminate duplicates Z: 7 8.262 1.546 1.053 0.830 1.000 0.833 CB 0.799 Z: 22 20.331 2.181 0.422 0.477 0.952 0.524 CB 1.537 22 residues pruned to eliminate duplicates Z: 23 26.000 1.960 0.852 0.901 0.864 0.364 CB 1.262 23 residues pruned to eliminate duplicates Z: 9 26.324 2.173 0.862 0.877 1.000 0.750 CA 1.671 9 residues pruned to eliminate duplicates Z: 6 5.459 1.848 -0.122 0.678 1.000 0.800 O 1.277 Z: 16 21.782 1.853 0.668 0.855 0.933 0.867 CB 1.439 15 residues pruned to eliminate duplicates Z: 11 13.793 1.859 0.397 0.874 1.000 0.800 CB 1.222 11 residues pruned to eliminate duplicates Z: 12 19.020 1.844 0.707 0.809 1.000 0.545 CA 1.392 12 residues pruned to eliminate duplicates Z: 29 29.001 2.137 0.616 0.604 0.893 0.536 CB 1.610 37 residues pruned to eliminate duplicates Z: 18 10.566 1.753 0.502 0.488 0.824 0.529 CB 1.196 Z: 8 7.434 1.738 0.092 0.876 1.000 0.857 CB 1.076 Z: 11 14.904 1.866 0.772 0.865 0.900 0.200 CB 1.161 11 residues pruned to eliminate duplicates Z: 24 29.696 1.946 0.891 0.887 0.913 0.435 CB 1.329 24 residues pruned to eliminate duplicates Z: 15 16.702 1.735 0.524 0.892 1.000 0.929 CA 1.213 15 residues pruned to eliminate duplicates Z: 28 27.750 1.964 0.585 0.696 1.000 0.815 CB 1.435 27 residues pruned to eliminate duplicates Z: 22 33.584 2.034 0.849 0.892 1.000 0.476 CB 1.400 22 residues pruned to eliminate duplicates Z: 25 35.055 2.078 0.940 0.753 0.875 0.625 CB 1.619 25 residues pruned to eliminate duplicates Z: 10 13.074 2.051 0.577 0.460 0.889 0.778 N 1.580 11 residues pruned to eliminate duplicates Z: 29 31.473 1.879 1.036 0.912 1.000 0.679 CB 1.101 27 residues pruned to eliminate duplicates Z: 29 26.766 2.199 0.734 0.585 0.929 0.679 CB 1.317 29 residues pruned to eliminate duplicates Z: 13 14.161 1.670 0.571 0.836 0.917 0.583 CB 1.272 12 residues pruned to eliminate duplicates Z: 41 21.975 2.134 0.399 0.412 0.850 0.350 CB 1.501 36 residues pruned to eliminate duplicates Z: 12 26.023 2.011 0.936 0.887 1.000 0.727 CB 1.453 15 residues pruned to eliminate duplicates Z: 17 9.774 1.767 0.661 0.428 0.938 0.688 CB 0.956 17 residues pruned to eliminate duplicates Z: 7 3.080 1.551 0.118 0.483 0.833 0.500 CB 0.886 7 residues pruned to eliminate duplicates Z: 9 11.578 1.760 0.166 0.904 1.000 1.000 O 1.420 9 residues pruned to eliminate duplicates Z: 27 31.119 2.027 0.790 0.707 1.000 0.769 CB 1.393 27 residues pruned to eliminate duplicates Z: 9 12.011 1.844 0.402 0.712 1.000 0.500 CB 1.355 9 residues pruned to eliminate duplicates Z: 53 30.251 1.976 0.683 0.534 0.865 0.712 CB 1.411 53 residues pruned to eliminate duplicates Z: 14 28.534 2.004 0.710 0.872 1.000 0.769 CA 1.684 14 residues pruned to eliminate duplicates Z: 7 6.669 1.702 0.531 0.783 1.000 0.833 CA 0.814 Z: 10 18.869 1.859 0.761 0.837 0.889 0.556 CA 1.616 10 residues pruned to eliminate duplicates Z: 46 39.828 2.174 0.710 0.638 0.933 0.778 CB 1.504 46 residues pruned to eliminate duplicates Z: 13 30.550 2.112 0.781 0.909 1.000 0.833 CA 1.664 22 residues pruned to eliminate duplicates Z: 42 24.048 2.106 0.526 0.439 0.829 0.317 CB 1.501 38 residues pruned to eliminate duplicates Z: 53 28.176 1.960 0.565 0.564 0.923 0.615 CB 1.297 53 residues pruned to eliminate duplicates Z: 12 8.252 1.771 0.409 0.405 0.727 0.455 CB 1.514 6 residues pruned to eliminate duplicates Z: 29 29.492 1.895 0.822 0.915 0.929 0.357 CB 1.229 29 residues pruned to eliminate duplicates Z: 31 47.002 2.115 1.127 0.922 0.933 0.533 CB 1.438 31 residues pruned to eliminate duplicates Z: 10 12.881 1.688 0.469 0.880 1.000 0.667 CB 1.254 11 residues pruned to eliminate duplicates Z: 53 25.825 1.918 0.590 0.531 0.865 0.673 CB 1.316 53 residues pruned to eliminate duplicates Z: 25 18.910 1.957 0.428 0.646 0.875 0.750 CB 1.378 25 residues pruned to eliminate duplicates Z: 12 16.425 1.914 0.323 0.899 1.000 0.818 CB 1.397 12 residues pruned to eliminate duplicates Z: 12 14.786 1.814 0.451 0.816 1.000 0.818 CB 1.287 12 residues pruned to eliminate duplicates Z: 11 8.434 1.358 0.615 0.687 0.900 0.800 CB 1.139 6 residues pruned to eliminate duplicates Z: 6 11.253 2.177 0.484 0.674 1.000 0.800 CB 1.327 6 residues pruned to eliminate duplicates Z: 15 22.517 1.990 0.563 0.925 0.929 0.571 CB 1.462 15 residues pruned to eliminate duplicates Z: 14 16.645 1.932 0.719 0.798 0.923 0.846 CB 1.160 14 residues pruned to eliminate duplicates Z: 17 22.739 1.939 0.492 0.880 1.000 0.938 CB 1.424 17 residues pruned to eliminate duplicates Z: 30 31.046 1.894 0.368 0.918 1.000 0.931 CA 1.569 30 residues pruned to eliminate duplicates Z: 6 3.546 1.574 0.575 0.545 0.800 0.600 N 0.765 Z: 6 7.130 1.788 0.036 0.818 1.000 0.800 CB 1.307 14 residues pruned to eliminate duplicates Z: 8 8.448 2.039 0.212 0.613 1.000 0.714 CB 1.161 8 residues pruned to eliminate duplicates Z: 17 24.889 1.945 0.555 0.875 1.000 0.562 CA 1.497 17 residues pruned to eliminate duplicates 6 1.991 1.672 0.855 0.495 0.600 0.600 CB 0.481 ? Z: 22 17.540 1.791 0.331 0.931 1.000 0.905 CB 1.122 22 residues pruned to eliminate duplicates Z: 16 22.994 2.015 0.567 0.837 0.933 0.733 CB 1.507 16 residues pruned to eliminate duplicates Z: 9 23.577 2.107 0.866 0.822 1.000 0.750 CB 1.605 9 residues pruned to eliminate duplicates Z: 17 19.707 1.891 0.376 0.913 1.000 0.875 CB 1.340 17 residues pruned to eliminate duplicates Z: 14 21.630 2.078 0.303 0.902 1.000 0.846 CA 1.580 14 residues pruned to eliminate duplicates Z: 23 27.085 1.934 0.673 0.894 0.864 0.636 CB 1.482 23 residues pruned to eliminate duplicates Z: 7 6.837 1.827 0.379 0.539 1.000 1.000 CB 1.066 7 residues pruned to eliminate duplicates Z: 10 5.373 1.754 0.120 0.345 0.778 0.556 CB 1.387 6 residues pruned to eliminate duplicates Z: 10 5.048 1.550 0.526 0.453 0.667 0.556 N 1.120 6 residues pruned to eliminate duplicates Z: 15 11.895 1.603 0.450 0.857 0.929 0.786 CB 1.085 Z: 13 9.193 1.657 0.503 0.661 0.833 0.333 CB 1.101 8 residues pruned to eliminate duplicates Z: 7 11.023 1.869 0.477 0.848 0.833 0.833 CB 1.452 7 residues pruned to eliminate duplicates Z: 12 6.713 1.747 0.816 0.360 0.909 0.545 CB 0.816 Z: 18 10.780 1.740 0.483 0.624 0.824 0.647 CB 1.094 18 residues pruned to eliminate duplicates Z: 10 14.981 2.051 0.596 0.466 1.000 0.667 CB 1.580 10 residues pruned to eliminate duplicates Z: 10 13.452 1.794 0.409 0.914 1.000 0.667 CB 1.254 11 residues pruned to eliminate duplicates Z: 10 20.141 2.156 0.451 0.797 1.000 0.556 CB 1.654 10 residues pruned to eliminate duplicates Z: 24 25.641 2.129 0.886 0.510 0.870 0.652 CB 1.516 20 residues pruned to eliminate duplicates Z: 20 27.069 2.040 0.921 0.888 1.000 0.789 CB 1.142 20 residues pruned to eliminate duplicates Z: 28 30.997 1.963 0.453 0.925 0.963 0.741 CB 1.524 28 residues pruned to eliminate duplicates Z: 8 10.478 1.962 0.152 0.719 0.857 0.571 O 1.678 8 residues pruned to eliminate duplicates Z: 18 21.679 1.851 0.585 0.800 1.000 0.412 CB 1.378 18 residues pruned to eliminate duplicates Z: 30 35.250 1.906 0.941 0.938 0.931 0.586 CB 1.322 30 residues pruned to eliminate duplicates Z: 29 60.444 2.165 1.180 0.946 0.964 0.464 CB 1.736 29 residues pruned to eliminate duplicates Z: 17 23.247 1.970 0.631 0.832 0.875 0.500 CB 1.552 17 residues pruned to eliminate duplicates Z: 13 10.218 1.620 0.571 0.859 0.917 0.667 CB 0.931 13 residues pruned to eliminate duplicates Z: 14 12.623 1.899 0.467 0.567 0.923 0.538 CB 1.276 14 residues pruned to eliminate duplicates Z: 16 22.839 1.881 0.574 0.892 1.000 0.800 CB 1.430 16 residues pruned to eliminate duplicates Z: 16 14.423 1.662 0.449 0.925 1.000 0.800 CB 1.085 16 residues pruned to eliminate duplicates Z: 13 17.364 1.829 0.622 0.842 0.917 0.583 CB 1.374 13 residues pruned to eliminate duplicates Z: 11 9.115 1.785 0.314 0.475 0.900 0.600 CB 1.400 11 residues pruned to eliminate duplicates Z: 13 15.988 1.803 0.505 0.844 1.000 0.750 CA 1.266 12 residues pruned to eliminate duplicates Z: 13 20.818 2.078 0.440 0.882 0.917 0.833 CB 1.586 13 residues pruned to eliminate duplicates Z: 20 13.124 1.549 0.509 0.862 0.947 0.579 CB 0.998 20 residues pruned to eliminate duplicates Z: 9 8.445 1.542 0.691 0.856 0.875 0.500 CB 0.965 9 residues pruned to eliminate duplicates Z: 14 21.691 1.911 0.642 0.871 0.923 0.769 CA 1.515 14 residues pruned to eliminate duplicates Z: 8 2.735 1.492 0.088 0.391 0.714 0.571 CA 1.000 Z: 17 16.409 1.853 0.549 0.854 0.875 0.438 CB 1.206 17 residues pruned to eliminate duplicates Z: 21 11.874 1.773 0.598 0.471 0.850 0.550 CB 1.136 21 residues pruned to eliminate duplicates Z: 48 26.175 2.091 0.706 0.483 0.872 0.489 CB 1.248 59 residues pruned to eliminate duplicates Z: 16 21.041 2.000 0.253 0.907 1.000 0.867 CA 1.541 16 residues pruned to eliminate duplicates Z: 13 22.647 2.020 0.467 0.881 1.000 0.833 CA 1.597 13 residues pruned to eliminate duplicates Z: 23 25.078 1.889 0.501 0.929 0.955 0.773 CB 1.382 23 residues pruned to eliminate duplicates Z: 6 4.930 2.003 0.016 0.309 0.800 0.000 CA 1.672 6 residues pruned to eliminate duplicates Z: 11 8.322 1.709 0.884 0.606 0.800 0.700 CB 0.924 Z: 12 9.766 1.603 0.100 0.862 1.000 0.818 CB 1.226 11 residues pruned to eliminate duplicates Z: 8 3.762 1.858 0.388 0.118 0.714 0.286 N 1.249 8 residues pruned to eliminate duplicates Z: 9 10.878 1.831 0.476 0.713 1.000 0.750 CB 1.174 Z: 19 15.654 1.864 0.473 0.653 0.833 0.556 CB 1.398 19 residues pruned to eliminate duplicates Z: 33 35.698 2.087 1.151 0.659 0.844 0.438 CB 1.438 33 residues pruned to eliminate duplicates Z: 9 4.015 1.400 0.063 0.494 1.000 0.750 CB 0.960 Z: 14 20.324 1.893 0.495 0.910 1.000 0.923 CB 1.413 14 residues pruned to eliminate duplicates Z: 10 12.737 2.019 0.007 0.929 1.000 1.000 CB 1.460 10 residues pruned to eliminate duplicates Z: 11 19.689 2.098 0.543 0.848 1.000 0.900 CB 1.426 11 residues pruned to eliminate duplicates Z: 11 16.375 2.179 0.309 0.804 0.900 0.300 CA 1.548 11 residues pruned to eliminate duplicates Z: 16 23.073 1.947 0.673 0.872 1.000 0.867 CB 1.334 16 residues pruned to eliminate duplicates Z: 12 9.204 1.752 0.476 0.443 0.818 0.545 CB 1.391 12 residues pruned to eliminate duplicates Z: 24 22.920 2.024 0.700 0.534 0.870 0.609 CB 1.545 24 residues pruned to eliminate duplicates Z: 13 20.707 1.900 0.606 0.880 1.000 0.667 CB 1.420 14 residues pruned to eliminate duplicates Z: 43 21.047 1.939 0.561 0.557 0.833 0.524 CB 1.218 43 residues pruned to eliminate duplicates Z: 23 24.184 1.911 0.680 0.881 0.909 0.455 CB 1.280 23 residues pruned to eliminate duplicates Z: 10 26.796 2.036 0.976 0.927 1.000 0.667 CA 1.556 10 residues pruned to eliminate duplicates Z: 10 17.574 2.145 0.832 0.520 0.889 0.778 CA 1.644 10 residues pruned to eliminate duplicates Z: 28 28.284 2.000 0.623 0.668 0.963 0.704 CB 1.491 26 residues pruned to eliminate duplicates Z: 14 18.467 1.860 0.597 0.888 0.923 0.923 CA 1.345 14 residues pruned to eliminate duplicates Z: 17 25.103 1.900 0.714 0.928 1.000 0.938 CB 1.350 17 residues pruned to eliminate duplicates Z: 16 28.725 2.023 0.856 0.819 0.933 0.533 CB 1.604 16 residues pruned to eliminate duplicates Z: 14 18.224 1.999 0.611 0.846 0.923 0.692 CB 1.263 14 residues pruned to eliminate duplicates Z: 25 25.265 1.962 0.342 0.874 0.958 0.833 CA 1.487 25 residues pruned to eliminate duplicates Z: 15 29.756 2.102 0.646 0.881 1.000 0.857 CA 1.664 15 residues pruned to eliminate duplicates Z: 18 25.650 2.244 0.699 0.628 0.941 0.412 CB 1.538 18 residues pruned to eliminate duplicates Z: 11 12.924 1.727 0.487 0.889 1.000 0.800 CB 1.145 11 residues pruned to eliminate duplicates Z: 8 4.462 1.568 0.295 0.439 0.714 0.571 CB 1.238 Z: 15 20.268 1.892 0.766 0.915 0.929 0.643 CB 1.235 15 residues pruned to eliminate duplicates Z: 29 30.022 1.881 0.914 0.890 0.929 0.679 CB 1.221 31 residues pruned to eliminate duplicates Z: 12 11.464 1.677 0.292 0.870 1.000 0.727 CB 1.164 12 residues pruned to eliminate duplicates Z: 12 12.593 1.951 0.261 0.898 0.909 0.818 CB 1.214 12 residues pruned to eliminate duplicates Z: 10 7.304 1.967 0.434 0.501 1.000 0.667 CB 0.862 15 residues pruned to eliminate duplicates Z: 14 25.730 1.937 0.768 0.905 1.000 0.846 CB 1.483 15 residues pruned to eliminate duplicates Z: 12 20.314 1.946 0.708 0.876 1.000 0.727 CA 1.339 11 residues pruned to eliminate duplicates Z: 13 17.340 1.905 0.531 0.911 0.917 0.583 CB 1.327 12 residues pruned to eliminate duplicates Z: 16 32.926 2.077 1.088 0.905 0.867 0.733 CA 1.610 16 residues pruned to eliminate duplicates Z: 10 19.113 2.247 0.193 0.880 1.000 0.889 CB 1.722 10 residues pruned to eliminate duplicates Z: 9 6.761 1.530 0.251 0.661 1.000 0.625 CB 1.075 9 residues pruned to eliminate duplicates Z: 29 41.651 1.931 0.918 0.916 1.000 0.643 CB 1.501 30 residues pruned to eliminate duplicates Z: 15 9.165 1.661 0.419 0.376 0.929 0.643 CB 1.278 Z: 6 6.789 1.667 0.168 0.662 1.000 0.600 N 1.342 Z: 20 27.058 1.984 0.810 0.876 0.947 0.684 CB 1.327 20 residues pruned to eliminate duplicates Z: 30 32.417 1.914 0.732 0.897 0.862 0.552 CB 1.507 30 residues pruned to eliminate duplicates Z: 8 9.360 1.794 0.320 0.864 0.857 0.857 CB 1.278 8 residues pruned to eliminate duplicates Z: 15 32.300 2.082 0.717 0.913 1.000 0.929 CB 1.709 15 residues pruned to eliminate duplicates Z: 8 15.088 1.815 0.492 0.858 1.000 0.857 CB 1.550 8 residues pruned to eliminate duplicates Z: 22 16.908 1.877 0.973 0.475 0.810 0.619 CB 1.263 22 residues pruned to eliminate duplicates Z: 13 15.932 1.777 0.655 0.824 0.833 0.500 CB 1.417 13 residues pruned to eliminate duplicates Z: 14 21.772 1.972 0.392 0.906 1.000 0.923 CB 1.565 14 residues pruned to eliminate duplicates Z: 13 21.439 1.928 0.764 0.868 0.917 0.750 N 1.452 13 residues pruned to eliminate duplicates Z: 45 26.620 1.964 0.667 0.590 0.955 0.500 CB 1.178 45 residues pruned to eliminate duplicates Z: 12 9.850 1.759 0.089 0.887 1.000 0.818 CA 1.118 12 residues pruned to eliminate duplicates Z: 8 17.563 2.023 0.795 0.847 1.000 0.571 CB 1.357 8 residues pruned to eliminate duplicates Z: 6 3.637 1.602 0.184 0.429 0.800 0.600 CB 1.154 8 1.844 1.544 -0.019 0.305 0.857 0.571 CB 0.667 ? Z: 12 22.398 1.909 0.829 0.911 1.000 0.818 CB 1.371 12 residues pruned to eliminate duplicates Z: 8 11.446 1.449 1.192 0.820 1.000 0.857 CA 1.032 8 residues pruned to eliminate duplicates Z: 8 14.987 2.068 0.570 0.777 1.000 0.571 CB 1.366 8 residues pruned to eliminate duplicates Z: 10 3.949 1.497 0.919 0.275 0.667 0.444 CB 0.887 Z: 29 21.501 1.948 0.503 0.624 0.893 0.679 CB 1.383 29 residues pruned to eliminate duplicates Z: 11 26.570 2.357 0.522 0.843 1.000 0.300 CB 1.744 11 residues pruned to eliminate duplicates Z: 24 14.930 1.741 0.482 0.463 0.913 0.522 CB 1.373 29 residues pruned to eliminate duplicates Z: 36 30.499 2.242 0.693 0.484 0.857 0.543 CB 1.610 36 residues pruned to eliminate duplicates Z: 27 25.618 1.974 0.672 0.616 0.923 0.846 CB 1.478 27 residues pruned to eliminate duplicates Z: 10 5.851 1.912 0.083 0.401 0.778 0.556 CB 1.343 10 residues pruned to eliminate duplicates Z: 18 10.246 1.895 0.370 0.377 0.824 0.706 CB 1.325 25 residues pruned to eliminate duplicates Z: 6 12.579 2.088 0.453 0.818 1.000 1.000 CB 1.406 6 residues pruned to eliminate duplicates Z: 7 8.441 1.607 0.957 0.412 1.000 0.500 CB 1.201 4 residues pruned to eliminate duplicates Z: 14 16.488 1.850 0.566 0.847 1.000 0.615 CB 1.172 15 residues pruned to eliminate duplicates Z: 15 14.848 1.904 0.485 0.842 0.857 0.571 CB 1.220 15 residues pruned to eliminate duplicates Z: 11 15.210 1.769 0.560 0.882 1.000 0.400 CB 1.261 10 residues pruned to eliminate duplicates Z: 16 8.995 1.800 0.287 0.535 0.933 0.733 CB 1.038 12 residues pruned to eliminate duplicates Z: 21 15.638 1.949 0.333 0.611 0.850 0.750 CB 1.425 21 residues pruned to eliminate duplicates Z: 16 21.070 2.020 0.596 0.828 0.800 0.667 CA 1.588 16 residues pruned to eliminate duplicates Z: 8 13.407 1.793 0.468 0.862 1.000 0.286 CB 1.414 Z: 31 43.486 2.233 0.733 0.927 0.933 0.767 CB 1.540 31 residues pruned to eliminate duplicates Z: 13 12.221 1.623 0.626 0.852 1.000 0.417 CB 0.989 14 residues pruned to eliminate duplicates Z: 13 28.334 1.999 0.864 0.876 1.000 0.167 CB 1.595 14 residues pruned to eliminate duplicates Z: 24 24.296 1.997 0.552 0.844 0.870 0.652 CB 1.399 24 residues pruned to eliminate duplicates Z: 29 37.558 1.991 0.690 0.928 0.964 0.821 CB 1.532 29 residues pruned to eliminate duplicates Z: 8 3.541 1.524 0.566 0.394 0.571 0.143 N 1.098 Z: 9 8.253 1.560 0.376 0.809 0.875 0.750 CB 1.187 9 residues pruned to eliminate duplicates Z: 8 3.578 1.626 0.360 0.506 0.571 0.429 CB 1.063 8 residues pruned to eliminate duplicates Z: 15 16.816 1.938 0.650 0.628 0.929 0.643 CB 1.341 15 residues pruned to eliminate duplicates Z: 6 4.463 1.758 0.424 0.746 0.800 0.400 CB 0.800 Z: 12 14.558 1.821 0.494 0.850 0.909 0.818 CA 1.315 15 residues pruned to eliminate duplicates Z: 23 24.930 1.869 0.533 0.884 0.955 0.909 CB 1.404 23 residues pruned to eliminate duplicates Z: 13 19.185 2.007 0.354 0.892 1.000 0.750 CB 1.464 13 residues pruned to eliminate duplicates Z: 6 4.771 1.363 0.363 0.699 1.000 0.800 CB 0.958 Z: 23 15.493 1.916 0.591 0.502 0.818 0.500 CB 1.322 23 residues pruned to eliminate duplicates Z: 28 22.856 1.769 0.780 0.899 1.000 0.704 CB 0.998 28 residues pruned to eliminate duplicates Z: 14 12.304 1.614 0.443 0.863 1.000 0.923 CB 1.076 14 residues pruned to eliminate duplicates Z: 29 25.978 2.021 0.748 0.566 0.929 0.571 CB 1.404 29 residues pruned to eliminate duplicates Z: 10 11.927 1.965 0.601 0.777 0.778 0.556 CA 1.272 10 residues pruned to eliminate duplicates Z: 7 3.743 1.636 -0.026 0.700 1.000 0.667 CB 0.799 7 residues pruned to eliminate duplicates Z: 36 22.794 1.819 0.707 0.540 0.914 0.486 CB 1.305 36 residues pruned to eliminate duplicates Z: 7 14.906 1.663 1.206 0.830 1.000 1.000 CB 1.247 25 residues pruned to eliminate duplicates Z: 34 15.781 1.750 0.489 0.490 0.818 0.515 CB 1.302 34 residues pruned to eliminate duplicates Z: 6 8.731 1.636 0.422 0.877 1.000 0.800 O 1.218 6 residues pruned to eliminate duplicates Z: 14 10.300 1.759 0.256 0.827 0.923 0.692 CB 1.055 14 residues pruned to eliminate duplicates Z: 12 13.963 1.818 0.432 0.875 0.909 0.909 CB 1.294 11 residues pruned to eliminate duplicates Z: 37 33.953 1.960 0.945 0.731 0.861 0.556 CB 1.401 37 residues pruned to eliminate duplicates Z: 27 16.773 2.059 0.705 0.346 0.808 0.423 CB 1.372 27 residues pruned to eliminate duplicates Z: 12 8.880 1.566 0.260 0.814 1.000 0.818 CB 1.033 12 residues pruned to eliminate duplicates Z: 28 29.787 2.154 0.736 0.522 0.926 0.593 CB 1.621 28 residues pruned to eliminate duplicates Z: 26 11.852 1.780 0.421 0.423 0.880 0.440 CB 1.154 33 residues pruned to eliminate duplicates Z: 7 2.226 1.356 0.086 0.411 0.833 0.667 CB 0.812 Z: 10 10.351 1.667 0.679 0.867 0.778 0.667 N 1.160 10 residues pruned to eliminate duplicates Z: 17 20.844 1.906 0.522 0.874 0.875 0.625 CB 1.494 17 residues pruned to eliminate duplicates Z: 6 10.184 1.875 0.928 0.752 1.000 0.800 CA 1.006 Z: 9 3.952 1.468 0.305 0.337 0.750 0.375 CB 1.161 7 residues pruned to eliminate duplicates Z: 7 6.304 1.692 0.538 0.532 1.000 0.667 CA 0.958 Z: 12 19.510 1.895 0.656 0.868 1.000 0.727 CA 1.369 12 residues pruned to eliminate duplicates Z: 25 20.242 1.977 0.401 0.672 0.833 0.708 CB 1.527 21 residues pruned to eliminate duplicates Z: 6 4.009 1.615 0.293 0.676 1.000 0.600 CB 0.730 Z: 15 6.815 1.566 0.376 0.367 0.786 0.571 CA 1.241 7 residues pruned to eliminate duplicates Z: 11 9.341 1.769 0.392 0.397 1.000 0.500 CB 1.337 11 residues pruned to eliminate duplicates Z: 6 9.774 1.873 0.446 0.802 1.000 0.600 CB 1.240 6 residues pruned to eliminate duplicates Z: 32 49.051 2.212 0.862 0.903 0.968 0.742 CB 1.575 35 residues pruned to eliminate duplicates Z: 8 3.724 1.820 0.133 0.324 0.714 0.714 CB 1.159 8 residues pruned to eliminate duplicates Z: 12 8.955 1.607 0.105 0.902 0.909 0.909 CB 1.193 12 residues pruned to eliminate duplicates Z: 12 8.077 1.852 0.653 0.325 0.818 0.273 CB 1.179 12 residues pruned to eliminate duplicates Z: 12 19.057 1.965 0.751 0.891 0.818 0.818 CB 1.468 12 residues pruned to eliminate duplicates Z: 22 15.416 2.107 0.712 0.225 0.905 0.381 CB 1.422 22 residues pruned to eliminate duplicates Z: 37 44.598 2.202 0.911 0.714 0.972 0.778 CB 1.496 37 residues pruned to eliminate duplicates Z: 13 9.926 1.910 0.217 0.509 1.000 0.667 CB 1.221 9 residues pruned to eliminate duplicates Z: 9 7.657 1.765 0.425 0.621 0.875 0.875 CB 1.098 9 residues pruned to eliminate duplicates Z: 31 20.762 2.060 0.868 0.410 0.767 0.433 CB 1.412 31 residues pruned to eliminate duplicates Z: 30 20.492 1.912 0.517 0.645 0.931 0.690 CB 1.231 30 residues pruned to eliminate duplicates Z: 10 3.384 1.387 0.375 0.365 0.778 0.444 CB 0.880 Z: 8 8.373 1.603 0.190 0.871 1.000 0.571 CA 1.210 7 residues pruned to eliminate duplicates Z: 6 3.075 1.236 0.836 0.295 0.800 0.600 CA 0.953 Z: 29 17.412 2.016 0.452 0.509 0.821 0.679 CB 1.356 29 residues pruned to eliminate duplicates Z: 35 40.496 2.010 0.849 0.811 1.000 0.588 CB 1.425 34 residues pruned to eliminate duplicates Z: 6 2.423 1.601 0.625 0.262 0.600 0.400 O 0.911 Z: 16 31.865 2.082 0.692 0.900 0.933 0.867 CB 1.787 16 residues pruned to eliminate duplicates Z: 10 15.318 1.948 0.447 0.829 1.000 0.444 CB 1.363 10 residues pruned to eliminate duplicates Z: 9 13.025 1.947 0.309 0.849 1.000 0.875 CB 1.339 9 residues pruned to eliminate duplicates Z: 9 25.120 2.085 0.705 0.867 1.000 0.625 O 1.828 9 residues pruned to eliminate duplicates Z: 7 7.621 1.526 0.907 0.860 1.000 0.833 CB 0.786 7 residues pruned to eliminate duplicates Z: 14 21.013 1.935 0.639 0.908 0.923 0.923 CB 1.414 14 residues pruned to eliminate duplicates Z: 7 3.913 1.712 0.249 0.396 0.667 0.667 N 1.250 7 residues pruned to eliminate duplicates Z: 11 23.266 2.020 0.702 0.923 1.000 0.700 CB 1.504 11 residues pruned to eliminate duplicates Z: 7 8.295 1.976 0.257 0.697 0.833 0.833 CB 1.367 7 residues pruned to eliminate duplicates Z: 6 7.667 1.744 0.465 0.776 0.800 0.600 CB 1.315 6 residues pruned to eliminate duplicates Z: 9 8.888 1.906 0.483 0.599 1.000 0.625 CB 1.011 9 residues pruned to eliminate duplicates Z: 8 5.693 1.724 -0.015 0.590 1.000 0.714 CB 1.162 8 residues pruned to eliminate duplicates Z: 9 7.484 1.895 0.477 0.555 0.750 0.500 CB 1.195 9 residues pruned to eliminate duplicates Z: 7 4.230 1.551 0.661 0.249 0.833 0.500 CA 1.075 7 residues pruned to eliminate duplicates Z: 8 10.000 1.662 0.350 0.782 1.000 0.429 O 1.314 8 residues pruned to eliminate duplicates Z: 7 4.615 1.756 0.517 0.817 1.000 0.833 CB 0.537 7 residues pruned to eliminate duplicates Z: 13 19.652 1.747 0.743 0.846 1.000 0.833 CB 1.385 13 residues pruned to eliminate duplicates Z: 13 21.187 2.001 0.915 0.866 1.000 0.583 CB 1.169 13 residues pruned to eliminate duplicates Z: 6 2.591 1.619 -0.011 0.587 0.800 0.400 CB 0.832 Z: 11 15.183 1.866 0.687 0.836 0.900 0.400 CB 1.269 11 residues pruned to eliminate duplicates Z: 7 16.348 1.961 1.330 0.796 0.833 0.833 N 1.353 7 residues pruned to eliminate duplicates Z: 13 13.140 1.924 0.367 0.806 0.917 0.583 CB 1.205 13 residues pruned to eliminate duplicates Z: 12 10.539 1.910 0.164 0.848 0.909 0.636 CB 1.166 12 residues pruned to eliminate duplicates Z: 9 8.730 1.478 0.413 0.815 1.000 0.625 N 1.124 9 residues pruned to eliminate duplicates Z: 30 21.928 1.936 0.507 0.626 0.897 0.483 CB 1.382 30 residues pruned to eliminate duplicates Z: 10 5.483 1.697 0.351 0.453 0.778 0.444 CB 1.076 Z: 15 23.441 1.974 0.592 0.915 0.929 0.786 CB 1.517 15 residues pruned to eliminate duplicates Z: 19 27.857 2.085 0.855 0.930 0.944 0.833 CB 1.257 19 residues pruned to eliminate duplicates Z: 7 10.154 1.807 0.303 0.744 1.000 0.667 CB 1.415 8 residues pruned to eliminate duplicates Z: 8 5.572 1.915 -0.091 0.493 1.000 0.571 CB 1.219 Z: 15 28.543 2.132 0.572 0.896 1.000 0.786 CA 1.631 15 residues pruned to eliminate duplicates Z: 18 23.808 1.987 0.539 0.895 0.941 0.588 CB 1.439 18 residues pruned to eliminate duplicates Z: 6 4.098 1.618 0.269 0.722 1.000 1.000 CB 0.731 Z: 7 3.397 1.377 0.366 0.375 0.833 0.500 O 1.011 Z: 19 8.028 1.899 0.573 0.285 0.778 0.500 CB 1.038 19 residues pruned to eliminate duplicates Z: 12 10.489 1.620 0.505 0.901 1.000 0.727 CB 0.926 11 residues pruned to eliminate duplicates Z: 17 8.509 1.818 0.645 0.274 0.750 0.375 CB 1.226 17 residues pruned to eliminate duplicates Z: 13 15.189 2.100 0.530 0.725 0.833 0.833 CA 1.337 12 residues pruned to eliminate duplicates Z: 7 5.681 1.572 0.452 0.838 0.833 0.833 CB 0.911 7 residues pruned to eliminate duplicates Z: 7 7.883 1.986 0.095 0.789 1.000 0.500 CB 1.148 7 residues pruned to eliminate duplicates Z: 11 4.151 1.774 0.137 0.371 0.800 0.400 CB 0.934 11 residues pruned to eliminate duplicates Z: 29 29.909 1.942 0.677 0.726 1.000 0.857 CB 1.415 29 residues pruned to eliminate duplicates Z: 13 12.500 1.601 0.476 0.908 1.000 0.917 CB 1.084 10 residues pruned to eliminate duplicates Z: 6 2.439 1.369 0.624 0.450 0.800 0.600 CB 0.645 Z: 36 35.233 1.959 0.767 0.786 0.971 0.571 CB 1.377 38 residues pruned to eliminate duplicates Z: 9 8.897 1.819 0.519 0.511 1.000 0.625 CB 1.126 8 residues pruned to eliminate duplicates Z: 6 8.217 1.469 0.664 0.753 1.000 0.800 CA 1.200 6 residues pruned to eliminate duplicates Z: 15 12.283 1.985 0.482 0.413 0.929 0.571 CB 1.317 15 residues pruned to eliminate duplicates Z: 18 21.692 2.010 0.595 0.787 0.941 0.824 CB 1.355 18 residues pruned to eliminate duplicates Z: 17 24.759 1.950 0.786 0.857 0.875 0.312 CB 1.497 17 residues pruned to eliminate duplicates Z: 9 4.627 1.693 0.136 0.444 1.000 0.625 CB 0.900 8 residues pruned to eliminate duplicates Z: 42 27.520 1.970 0.590 0.587 0.927 0.585 CB 1.362 34 residues pruned to eliminate duplicates Z: 12 14.473 1.918 0.269 0.826 1.000 0.818 CB 1.352 12 residues pruned to eliminate duplicates Z: 14 10.382 1.603 0.226 0.859 0.923 0.692 CB 1.167 14 residues pruned to eliminate duplicates Z: 8 22.707 2.083 0.887 0.882 1.000 0.857 CA 1.580 9 residues pruned to eliminate duplicates Z: 18 13.942 2.054 0.602 0.487 0.765 0.353 CB 1.362 18 residues pruned to eliminate duplicates Z: 18 16.106 1.751 0.511 0.676 1.000 0.706 CB 1.255 18 residues pruned to eliminate duplicates Z: 6 6.563 2.040 0.017 0.585 1.000 0.800 CB 1.303 6 residues pruned to eliminate duplicates Z: 7 6.784 1.735 -0.035 0.658 1.000 0.667 CB 1.428 7 residues pruned to eliminate duplicates Z: 7 2.965 1.297 0.283 0.560 0.667 0.667 CB 1.030 7 residues pruned to eliminate duplicates Z: 34 18.321 2.126 0.531 0.422 0.788 0.455 CB 1.348 40 residues pruned to eliminate duplicates Z: 8 4.892 1.540 0.239 0.816 0.857 0.571 CB 0.859 Z: 7 3.073 1.556 0.240 0.275 0.833 0.500 N 1.007 Z: 15 5.116 1.753 0.147 0.418 0.714 0.429 CB 1.037 15 residues pruned to eliminate duplicates Z: 7 9.047 1.749 0.356 0.818 1.000 0.833 CB 1.182 17 residues pruned to eliminate duplicates Z: 11 16.709 1.673 0.940 0.709 1.000 0.500 CB 1.347 11 residues pruned to eliminate duplicates Z: 6 3.384 1.635 1.411 0.690 0.400 0.200 CB 0.807 6 residues pruned to eliminate duplicates Z: 12 8.706 1.636 0.301 0.886 0.909 0.727 CB 0.978 12 residues pruned to eliminate duplicates Z: 8 15.648 2.020 0.657 0.832 0.857 0.857 N 1.548 8 residues pruned to eliminate duplicates Z: 13 5.484 1.681 0.300 0.425 0.750 0.583 CB 1.043 13 residues pruned to eliminate duplicates Z: 10 8.681 1.613 0.649 0.600 0.778 0.667 CB 1.271 10 residues pruned to eliminate duplicates Z: 29 34.066 1.886 0.896 0.801 0.964 0.464 CB 1.436 28 residues pruned to eliminate duplicates Z: 18 24.171 1.992 0.832 0.787 0.824 0.412 CB 1.515 18 residues pruned to eliminate duplicates Z: 29 29.045 1.895 0.904 0.912 0.964 0.786 CB 1.117 28 residues pruned to eliminate duplicates Z: 30 14.175 1.697 0.524 0.515 0.828 0.448 CB 1.211 30 residues pruned to eliminate duplicates Z: 10 3.545 1.413 0.217 0.244 0.889 0.333 CB 1.039 Z: 19 9.789 1.694 0.337 0.460 0.944 0.667 CB 1.124 22 residues pruned to eliminate duplicates Z: 8 18.501 2.083 0.582 0.854 1.000 0.714 CA 1.567 8 residues pruned to eliminate duplicates Z: 9 11.230 1.907 0.535 0.485 1.000 0.500 CB 1.377 9 residues pruned to eliminate duplicates Z: 7 15.280 1.991 0.698 0.638 1.000 0.500 CA 1.620 7 residues pruned to eliminate duplicates Z: 12 8.085 1.510 0.653 0.752 0.909 0.727 CB 0.858 12 residues pruned to eliminate duplicates Z: 13 20.143 2.001 0.360 0.897 0.917 0.833 CA 1.669 13 residues pruned to eliminate duplicates Z: 7 3.708 1.545 0.679 0.244 0.833 0.500 CB 0.941 Z: 12 18.534 2.206 0.741 0.385 1.000 0.455 CB 1.643 12 residues pruned to eliminate duplicates Z: 8 10.401 1.807 0.455 0.728 1.000 0.857 CB 1.218 8 residues pruned to eliminate duplicates Z: 9 7.151 1.630 0.488 0.474 0.875 0.500 N 1.223 9 residues pruned to eliminate duplicates Z: 23 18.340 1.923 0.599 0.525 0.909 0.591 CB 1.365 20 residues pruned to eliminate duplicates Z: 30 9.549 1.751 0.525 0.292 0.724 0.517 CB 1.158 36 residues pruned to eliminate duplicates Z: 6 2.623 1.634 -0.033 0.263 0.800 0.600 C 1.217 6 residues pruned to eliminate duplicates Z: 24 27.651 2.251 0.913 0.467 0.957 0.522 CB 1.447 24 residues pruned to eliminate duplicates Z: 13 23.125 1.876 0.741 0.819 1.000 0.667 CA 1.549 22 residues pruned to eliminate duplicates Z: 15 12.437 1.955 0.789 0.426 0.714 0.571 CB 1.437 15 residues pruned to eliminate duplicates Z: 10 10.928 1.782 0.258 0.857 0.889 0.778 CB 1.346 10 residues pruned to eliminate duplicates Z: 27 28.782 2.023 0.621 0.720 0.923 0.769 CB 1.529 28 residues pruned to eliminate duplicates Z: 17 22.104 1.955 0.702 0.854 0.938 0.688 CB 1.308 17 residues pruned to eliminate duplicates Z: 9 4.039 1.499 0.569 0.228 0.750 0.250 N 1.112 Z: 19 20.126 1.912 0.454 0.808 0.889 0.667 CB 1.467 19 residues pruned to eliminate duplicates Z: 6 5.348 1.615 0.818 0.662 0.800 0.600 CB 0.877 Z: 6 2.953 1.478 0.537 0.280 0.800 0.600 CB 0.931 Z: 41 26.839 2.050 0.774 0.531 0.825 0.400 CB 1.371 41 residues pruned to eliminate duplicates Z: 18 21.782 1.836 0.694 0.840 0.882 0.647 CA 1.437 18 residues pruned to eliminate duplicates Z: 25 52.973 2.177 1.223 0.896 0.958 0.542 CB 1.670 25 residues pruned to eliminate duplicates Z: 6 5.148 1.368 0.852 0.635 0.800 0.800 CB 1.001 Z: 13 14.886 1.864 0.561 0.648 1.000 0.667 CA 1.287 14 residues pruned to eliminate duplicates Z: 11 20.402 1.950 0.767 0.914 1.000 0.400 CB 1.324 11 residues pruned to eliminate duplicates Z: 15 16.195 2.004 0.651 0.594 0.786 0.714 CB 1.522 15 residues pruned to eliminate duplicates Z: 34 22.398 1.989 0.503 0.598 0.879 0.576 CB 1.352 34 residues pruned to eliminate duplicates Z: 9 7.090 1.458 0.751 0.453 0.875 0.250 C 1.177 9 residues pruned to eliminate duplicates Z: 21 27.034 1.935 0.684 0.723 1.000 0.800 CB 1.516 21 residues pruned to eliminate duplicates Z: 28 25.866 1.891 0.708 0.684 0.926 0.704 CB 1.406 28 residues pruned to eliminate duplicates Z: 41 25.176 1.855 0.704 0.569 0.950 0.550 CB 1.239 41 residues pruned to eliminate duplicates Z: 10 22.954 2.001 0.753 0.898 1.000 0.667 CB 1.561 10 residues pruned to eliminate duplicates Z: 8 4.038 1.462 1.054 0.262 0.714 0.286 N 0.934 8 residues pruned to eliminate duplicates Z: 26 25.643 1.907 0.544 0.906 0.920 0.920 CB 1.346 26 residues pruned to eliminate duplicates Z: 9 10.777 1.709 0.385 0.846 1.000 1.000 CB 1.196 9 residues pruned to eliminate duplicates Z: 10 9.592 1.667 0.559 0.568 0.889 0.889 CB 1.295 10 residues pruned to eliminate duplicates Z: 12 9.000 1.720 0.140 0.606 0.909 0.818 CB 1.377 12 residues pruned to eliminate duplicates Z: 41 44.741 2.095 0.896 0.860 0.925 0.500 CB 1.415 54 residues pruned to eliminate duplicates Z: 18 21.187 1.895 0.619 0.773 0.882 0.588 CB 1.491 18 residues pruned to eliminate duplicates Z: 11 12.569 1.662 0.624 0.848 1.000 0.700 CB 1.093 11 residues pruned to eliminate duplicates Z: 8 6.279 1.517 0.980 0.814 0.857 0.857 CB 0.701 8 residues pruned to eliminate duplicates Z: 13 8.425 1.603 0.402 0.769 0.833 0.833 CB 1.023 13 residues pruned to eliminate duplicates Z: 6 3.295 1.374 0.305 0.486 0.800 0.800 C 1.042 Z: 6 5.144 1.690 -0.036 0.630 1.000 0.600 CB 1.249 6 residues pruned to eliminate duplicates Z: 16 21.070 2.175 0.487 0.619 0.867 0.333 CA 1.733 16 residues pruned to eliminate duplicates Z: 11 14.379 1.881 0.559 0.608 1.000 0.600 CB 1.399 11 residues pruned to eliminate duplicates Z: 12 18.133 1.628 0.847 0.876 0.909 0.636 CA 1.454 13 residues pruned to eliminate duplicates Z: 35 36.618 2.099 0.965 0.635 0.912 0.706 CA 1.472 35 residues pruned to eliminate duplicates Z: 18 23.822 1.889 0.708 0.874 0.941 0.706 CB 1.385 17 residues pruned to eliminate duplicates Z: 15 14.050 1.869 0.549 0.520 0.857 0.714 CB 1.484 Z: 13 9.352 1.571 0.313 0.868 1.000 0.833 CB 0.957 13 residues pruned to eliminate duplicates Z: 31 39.709 2.162 1.130 0.593 0.933 0.400 CB 1.543 31 residues pruned to eliminate duplicates Z: 13 7.616 1.636 0.554 0.485 0.750 0.583 CB 1.170 13 residues pruned to eliminate duplicates Z: 6 2.654 1.566 0.964 0.298 0.600 0.400 CA 0.806 Z: 17 8.844 1.895 0.357 0.421 0.750 0.312 CB 1.244 8 residues pruned to eliminate duplicates Z: 23 25.323 1.975 0.834 0.655 0.864 0.636 CA 1.494 23 residues pruned to eliminate duplicates Z: 15 13.729 1.730 0.859 0.565 0.929 0.714 CA 1.154 15 residues pruned to eliminate duplicates Z: 8 2.490 1.455 0.196 0.317 0.857 0.429 CB 0.773 Z: 11 17.207 2.021 0.451 0.830 1.000 0.500 CB 1.395 11 residues pruned to eliminate duplicates Z: 13 14.468 1.832 0.377 0.800 1.000 0.500 CB 1.274 13 residues pruned to eliminate duplicates Z: 17 6.555 1.700 0.256 0.351 0.812 0.562 CB 1.111 15 residues pruned to eliminate duplicates Z: 9 7.145 1.406 0.562 0.857 1.000 0.750 CB 0.848 Z: 16 17.534 1.962 0.732 0.690 0.867 0.667 CB 1.292 16 residues pruned to eliminate duplicates Z: 15 8.831 1.769 0.451 0.495 0.786 0.500 CB 1.177 15 residues pruned to eliminate duplicates Z: 12 28.226 2.010 0.906 0.940 1.000 0.727 CB 1.543 13 residues pruned to eliminate duplicates Z: 6 2.675 1.591 0.074 0.706 0.800 0.600 CB 0.726 6 residues pruned to eliminate duplicates Z: 8 4.772 1.525 0.637 0.277 0.857 0.714 CB 1.086 7 residues pruned to eliminate duplicates Z: 29 27.093 1.861 0.784 0.887 0.857 0.357 CB 1.298 29 residues pruned to eliminate duplicates Z: 12 12.884 2.087 0.388 0.499 0.909 0.727 CA 1.476 12 residues pruned to eliminate duplicates Z: 11 7.742 1.402 0.297 0.801 0.900 0.800 CB 1.151 9 residues pruned to eliminate duplicates Z: 15 32.426 2.107 0.801 0.899 1.000 0.786 CA 1.633 15 residues pruned to eliminate duplicates Z: 7 4.148 1.733 -0.146 0.631 1.000 0.667 CB 1.012 Z: 12 26.616 2.305 0.972 0.883 0.818 0.364 CB 1.560 12 residues pruned to eliminate duplicates Z: 9 5.674 1.460 0.662 0.832 0.875 0.500 CB 0.709 9 residues pruned to eliminate duplicates Z: 23 13.719 1.904 0.485 0.448 0.864 0.545 CB 1.263 23 residues pruned to eliminate duplicates Z: 6 4.513 1.436 0.783 0.416 0.800 0.600 CA 1.076 Z: 7 8.221 1.526 0.720 0.809 0.833 0.500 N 1.172 7 residues pruned to eliminate duplicates Z: 25 24.752 1.933 0.909 0.908 0.958 0.458 CB 1.015 25 residues pruned to eliminate duplicates Z: 11 8.114 1.432 0.251 0.847 1.000 0.800 CB 1.063 10 residues pruned to eliminate duplicates Z: 6 5.675 1.586 0.277 0.623 1.000 0.600 CB 1.116 6 residues pruned to eliminate duplicates Z: 31 36.696 1.864 0.882 0.889 0.967 0.633 CB 1.423 31 residues pruned to eliminate duplicates Z: 13 24.723 2.056 0.522 0.864 1.000 0.500 CB 1.672 13 residues pruned to eliminate duplicates Z: 8 4.361 1.554 -0.046 0.530 0.857 0.571 CB 1.259 7 residues pruned to eliminate duplicates Z: 11 11.292 1.846 0.308 0.468 1.000 0.700 O 1.527 11 residues pruned to eliminate duplicates Z: 27 39.131 2.147 0.905 0.785 0.923 0.731 CB 1.582 27 residues pruned to eliminate duplicates Z: 7 7.685 1.710 0.520 0.713 0.833 0.500 CB 1.194 9 residues pruned to eliminate duplicates Z: 28 19.714 1.936 0.313 0.611 0.926 0.741 CB 1.451 28 residues pruned to eliminate duplicates Z: 12 7.427 1.593 0.619 0.769 0.818 0.636 CB 0.836 12 residues pruned to eliminate duplicates Z: 11 18.741 2.031 0.515 0.842 1.000 0.800 CB 1.436 11 residues pruned to eliminate duplicates Z: 12 12.545 1.894 0.430 0.576 0.818 0.727 CB 1.586 12 residues pruned to eliminate duplicates Z: 10 17.372 2.002 0.554 0.871 1.000 0.667 CB 1.357 10 residues pruned to eliminate duplicates Z: 7 4.798 1.753 0.044 0.508 1.000 0.667 CB 1.062 7 residues pruned to eliminate duplicates Z: 17 12.383 1.781 0.694 0.417 0.938 0.375 CB 1.194 15 residues pruned to eliminate duplicates Z: 11 15.550 1.747 0.819 0.806 0.900 0.800 CA 1.317 11 residues pruned to eliminate duplicates Z: 32 20.436 2.100 0.480 0.488 0.935 0.581 CB 1.278 32 residues pruned to eliminate duplicates 6 1.194 0.935 0.176 0.299 1.000 0.400 CB 0.608 ? Z: 20 9.539 1.825 0.711 0.288 0.895 0.368 CB 0.994 20 residues pruned to eliminate duplicates Z: 7 5.041 1.473 0.530 0.559 0.833 0.667 CB 1.035 Z: 24 27.688 1.854 0.471 0.910 1.000 0.957 CB 1.502 24 residues pruned to eliminate duplicates Z: 9 14.331 1.922 0.352 0.891 1.000 0.875 CB 1.402 9 residues pruned to eliminate duplicates Z: 8 8.798 1.787 0.777 0.663 0.714 0.571 CB 1.260 8 residues pruned to eliminate duplicates Z: 13 9.051 1.691 0.410 0.583 0.750 0.333 CB 1.349 4 residues pruned to eliminate duplicates Z: 11 8.972 1.743 0.544 0.380 1.000 0.700 CB 1.198 11 residues pruned to eliminate duplicates Z: 21 21.692 1.816 0.533 0.920 1.000 0.950 CB 1.227 21 residues pruned to eliminate duplicates Z: 13 5.154 1.701 0.375 0.446 0.833 0.500 CB 0.807 13 residues pruned to eliminate duplicates Z: 8 4.335 1.611 -0.022 0.774 0.714 0.571 N 1.143 8 residues pruned to eliminate duplicates Z: 13 16.231 2.000 0.667 0.573 0.917 0.583 CB 1.428 13 residues pruned to eliminate duplicates Z: 8 4.332 1.451 0.965 0.381 0.714 0.429 CB 0.912 Z: 6 9.757 1.861 0.446 0.677 1.000 0.600 CB 1.378 6 residues pruned to eliminate duplicates Z: 28 17.073 1.783 0.934 0.447 0.778 0.444 CB 1.294 30 residues pruned to eliminate duplicates Z: 8 3.329 1.291 0.669 0.548 0.714 0.429 N 0.780 Z: 6 5.929 1.748 -0.044 0.809 1.000 0.800 CB 1.212 6 residues pruned to eliminate duplicates Z: 33 31.611 2.033 0.606 0.781 0.938 0.719 CB 1.425 48 residues pruned to eliminate duplicates Z: 15 11.767 1.678 0.411 0.908 1.000 0.929 CB 0.943 15 residues pruned to eliminate duplicates Z: 8 6.112 1.533 0.618 0.475 1.000 1.000 CB 0.955 Z: 13 21.265 1.912 0.525 0.867 1.000 0.917 CB 1.541 13 residues pruned to eliminate duplicates Z: 8 12.513 2.003 0.638 0.590 1.000 0.571 CA 1.323 8 residues pruned to eliminate duplicates Z: 10 8.833 1.587 0.476 0.752 0.889 0.556 CB 1.130 10 residues pruned to eliminate duplicates Z: 10 4.042 1.564 0.023 0.380 1.000 0.444 CB 0.957 6 residues pruned to eliminate duplicates Z: 6 6.451 1.629 0.247 0.738 1.000 0.800 CB 1.147 6 residues pruned to eliminate duplicates Z: 8 4.363 1.561 0.192 0.473 0.857 0.714 CB 1.063 8 residues pruned to eliminate duplicates Z: 34 25.992 2.042 0.675 0.552 0.848 0.485 CB 1.483 34 residues pruned to eliminate duplicates Z: 28 49.631 2.262 0.999 0.898 0.926 0.630 CB 1.631 28 residues pruned to eliminate duplicates Z: 10 9.003 1.667 0.678 0.537 1.000 0.556 CB 1.035 Z: 9 24.698 2.269 0.655 0.835 1.000 0.500 CA 1.742 9 residues pruned to eliminate duplicates Z: 8 3.383 1.435 0.206 0.427 0.714 0.429 CB 1.116 Z: 9 4.833 1.564 0.387 0.425 0.750 0.375 CB 1.136 Z: 6 2.068 1.414 0.353 0.340 0.600 0.400 CB 0.959 Z: 13 9.567 1.621 0.463 0.807 0.917 0.583 CB 0.972 13 residues pruned to eliminate duplicates Z: 10 15.571 1.869 0.912 0.805 1.000 0.667 CB 1.113 10 residues pruned to eliminate duplicates Z: 14 8.395 1.570 0.354 0.796 0.923 0.462 CB 0.915 14 residues pruned to eliminate duplicates Z: 6 2.112 1.402 0.475 0.305 0.800 0.600 CB 0.709 Z: 25 29.280 2.039 0.609 0.702 1.000 0.708 CB 1.516 26 residues pruned to eliminate duplicates Z: 15 21.930 1.957 0.532 0.882 1.000 0.857 CA 1.415 15 residues pruned to eliminate duplicates Z: 7 8.655 1.703 0.102 0.873 1.000 0.833 N 1.371 7 residues pruned to eliminate duplicates 6 1.507 1.535 -0.093 0.297 0.600 0.400 CB 1.012 ? Z: 11 4.433 1.441 0.290 0.436 0.800 0.500 CA 1.007 Z: 11 4.083 1.634 0.172 0.286 0.800 0.600 CB 1.072 Z: 18 24.705 1.865 0.706 0.885 0.941 0.706 CA 1.444 18 residues pruned to eliminate duplicates Z: 13 20.960 1.911 0.430 0.915 1.000 0.917 CA 1.566 13 residues pruned to eliminate duplicates Z: 10 3.047 1.645 -0.223 0.462 0.889 0.444 CB 0.930 Z: 13 7.267 1.736 0.292 0.446 0.750 0.417 CB 1.318 13 residues pruned to eliminate duplicates Z: 7 8.521 1.589 0.356 0.802 1.000 0.833 CA 1.240 7 residues pruned to eliminate duplicates Z: 10 20.034 1.838 1.236 0.815 0.889 0.556 CB 1.390 10 residues pruned to eliminate duplicates Z: 10 4.371 1.337 0.430 0.307 0.889 0.778 O 1.063 5 residues pruned to eliminate duplicates Z: 7 2.249 1.497 -0.041 0.355 0.833 0.500 CB 0.898 Z: 8 5.264 1.646 0.406 0.358 0.857 0.286 CA 1.169 6 1.941 1.548 -0.358 0.414 0.800 0.400 CA 1.195 ? Z: 10 18.566 1.914 0.465 0.899 1.000 1.000 CB 1.578 Z: 10 2.659 1.691 0.170 0.168 0.556 0.333 N 1.207 Z: 17 6.929 1.434 0.445 0.433 0.812 0.500 CB 1.103 10 residues pruned to eliminate duplicates Z: 77 37.190 2.082 0.643 0.487 0.868 0.618 CB 1.454 77 residues pruned to eliminate duplicates Z: 15 32.938 2.189 0.856 0.905 0.929 0.714 CB 1.661 16 residues pruned to eliminate duplicates Z: 32 26.841 2.097 0.784 0.497 0.903 0.581 CB 1.430 32 residues pruned to eliminate duplicates Z: 7 4.841 1.432 0.838 0.485 0.833 0.500 CB 0.914 6 1.367 1.466 0.176 0.100 0.600 0.200 N 0.985 ? Z: 19 22.488 1.983 0.767 0.779 0.944 0.889 CA 1.252 19 residues pruned to eliminate duplicates Z: 9 2.767 1.441 -0.078 0.290 0.875 0.375 CB 1.066 Z: 9 4.440 1.535 0.070 0.681 1.000 0.625 CB 0.809 6 residues pruned to eliminate duplicates Z: 8 14.025 2.016 0.424 0.791 1.000 0.857 N 1.431 8 residues pruned to eliminate duplicates Z: 11 23.101 1.970 0.744 0.903 1.000 0.800 CB 1.516 11 residues pruned to eliminate duplicates Z: 9 8.624 1.612 0.220 0.837 0.875 0.750 CB 1.325 9 residues pruned to eliminate duplicates Z: 7 3.331 1.449 0.066 0.428 1.000 0.667 CB 0.949 Z: 13 6.449 1.564 0.487 0.492 0.917 0.583 CB 0.880 9 residues pruned to eliminate duplicates Z: 7 9.941 1.857 0.924 0.504 0.833 0.833 N 1.358 7 residues pruned to eliminate duplicates Z: 6 2.091 1.222 0.211 0.484 0.800 0.600 CB 0.803 Z: 6 4.015 1.645 0.451 0.563 0.800 0.600 CB 0.885 Z: 6 2.669 1.568 0.056 0.386 0.800 0.400 CB 1.017 Z: 11 4.967 1.529 0.140 0.469 1.000 0.500 CB 0.930 Z: 11 3.372 1.529 0.362 0.493 0.700 0.600 CB 0.737 Z: 14 25.094 1.901 0.818 0.904 0.923 0.923 CB 1.554 14 residues pruned to eliminate duplicates Z: 24 18.728 1.845 0.775 0.601 0.826 0.478 CB 1.311 24 residues pruned to eliminate duplicates Z: 47 27.641 1.833 0.460 0.656 0.935 0.739 CB 1.410 40 residues pruned to eliminate duplicates Z: 7 7.452 1.595 0.485 0.779 1.000 0.500 CB 1.004 8 residues pruned to eliminate duplicates Z: 7 12.292 1.999 0.557 0.658 1.000 0.833 CA 1.392 7 residues pruned to eliminate duplicates Z: 23 11.994 1.943 0.520 0.470 0.773 0.500 CB 1.156 23 residues pruned to eliminate duplicates Z: 24 13.972 1.841 0.620 0.550 0.783 0.522 CB 1.188 24 residues pruned to eliminate duplicates Z: 7 3.429 1.343 0.397 0.396 0.833 0.500 N 1.000 Z: 35 17.702 1.794 0.547 0.544 0.912 0.471 CB 1.149 35 residues pruned to eliminate duplicates Z: 8 10.472 2.093 0.328 0.614 0.857 0.714 CB 1.492 8 residues pruned to eliminate duplicates Z: 7 3.074 1.356 0.386 0.249 0.833 0.500 O 1.071 Z: 25 27.287 2.129 0.452 0.790 0.958 0.875 CA 1.458 25 residues pruned to eliminate duplicates Z: 12 9.499 1.834 0.302 0.475 1.000 0.545 CB 1.230 12 residues pruned to eliminate duplicates Z: 6 5.100 1.604 0.957 0.504 0.800 0.400 N 0.904 Z: 6 3.279 1.775 -0.330 0.622 1.000 0.800 CB 1.099 6 residues pruned to eliminate duplicates Z: 15 8.610 1.487 0.660 0.442 0.929 0.571 CB 1.066 15 residues pruned to eliminate duplicates Z: 7 2.154 1.461 0.409 0.431 0.667 0.333 CB 0.688 Z: 30 47.223 2.241 1.107 0.884 0.897 0.276 CB 1.497 30 residues pruned to eliminate duplicates Z: 19 15.163 1.895 0.214 0.683 0.944 0.722 CA 1.391 19 residues pruned to eliminate duplicates 7 1.656 1.038 0.599 0.275 0.833 0.333 O 0.630 ? Z: 11 8.382 1.739 0.172 0.756 1.000 0.900 CB 1.035 11 residues pruned to eliminate duplicates Z: 12 11.044 1.566 0.598 0.848 1.000 0.727 CB 0.987 12 residues pruned to eliminate duplicates Z: 12 4.105 1.609 0.110 0.339 0.909 0.455 CB 0.908 Z: 8 4.842 1.970 0.285 0.400 1.000 0.571 CB 0.803 8 residues pruned to eliminate duplicates Z: 9 2.099 1.354 0.193 0.399 0.875 0.500 CB 0.584 Z: 8 4.341 1.480 0.331 0.449 1.000 0.429 CA 0.878 8 residues pruned to eliminate duplicates Z: 29 22.802 2.121 0.642 0.364 0.964 0.464 CA 1.485 29 residues pruned to eliminate duplicates Z: 12 6.128 1.385 0.851 0.380 0.818 0.364 CB 1.001 12 residues pruned to eliminate duplicates Z: 6 8.313 1.642 0.814 0.646 1.000 1.000 CA 1.089 Z: 6 3.118 1.472 0.478 0.215 0.800 0.600 C 1.120 Z: 10 11.678 1.805 0.156 0.871 1.000 0.778 CB 1.361 10 residues pruned to eliminate duplicates 7 1.548 1.376 0.225 0.211 0.500 0.333 N 1.054 ? Z: 6 5.256 1.524 0.019 0.752 1.000 0.800 CB 1.209 6 residues pruned to eliminate duplicates Z: 27 31.094 1.891 0.976 0.921 0.962 0.615 CB 1.194 27 residues pruned to eliminate duplicates Z: 24 21.959 1.969 0.690 0.588 0.870 0.609 CB 1.454 24 residues pruned to eliminate duplicates Z: 16 17.225 1.825 1.129 0.562 0.867 0.467 CB 1.243 17 residues pruned to eliminate duplicates 6 1.325 1.125 0.167 0.341 0.800 0.400 O 0.671 ? Z: 17 18.857 1.886 0.278 0.867 1.000 0.938 CB 1.431 17 residues pruned to eliminate duplicates Z: 34 36.525 2.159 0.980 0.714 0.788 0.303 CB 1.554 34 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 14 24.246 2.007 0.428 0.928 1.000 0.923 CB 1.643 14 residues pruned to eliminate duplicates Z: 15 18.137 1.955 0.355 0.810 0.929 0.857 CB 1.504 15 residues pruned to eliminate duplicates Z: 12 24.339 2.032 0.602 0.920 1.000 0.909 CB 1.587 12 residues pruned to eliminate duplicates Z: 14 27.644 2.021 0.646 0.933 1.000 1.000 CB 1.609 14 residues pruned to eliminate duplicates Z: 14 24.960 1.981 0.514 0.910 1.000 0.769 CB 1.637 14 residues pruned to eliminate duplicates Z: 13 26.264 2.009 0.617 0.907 1.000 0.750 CB 1.658 13 residues pruned to eliminate duplicates Z: 17 19.606 1.896 0.573 0.762 0.875 0.625 CB 1.488 17 residues pruned to eliminate duplicates Z: 15 20.529 1.862 0.677 0.793 0.929 0.786 CB 1.463 15 residues pruned to eliminate duplicates Z: 15 24.294 1.978 0.658 0.912 1.000 0.786 CB 1.402 14 residues pruned to eliminate duplicates Z: 13 24.789 2.026 0.566 0.910 1.000 0.750 CB 1.600 13 residues pruned to eliminate duplicates Z: 16 20.953 1.921 0.478 0.857 0.933 0.867 CB 1.505 16 residues pruned to eliminate duplicates Z: 15 23.990 1.959 0.595 0.893 1.000 0.786 CB 1.472 15 residues pruned to eliminate duplicates Z: 30 30.957 2.230 0.901 0.528 0.897 0.552 CB 1.471 30 residues pruned to eliminate duplicates Z: 29 31.797 2.236 0.843 0.524 0.929 0.571 CB 1.533 40 residues pruned to eliminate duplicates Z: 13 23.004 2.135 0.948 0.561 0.917 0.583 CB 1.641 13 residues pruned to eliminate duplicates Z: 30 29.268 2.233 0.812 0.471 0.897 0.655 CB 1.543 28 residues pruned to eliminate duplicates Z: 9 20.306 2.236 0.511 0.862 1.000 0.875 CA 1.560 9 residues pruned to eliminate duplicates Z: 33 26.077 2.119 0.642 0.494 0.875 0.625 CB 1.523 33 residues pruned to eliminate duplicates Z: 65 53.523 2.133 0.734 0.619 0.984 0.719 CB 1.643 65 residues pruned to eliminate duplicates Z: 27 27.047 2.287 0.666 0.520 0.846 0.615 CB 1.614 27 residues pruned to eliminate duplicates Z: 29 28.947 2.234 0.662 0.533 0.893 0.643 CB 1.597 29 residues pruned to eliminate duplicates Z: 29 24.937 2.160 0.741 0.454 0.929 0.571 CB 1.414 29 residues pruned to eliminate duplicates Z: 28 28.183 2.233 0.675 0.450 0.963 0.556 CB 1.586 28 residues pruned to eliminate duplicates Z: 29 28.779 2.204 0.756 0.494 0.929 0.607 CB 1.522 29 residues pruned to eliminate duplicates Z: 28 26.866 2.225 0.704 0.504 0.852 0.630 CB 1.593 28 residues pruned to eliminate duplicates Z: 28 29.218 2.214 0.848 0.523 0.926 0.444 CB 1.450 28 residues pruned to eliminate duplicates Z: 29 19.339 2.045 0.590 0.415 0.929 0.464 CB 1.323 29 residues pruned to eliminate duplicates Z: 27 23.776 2.130 0.646 0.387 0.923 0.577 CB 1.624 27 residues pruned to eliminate duplicates Z: 38 33.758 2.151 0.834 0.501 0.892 0.514 CB 1.576 39 residues pruned to eliminate duplicates Z: 12 12.877 1.768 0.724 0.562 0.909 0.455 N 1.319 12 residues pruned to eliminate duplicates Z: 37 24.590 2.064 0.732 0.485 0.861 0.472 CB 1.352 37 residues pruned to eliminate duplicates Z: 20 18.244 2.026 0.748 0.449 0.895 0.526 CB 1.391 20 residues pruned to eliminate duplicates Z: 25 18.801 2.125 0.687 0.386 0.792 0.417 CB 1.527 25 residues pruned to eliminate duplicates Z: 30 23.696 2.142 0.818 0.497 0.828 0.448 CB 1.369 30 residues pruned to eliminate duplicates Z: 33 35.062 2.152 0.827 0.533 0.938 0.656 CB 1.627 33 residues pruned to eliminate duplicates Z: 50 38.454 2.183 0.830 0.543 0.918 0.735 CB 1.436 52 residues pruned to eliminate duplicates Z: 15 19.409 1.969 0.516 0.750 0.857 0.571 CB 1.622 15 residues pruned to eliminate duplicates Z: 34 31.201 2.114 0.768 0.531 0.909 0.485 CB 1.550 34 residues pruned to eliminate duplicates Z: 54 28.574 2.069 0.646 0.437 0.868 0.528 CB 1.418 54 residues pruned to eliminate duplicates Z: 48 26.830 2.025 0.749 0.421 0.830 0.511 CB 1.445 48 residues pruned to eliminate duplicates Z: 11 10.506 1.965 0.402 0.604 0.800 0.400 CB 1.365 11 residues pruned to eliminate duplicates Z: 25 20.792 2.068 0.570 0.587 0.875 0.750 CB 1.374 25 residues pruned to eliminate duplicates Z: 27 20.077 2.059 0.736 0.543 0.846 0.731 CB 1.249 27 residues pruned to eliminate duplicates Z: 23 15.952 1.963 0.665 0.522 0.773 0.545 CB 1.318 23 residues pruned to eliminate duplicates Z: 15 22.941 1.984 0.547 0.824 1.000 0.857 CB 1.509 15 residues pruned to eliminate duplicates Z: 40 50.638 2.248 0.825 0.782 0.949 0.769 CB 1.625 40 residues pruned to eliminate duplicates Z: 42 54.529 2.257 0.889 0.798 0.927 0.829 CA 1.661 42 residues pruned to eliminate duplicates Z: 40 56.863 2.323 0.797 0.837 0.974 0.821 CA 1.674 40 residues pruned to eliminate duplicates Z: 37 53.091 2.280 1.078 0.777 0.917 0.750 CB 1.595 37 residues pruned to eliminate duplicates Z: 7 3.936 1.604 -0.040 0.532 0.833 0.500 CB 1.213 7 residues pruned to eliminate duplicates Z: 7 2.873 1.584 0.016 0.365 0.833 0.333 CB 1.012 7 residues pruned to eliminate duplicates Z: 16 10.668 1.503 0.462 0.720 0.933 0.800 CB 1.101 19 residues pruned to eliminate duplicates Z: 30 41.422 2.271 0.516 0.919 0.966 0.897 CA 1.631 30 residues pruned to eliminate duplicates Z: 38 45.024 2.207 0.842 0.758 0.892 0.757 CB 1.623 38 residues pruned to eliminate duplicates Z: 41 58.162 2.312 0.844 0.810 0.975 0.700 CA 1.690 41 residues pruned to eliminate duplicates Z: 43 53.868 2.276 0.903 0.769 0.929 0.762 CB 1.629 43 residues pruned to eliminate duplicates Z: 42 50.085 2.276 0.734 0.790 0.976 0.780 CB 1.574 42 residues pruned to eliminate duplicates Z: 58 47.103 2.189 0.827 0.703 0.860 0.667 CB 1.508 58 residues pruned to eliminate duplicates Z: 87 59.067 2.179 0.917 0.627 0.907 0.593 CB 1.492 96 residues pruned to eliminate duplicates Z: 31 49.042 2.284 0.726 0.912 1.000 0.800 CA 1.609 31 residues pruned to eliminate duplicates Z: 33 47.800 2.251 0.784 0.822 0.969 0.812 CA 1.642 33 residues pruned to eliminate duplicates Z: 41 49.536 2.230 0.784 0.763 0.950 0.700 CB 1.642 41 residues pruned to eliminate duplicates Z: 38 42.285 2.224 0.815 0.699 0.919 0.541 CB 1.563 38 residues pruned to eliminate duplicates Z: 44 49.265 2.215 0.839 0.756 0.977 0.744 CB 1.504 44 residues pruned to eliminate duplicates Z: 32 48.468 2.229 0.793 0.854 0.968 0.677 CA 1.664 32 residues pruned to eliminate duplicates Z: 34 46.882 2.200 0.804 0.814 0.939 0.848 CB 1.666 34 residues pruned to eliminate duplicates Z: 41 63.004 2.315 1.060 0.827 1.000 0.825 CB 1.574 41 residues pruned to eliminate duplicates Z: 31 46.063 2.265 0.688 0.900 1.000 0.833 CA 1.572 31 residues pruned to eliminate duplicates Z: 42 50.012 2.252 0.739 0.807 0.976 0.659 CB 1.564 41 residues pruned to eliminate duplicates Z: 31 50.984 2.284 0.835 0.904 0.967 0.667 CB 1.636 32 residues pruned to eliminate duplicates Z: 15 30.141 2.166 0.628 0.881 0.929 0.786 CA 1.782 15 residues pruned to eliminate duplicates Z: 49 38.979 2.154 0.814 0.708 0.896 0.583 CB 1.331 49 residues pruned to eliminate duplicates Z: 53 56.907 2.225 1.050 0.760 0.942 0.596 CB 1.457 41 residues pruned to eliminate duplicates Z: 19 31.202 2.204 0.775 0.934 0.833 0.500 CB 1.573 19 residues pruned to eliminate duplicates Z: 33 33.876 2.130 0.859 0.710 0.812 0.406 CB 1.539 33 residues pruned to eliminate duplicates Z: 32 50.326 2.328 0.801 0.868 0.968 0.645 CB 1.629 32 residues pruned to eliminate duplicates Z: 36 45.156 2.175 0.946 0.765 0.914 0.543 CB 1.559 36 residues pruned to eliminate duplicates Z: 41 57.437 2.294 0.959 0.825 0.975 0.525 CB 1.565 41 residues pruned to eliminate duplicates Z: 51 48.733 2.163 1.050 0.684 0.880 0.580 CB 1.492 51 residues pruned to eliminate duplicates Z: 25 32.640 2.027 0.944 0.700 0.875 0.500 CB 1.610 25 residues pruned to eliminate duplicates Z: 42 53.880 2.225 1.176 0.817 0.927 0.561 CB 1.424 42 residues pruned to eliminate duplicates Z: 20 15.879 1.960 0.549 0.455 0.895 0.684 CB 1.405 20 residues pruned to eliminate duplicates Z: 22 17.669 1.984 0.458 0.611 0.810 0.571 CB 1.482 22 residues pruned to eliminate duplicates Z: 36 25.935 1.913 0.731 0.619 0.857 0.629 CB 1.380 36 residues pruned to eliminate duplicates Z: 25 20.886 2.003 0.450 0.641 0.875 0.583 CB 1.470 25 residues pruned to eliminate duplicates Z: 22 26.365 1.951 0.723 0.669 0.952 0.476 CB 1.537 22 residues pruned to eliminate duplicates Z: 35 24.806 1.970 0.696 0.571 0.882 0.588 CB 1.348 39 residues pruned to eliminate duplicates Z: 14 22.688 1.942 0.627 0.840 1.000 0.462 CA 1.486 14 residues pruned to eliminate duplicates Z: 24 27.411 2.040 0.822 0.601 0.913 0.565 CB 1.529 24 residues pruned to eliminate duplicates Z: 28 22.574 1.950 0.612 0.659 0.889 0.667 CB 1.342 28 residues pruned to eliminate duplicates Z: 18 29.980 2.073 0.796 0.766 0.941 0.647 CB 1.639 18 residues pruned to eliminate duplicates Z: 21 28.224 2.086 0.658 0.691 0.950 0.550 CB 1.613 21 residues pruned to eliminate duplicates Z: 22 25.749 2.021 0.723 0.642 0.857 0.524 CB 1.649 22 residues pruned to eliminate duplicates Z: 32 27.029 1.937 0.696 0.602 0.935 0.548 CB 1.434 32 residues pruned to eliminate duplicates Z: 19 23.122 2.056 0.770 0.713 0.889 0.500 CB 1.389 19 residues pruned to eliminate duplicates Z: 37 29.525 2.009 0.767 0.534 0.861 0.500 CB 1.557 83 residues pruned to eliminate duplicates Z: 19 36.576 2.167 0.945 0.893 0.889 0.611 CB 1.652 19 residues pruned to eliminate duplicates Z: 43 30.466 1.925 0.651 0.664 0.881 0.571 CB 1.443 43 residues pruned to eliminate duplicates Z: 48 31.663 1.967 0.707 0.580 0.915 0.404 CB 1.392 48 residues pruned to eliminate duplicates Z: 26 19.535 1.944 0.681 0.560 0.760 0.400 CB 1.484 26 residues pruned to eliminate duplicates Z: 41 21.928 1.953 0.597 0.459 0.875 0.600 CB 1.324 14 residues pruned to eliminate duplicates Z: 8 12.013 1.972 0.419 0.842 0.857 0.571 CB 1.411 8 residues pruned to eliminate duplicates Z: 26 20.197 2.033 0.872 0.543 0.840 0.440 CB 1.211 26 residues pruned to eliminate duplicates Z: 52 39.972 2.123 0.708 0.663 0.882 0.686 CB 1.504 52 residues pruned to eliminate duplicates Z: 12 14.777 1.946 0.973 0.515 0.909 0.727 N 1.257 12 residues pruned to eliminate duplicates Z: 16 13.371 2.039 0.908 0.574 0.867 0.667 CB 0.953 16 residues pruned to eliminate duplicates Z: 7 8.146 1.847 0.515 0.639 0.833 0.500 N 1.252 7 residues pruned to eliminate duplicates Z: 10 10.886 2.243 0.701 0.490 0.778 0.556 CB 1.236 10 residues pruned to eliminate duplicates Z: 16 12.628 2.079 0.745 0.565 0.867 0.667 CB 0.974 15 residues pruned to eliminate duplicates Z: 10 15.121 2.202 0.945 0.589 0.889 0.778 CB 1.216 10 residues pruned to eliminate duplicates Z: 17 15.163 2.040 0.840 0.543 0.812 0.625 CB 1.192 17 residues pruned to eliminate duplicates Z: 16 14.348 2.044 0.738 0.554 0.867 0.667 CB 1.141 16 residues pruned to eliminate duplicates Z: 6 5.294 1.535 0.994 0.473 0.800 0.600 CB 0.993 6 residues pruned to eliminate duplicates Z: 12 7.725 1.915 0.624 0.378 0.727 0.545 CB 1.172 13 residues pruned to eliminate duplicates Z: 6 6.881 1.417 0.761 0.616 1.000 0.800 N 1.105 6 residues pruned to eliminate duplicates Z: 12 10.071 1.889 0.585 0.422 0.909 0.545 CB 1.210 13 residues pruned to eliminate duplicates Z: 6 4.848 1.914 0.451 0.280 1.000 0.600 CB 1.002 6 residues pruned to eliminate duplicates Z: 8 11.143 2.064 0.707 0.568 1.000 0.714 CB 1.120 8 residues pruned to eliminate duplicates Z: 17 6.336 1.738 0.536 0.286 0.812 0.625 CB 0.929 17 residues pruned to eliminate duplicates Z: 13 19.928 2.228 0.761 0.504 0.917 0.583 CA 1.594 13 residues pruned to eliminate duplicates Z: 29 26.265 2.219 0.643 0.555 0.964 0.714 CB 1.339 29 residues pruned to eliminate duplicates Z: 33 23.298 2.124 0.750 0.468 0.875 0.500 CB 1.308 33 residues pruned to eliminate duplicates Z: 27 18.190 2.143 0.726 0.401 0.808 0.538 CB 1.326 27 residues pruned to eliminate duplicates Z: 37 27.558 2.111 0.837 0.526 0.833 0.583 CB 1.385 37 residues pruned to eliminate duplicates Z: 10 25.931 2.167 0.745 0.775 1.000 0.667 CA 1.792 10 residues pruned to eliminate duplicates Z: 26 26.498 2.302 0.620 0.522 0.920 0.680 CB 1.513 26 residues pruned to eliminate duplicates Z: 29 27.753 2.166 0.668 0.533 0.964 0.679 CB 1.457 29 residues pruned to eliminate duplicates Z: 20 23.703 2.289 0.656 0.459 0.895 0.579 CB 1.671 20 residues pruned to eliminate duplicates Z: 28 26.619 2.134 0.745 0.558 0.926 0.667 CB 1.405 28 residues pruned to eliminate duplicates Z: 26 28.475 2.287 0.721 0.567 0.960 0.720 CB 1.413 26 residues pruned to eliminate duplicates Z: 27 25.869 2.215 0.766 0.504 0.885 0.615 CB 1.459 27 residues pruned to eliminate duplicates Z: 27 29.933 2.238 0.703 0.546 0.962 0.692 CB 1.531 27 residues pruned to eliminate duplicates Z: 27 27.878 2.230 0.690 0.564 0.885 0.654 CB 1.542 27 residues pruned to eliminate duplicates Z: 27 26.933 2.199 0.703 0.581 0.885 0.615 CB 1.475 27 residues pruned to eliminate duplicates Z: 28 29.126 2.249 0.655 0.564 0.926 0.778 CB 1.528 28 residues pruned to eliminate duplicates Z: 24 16.247 2.036 0.691 0.386 0.870 0.565 CB 1.277 24 residues pruned to eliminate duplicates Z: 26 30.994 2.249 0.879 0.537 0.960 0.760 CB 1.474 26 residues pruned to eliminate duplicates Z: 28 28.842 2.219 0.869 0.516 0.926 0.593 CB 1.423 28 residues pruned to eliminate duplicates Z: 26 17.052 2.050 0.638 0.475 0.760 0.600 CB 1.370 26 residues pruned to eliminate duplicates Z: 15 11.076 2.079 0.555 0.584 0.786 0.643 CB 1.076 15 residues pruned to eliminate duplicates Z: 27 28.659 2.214 0.792 0.595 0.923 0.654 CB 1.401 27 residues pruned to eliminate duplicates Z: 27 26.860 2.137 0.871 0.584 0.923 0.577 CB 1.317 27 residues pruned to eliminate duplicates Z: 17 16.854 2.114 0.657 0.499 0.938 0.688 CB 1.284 17 residues pruned to eliminate duplicates Z: 6 3.130 1.744 -0.064 0.450 1.000 0.000 CB 0.903 6 residues pruned to eliminate duplicates Z: 27 23.387 2.143 0.724 0.464 0.885 0.538 CB 1.455 27 residues pruned to eliminate duplicates Z: 6 6.008 1.675 0.408 0.670 0.800 0.600 CA 1.217 6 residues pruned to eliminate duplicates Z: 18 18.793 1.946 0.849 0.585 0.882 0.647 CB 1.322 18 residues pruned to eliminate duplicates Z: 17 22.266 1.936 0.411 0.793 1.000 0.688 CB 1.577 14 residues pruned to eliminate duplicates Z: 17 19.629 1.905 0.378 0.819 1.000 0.875 CB 1.417 17 residues pruned to eliminate duplicates Z: 14 20.213 2.039 0.466 0.928 1.000 0.538 CB 1.314 14 residues pruned to eliminate duplicates Z: 17 15.834 1.911 0.392 0.798 0.875 0.625 CB 1.310 17 residues pruned to eliminate duplicates Z: 17 18.030 1.910 0.493 0.773 0.875 0.500 CB 1.419 17 residues pruned to eliminate duplicates Z: 12 14.954 1.853 0.436 0.775 0.909 0.727 CB 1.463 12 residues pruned to eliminate duplicates Z: 55 39.227 1.945 0.745 0.716 0.926 0.556 CB 1.397 54 residues pruned to eliminate duplicates Z: 16 16.640 1.846 0.203 0.910 0.933 0.733 CB 1.470 16 residues pruned to eliminate duplicates Z: 16 15.813 2.015 0.097 0.786 0.933 0.733 CB 1.538 16 residues pruned to eliminate duplicates Z: 17 18.165 1.970 0.213 0.801 0.938 0.812 CB 1.558 17 residues pruned to eliminate duplicates Z: 17 16.821 2.000 0.264 0.753 0.938 0.688 CB 1.416 17 residues pruned to eliminate duplicates Z: 15 20.370 2.046 0.304 0.858 1.000 1.000 CB 1.503 15 residues pruned to eliminate duplicates Z: 17 20.620 1.968 0.353 0.750 1.000 0.875 CB 1.549 17 residues pruned to eliminate duplicates Z: 16 22.120 1.892 0.572 0.944 0.933 0.867 CB 1.424 15 residues pruned to eliminate duplicates Z: 15 23.753 1.998 0.578 0.933 0.929 0.714 CB 1.513 15 residues pruned to eliminate duplicates Z: 10 5.422 1.602 0.659 0.412 0.667 0.444 CB 1.119 10 residues pruned to eliminate duplicates Z: 7 8.543 1.860 0.724 0.581 0.833 0.500 CB 1.207 7 residues pruned to eliminate duplicates Z: 9 6.028 1.637 0.833 0.614 0.625 0.375 CB 1.020 9 residues pruned to eliminate duplicates Z: 16 10.507 1.688 0.747 0.471 0.867 0.333 CB 1.094 16 residues pruned to eliminate duplicates Z: 9 9.939 1.634 0.641 0.672 1.000 0.625 CB 1.118 9 residues pruned to eliminate duplicates Z: 9 10.432 1.745 0.712 0.754 0.750 0.500 CB 1.313 9 residues pruned to eliminate duplicates Z: 10 8.574 1.618 0.694 0.663 1.000 0.667 CB 0.897 10 residues pruned to eliminate duplicates Z: 11 17.740 2.044 0.666 0.727 0.900 0.700 CA 1.492 Z: 9 26.863 2.121 1.078 0.883 1.000 0.625 CA 1.558 9 residues pruned to eliminate duplicates Z: 9 27.342 2.071 1.039 0.898 1.000 0.250 CA 1.637 9 residues pruned to eliminate duplicates Z: 8 22.143 2.012 1.131 0.882 0.857 0.286 CA 1.648 8 residues pruned to eliminate duplicates Z: 13 13.563 2.002 0.760 0.587 0.750 0.667 CB 1.363 13 residues pruned to eliminate duplicates Z: 15 16.102 1.984 0.860 0.573 0.786 0.214 CB 1.383 12 residues pruned to eliminate duplicates Z: 9 24.409 2.117 0.923 0.870 1.000 0.875 CA 1.548 9 residues pruned to eliminate duplicates Z: 13 9.954 1.884 0.403 0.608 0.833 0.667 CB 1.177 13 residues pruned to eliminate duplicates Z: 28 25.429 1.948 0.680 0.697 0.926 0.630 CB 1.350 27 residues pruned to eliminate duplicates Z: 11 18.431 1.991 0.455 0.799 1.000 0.700 CB 1.549 11 residues pruned to eliminate duplicates Z: 13 12.413 1.873 0.444 0.671 0.833 0.667 CB 1.358 13 residues pruned to eliminate duplicates Z: 28 23.890 1.952 0.656 0.691 0.926 0.630 CB 1.290 28 residues pruned to eliminate duplicates Z: 11 20.805 1.939 0.620 0.872 1.000 0.800 CB 1.526 11 residues pruned to eliminate duplicates Z: 10 20.965 2.099 0.663 0.850 1.000 0.667 CA 1.483 11 residues pruned to eliminate duplicates Z: 11 19.460 1.947 0.655 0.816 1.000 0.700 CB 1.451 11 residues pruned to eliminate duplicates Z: 19 18.726 1.791 0.781 0.614 0.944 0.722 CB 1.316 19 residues pruned to eliminate duplicates Z: 17 14.980 1.817 0.501 0.700 0.875 0.625 CB 1.308 17 residues pruned to eliminate duplicates Z: 10 5.816 1.607 0.878 0.363 0.667 0.333 CB 1.117 Z: 13 21.565 2.074 0.764 0.789 0.917 0.667 CB 1.440 22 residues pruned to eliminate duplicates Z: 11 25.034 2.066 0.984 0.812 1.000 0.600 CA 1.471 11 residues pruned to eliminate duplicates Z: 10 21.651 2.184 1.007 0.746 0.889 0.667 CB 1.486 10 residues pruned to eliminate duplicates Z: 11 19.000 2.165 0.625 0.790 0.900 0.800 CB 1.471 11 residues pruned to eliminate duplicates Z: 14 20.678 2.046 0.710 0.774 0.923 0.769 CB 1.394 14 residues pruned to eliminate duplicates Z: 12 20.497 2.026 0.765 0.803 0.909 0.636 CB 1.460 12 residues pruned to eliminate duplicates Z: 12 21.339 2.119 1.104 0.720 0.909 0.818 CB 1.301 12 residues pruned to eliminate duplicates Z: 56 43.619 2.110 0.715 0.734 0.927 0.545 CB 1.420 53 residues pruned to eliminate duplicates Z: 14 16.363 2.032 0.663 0.805 0.769 0.615 CB 1.338 14 residues pruned to eliminate duplicates Z: 12 22.790 2.068 0.640 0.881 1.000 0.636 CB 1.468 13 residues pruned to eliminate duplicates Z: 12 22.578 2.269 0.438 0.715 1.000 0.636 CB 1.717 12 residues pruned to eliminate duplicates Z: 21 24.471 2.088 0.777 0.609 0.850 0.650 CB 1.565 22 residues pruned to eliminate duplicates Z: 11 23.092 2.120 0.603 0.774 1.000 0.600 CB 1.686 11 residues pruned to eliminate duplicates Z: 22 21.277 2.040 0.606 0.518 0.905 0.429 CB 1.539 22 residues pruned to eliminate duplicates Z: 10 18.709 2.259 0.355 0.763 0.889 0.556 CB 1.815 10 residues pruned to eliminate duplicates Z: 22 18.119 2.055 0.485 0.558 0.810 0.429 CB 1.513 22 residues pruned to eliminate duplicates Z: 38 27.464 2.183 0.719 0.415 0.865 0.486 CB 1.521 38 residues pruned to eliminate duplicates Z: 21 18.694 2.055 0.522 0.559 0.850 0.400 CB 1.485 21 residues pruned to eliminate duplicates Z: 59 29.088 2.037 0.679 0.449 0.845 0.517 CB 1.393 62 residues pruned to eliminate duplicates Z: 11 21.602 2.127 0.476 0.804 1.000 0.700 CA 1.668 11 residues pruned to eliminate duplicates Z: 18 19.801 1.982 0.354 0.657 0.941 0.588 CB 1.644 18 residues pruned to eliminate duplicates Z: 7 2.932 1.468 0.232 0.622 0.833 0.667 CB 0.708 7 residues pruned to eliminate duplicates Z: 17 21.919 1.914 0.567 0.828 0.938 0.875 CB 1.468 17 residues pruned to eliminate duplicates Z: 34 26.481 2.049 0.446 0.671 0.879 0.727 CB 1.511 34 residues pruned to eliminate duplicates Z: 18 26.053 2.120 0.434 0.915 0.941 0.882 CB 1.561 18 residues pruned to eliminate duplicates Z: 46 29.711 1.944 0.595 0.632 0.911 0.644 CB 1.385 46 residues pruned to eliminate duplicates Z: 28 30.432 2.027 0.604 0.808 0.963 0.667 CB 1.430 28 residues pruned to eliminate duplicates Z: 26 28.642 2.092 0.469 0.814 0.920 0.600 CB 1.542 26 residues pruned to eliminate duplicates Z: 17 28.157 2.142 0.552 0.924 0.938 0.688 CB 1.586 17 residues pruned to eliminate duplicates Z: 53 30.150 1.934 0.558 0.643 0.904 0.615 CB 1.343 53 residues pruned to eliminate duplicates Z: 41 34.895 1.994 0.613 0.715 0.950 0.550 CB 1.485 41 residues pruned to eliminate duplicates Z: 40 28.072 1.998 0.583 0.647 0.872 0.692 CB 1.421 40 residues pruned to eliminate duplicates Z: 38 38.602 2.079 0.760 0.739 0.946 0.649 CB 1.479 38 residues pruned to eliminate duplicates Z: 20 28.425 2.036 0.779 0.832 0.895 0.579 CB 1.512 20 residues pruned to eliminate duplicates Z: 26 32.070 2.107 0.576 0.816 0.960 0.840 CB 1.528 27 residues pruned to eliminate duplicates Z: 26 27.273 1.941 0.438 0.909 0.960 0.680 CB 1.445 26 residues pruned to eliminate duplicates Z: 62 28.785 1.950 0.419 0.622 0.885 0.639 CB 1.340 62 residues pruned to eliminate duplicates Z: 42 29.716 1.981 0.669 0.675 0.854 0.561 CB 1.400 42 residues pruned to eliminate duplicates Z: 80 41.258 1.927 0.668 0.623 0.962 0.519 CB 1.336 123 residues pruned to eliminate duplicates Z: 24 34.761 2.068 0.822 0.878 0.913 0.609 CB 1.528 24 residues pruned to eliminate duplicates Z: 44 29.490 1.931 0.732 0.662 0.860 0.465 CB 1.345 44 residues pruned to eliminate duplicates Z: 43 30.018 1.966 0.632 0.687 0.857 0.595 CB 1.418 43 residues pruned to eliminate duplicates Z: 40 38.339 2.023 0.857 0.679 0.923 0.590 CB 1.502 47 residues pruned to eliminate duplicates Z: 22 27.333 2.044 0.854 0.841 0.857 0.524 CB 1.370 22 residues pruned to eliminate duplicates Z: 40 31.330 2.001 0.779 0.685 0.846 0.615 CB 1.406 40 residues pruned to eliminate duplicates Z: 39 25.301 1.991 0.765 0.538 0.816 0.368 CB 1.379 39 residues pruned to eliminate duplicates Z: 41 32.043 1.996 0.765 0.685 0.875 0.625 CB 1.387 41 residues pruned to eliminate duplicates Z: 41 34.443 2.056 0.626 0.692 0.925 0.725 CB 1.478 41 residues pruned to eliminate duplicates Z: 41 31.479 2.023 0.638 0.670 0.900 0.675 CB 1.426 41 residues pruned to eliminate duplicates Z: 40 36.590 2.054 0.784 0.717 0.923 0.641 CB 1.423 40 residues pruned to eliminate duplicates Z: 41 27.023 1.919 0.709 0.666 0.875 0.525 CB 1.277 41 residues pruned to eliminate duplicates Z: 40 34.330 2.029 0.733 0.696 0.923 0.590 CB 1.416 40 residues pruned to eliminate duplicates Z: 19 11.391 1.832 0.750 0.411 0.833 0.556 CB 1.104 19 residues pruned to eliminate duplicates Z: 41 29.848 1.995 0.732 0.678 0.850 0.550 CB 1.364 41 residues pruned to eliminate duplicates Z: 18 8.770 1.711 0.212 0.459 0.824 0.529 CB 1.299 18 residues pruned to eliminate duplicates Z: 42 31.768 1.960 0.718 0.666 0.927 0.512 CB 1.362 42 residues pruned to eliminate duplicates Z: 14 8.774 1.715 0.419 0.363 0.923 0.615 CB 1.256 12 residues pruned to eliminate duplicates Z: 7 2.984 1.570 -0.072 0.416 1.000 0.500 CB 0.913 7 residues pruned to eliminate duplicates Z: 10 8.276 1.766 0.370 0.571 0.889 0.778 CB 1.198 13 residues pruned to eliminate duplicates Z: 15 14.291 1.807 0.431 0.684 0.929 0.714 CB 1.344 15 residues pruned to eliminate duplicates Z: 15 16.346 2.011 0.568 0.610 0.929 0.714 CB 1.344 15 residues pruned to eliminate duplicates Z: 14 18.880 1.925 0.714 0.704 1.000 0.462 CB 1.319 14 residues pruned to eliminate duplicates Z: 90 60.498 2.275 0.724 0.594 0.921 0.562 CB 1.623 91 residues pruned to eliminate duplicates Z: 13 17.308 1.867 0.628 0.856 1.000 0.667 CA 1.212 13 residues pruned to eliminate duplicates Z: 37 29.080 2.131 0.740 0.580 0.861 0.611 CB 1.405 33 residues pruned to eliminate duplicates Z: 12 24.794 1.973 0.895 0.907 1.000 0.455 CB 1.421 14 residues pruned to eliminate duplicates Z: 6 9.414 1.993 0.786 0.818 0.600 0.200 CB 1.496 6 residues pruned to eliminate duplicates Z: 53 29.656 2.138 0.577 0.458 0.885 0.423 CB 1.439 53 residues pruned to eliminate duplicates Z: 25 26.792 2.219 0.601 0.516 0.875 0.542 CA 1.732 25 residues pruned to eliminate duplicates Z: 92 61.584 2.257 0.739 0.615 0.890 0.593 CB 1.657 92 residues pruned to eliminate duplicates Z: 52 32.885 2.217 0.618 0.449 0.824 0.314 CB 1.642 52 residues pruned to eliminate duplicates Z: 16 26.473 2.395 0.337 0.669 1.000 0.600 CA 1.826 16 residues pruned to eliminate duplicates Z: 39 27.076 2.248 0.405 0.455 0.868 0.421 CB 1.678 39 residues pruned to eliminate duplicates Z: 48 30.790 2.137 0.640 0.527 0.851 0.532 CB 1.465 48 residues pruned to eliminate duplicates Z: 33 25.920 2.220 0.464 0.525 0.844 0.562 CB 1.631 33 residues pruned to eliminate duplicates Z: 54 34.260 2.225 0.544 0.453 0.925 0.453 CB 1.556 54 residues pruned to eliminate duplicates Z: 33 25.421 2.227 0.371 0.557 0.875 0.594 CA 1.592 33 residues pruned to eliminate duplicates Z: 34 32.935 2.300 0.606 0.485 0.909 0.545 CB 1.733 34 residues pruned to eliminate duplicates Z: 40 27.850 2.160 0.574 0.500 0.872 0.462 CB 1.504 40 residues pruned to eliminate duplicates Z: 53 35.457 2.226 0.684 0.455 0.885 0.500 CB 1.552 54 residues pruned to eliminate duplicates Z: 13 26.484 2.194 0.656 0.745 1.000 0.500 CB 1.690 13 residues pruned to eliminate duplicates Z: 81 59.402 2.266 0.711 0.597 0.925 0.600 CA 1.689 81 residues pruned to eliminate duplicates Z: 52 35.046 2.222 0.585 0.469 0.902 0.510 CB 1.595 53 residues pruned to eliminate duplicates Z: 13 23.319 2.158 0.624 0.755 0.917 0.500 CA 1.671 13 residues pruned to eliminate duplicates Z: 46 32.124 2.228 0.628 0.436 0.889 0.489 CB 1.586 46 residues pruned to eliminate duplicates Z: 84 53.290 2.242 0.730 0.576 0.892 0.602 CB 1.572 84 residues pruned to eliminate duplicates Z: 75 53.670 2.227 0.770 0.593 0.878 0.635 CB 1.649 75 residues pruned to eliminate duplicates Z: 54 35.603 2.185 0.682 0.471 0.887 0.434 CB 1.545 54 residues pruned to eliminate duplicates Z: 34 31.278 2.187 0.566 0.573 0.909 0.485 CB 1.631 34 residues pruned to eliminate duplicates Z: 98 61.798 2.177 0.675 0.649 0.918 0.649 CB 1.632 98 residues pruned to eliminate duplicates Z: 33 29.431 2.159 0.636 0.583 0.875 0.562 CB 1.555 33 residues pruned to eliminate duplicates Z: 50 32.460 2.218 0.546 0.465 0.878 0.469 CB 1.597 50 residues pruned to eliminate duplicates Z: 53 25.545 2.154 0.529 0.410 0.788 0.385 CB 1.500 53 residues pruned to eliminate duplicates Z: 21 17.630 2.185 0.620 0.221 0.950 0.350 CB 1.625 21 residues pruned to eliminate duplicates Z: 57 52.870 2.310 0.733 0.652 0.929 0.661 CB 1.649 57 residues pruned to eliminate duplicates Z: 20 19.948 2.256 0.556 0.362 0.895 0.526 CB 1.691 20 residues pruned to eliminate duplicates Z: 53 35.346 2.215 0.660 0.476 0.885 0.500 CB 1.544 53 residues pruned to eliminate duplicates Z: 30 18.619 2.111 0.635 0.310 0.828 0.379 CB 1.495 30 residues pruned to eliminate duplicates Z: 66 49.544 2.175 0.762 0.638 0.908 0.677 CB 1.552 66 residues pruned to eliminate duplicates Z: 58 56.285 2.319 0.800 0.640 0.912 0.684 CB 1.717 58 residues pruned to eliminate duplicates Z: 102 63.428 2.215 0.755 0.622 0.891 0.663 CB 1.625 102 residues pruned to eliminate duplicates Z: 29 22.664 2.097 0.696 0.361 0.929 0.500 CB 1.506 29 residues pruned to eliminate duplicates Z: 45 29.040 2.261 0.485 0.415 0.909 0.477 CB 1.567 45 residues pruned to eliminate duplicates Z: 95 54.721 2.228 0.757 0.576 0.872 0.574 CB 1.537 95 residues pruned to eliminate duplicates Z: 21 17.962 2.176 0.639 0.349 0.850 0.250 CB 1.560 21 residues pruned to eliminate duplicates Z: 19 19.198 2.156 0.709 0.336 0.889 0.444 CB 1.654 19 residues pruned to eliminate duplicates Z: 18 18.365 2.242 0.582 0.372 0.882 0.588 CB 1.633 18 residues pruned to eliminate duplicates Z: 53 28.605 2.165 0.524 0.423 0.885 0.538 CB 1.472 53 residues pruned to eliminate duplicates Z: 56 31.963 2.180 0.526 0.465 0.927 0.491 CB 1.448 56 residues pruned to eliminate duplicates Z: 43 19.578 2.139 0.523 0.322 0.762 0.476 CB 1.481 43 residues pruned to eliminate duplicates Z: 44 29.005 2.222 0.546 0.422 0.860 0.419 CB 1.623 44 residues pruned to eliminate duplicates Z: 12 9.661 1.829 0.383 0.416 0.909 0.636 CB 1.383 12 residues pruned to eliminate duplicates Z: 14 8.712 1.746 0.543 0.330 0.923 0.385 CB 1.170 14 residues pruned to eliminate duplicates Z: 12 8.553 1.807 0.455 0.444 0.909 0.727 CB 1.142 12 residues pruned to eliminate duplicates Z: 6 15.495 2.267 0.715 0.614 1.000 0.800 CB 1.601 6 residues pruned to eliminate duplicates Z: 9 9.373 2.007 0.410 0.572 1.000 0.875 CB 1.092 9 residues pruned to eliminate duplicates Z: 8 6.970 2.002 0.311 0.536 0.857 0.714 CB 1.131 8 residues pruned to eliminate duplicates Z: 8 7.011 2.135 0.411 0.570 0.714 0.714 CB 1.151 8 residues pruned to eliminate duplicates Z: 25 19.820 2.039 0.458 0.543 0.917 0.625 CB 1.425 25 residues pruned to eliminate duplicates Z: 28 22.760 1.987 0.496 0.600 0.889 0.593 CB 1.507 28 residues pruned to eliminate duplicates Z: 20 14.885 1.806 0.713 0.652 0.789 0.632 CB 1.214 20 residues pruned to eliminate duplicates Z: 27 23.609 2.011 0.515 0.617 0.923 0.731 CB 1.474 27 residues pruned to eliminate duplicates Z: 24 27.905 2.089 0.664 0.743 0.870 0.696 CB 1.548 25 residues pruned to eliminate duplicates Z: 17 25.667 1.945 0.733 0.895 0.938 0.875 CB 1.456 17 residues pruned to eliminate duplicates Z: 24 16.377 1.919 0.491 0.454 0.870 0.652 CB 1.438 24 residues pruned to eliminate duplicates Z: 15 21.530 2.003 0.569 0.651 1.000 0.714 CA 1.590 14 residues pruned to eliminate duplicates Z: 18 25.774 1.900 0.836 0.860 0.941 0.706 CB 1.401 18 residues pruned to eliminate duplicates Z: 25 19.218 2.004 0.453 0.528 0.875 0.583 CB 1.498 25 residues pruned to eliminate duplicates Z: 26 23.978 2.024 0.513 0.650 0.880 0.720 CB 1.547 26 residues pruned to eliminate duplicates Z: 26 25.037 1.999 0.581 0.632 0.880 0.680 CB 1.589 26 residues pruned to eliminate duplicates Z: 27 26.963 2.000 0.593 0.594 0.962 0.577 CB 1.578 27 residues pruned to eliminate duplicates Z: 27 25.058 1.989 0.768 0.624 0.885 0.577 CB 1.405 27 residues pruned to eliminate duplicates Z: 12 9.315 1.941 0.406 0.453 0.909 0.455 CB 1.188 12 residues pruned to eliminate duplicates Z: 26 23.005 2.055 0.441 0.641 0.920 0.600 CB 1.480 26 residues pruned to eliminate duplicates Z: 29 30.721 1.988 0.662 0.704 1.000 0.714 CB 1.459 27 residues pruned to eliminate duplicates Z: 6 4.276 1.748 0.655 0.315 0.800 0.600 CA 1.014 6 residues pruned to eliminate duplicates Z: 27 26.880 1.947 0.689 0.640 0.962 0.615 CB 1.463 27 residues pruned to eliminate duplicates Z: 28 30.345 2.014 0.642 0.699 1.000 0.852 CB 1.473 28 residues pruned to eliminate duplicates Z: 28 29.169 2.028 0.453 0.710 1.000 0.889 CA 1.575 28 residues pruned to eliminate duplicates Z: 27 26.074 1.959 0.634 0.653 0.962 0.615 CB 1.441 27 residues pruned to eliminate duplicates Z: 8 6.102 1.383 0.833 0.737 0.857 0.571 CB 0.858 8 residues pruned to eliminate duplicates Z: 21 8.519 1.464 0.394 0.484 0.900 0.500 CB 1.053 21 residues pruned to eliminate duplicates Z: 16 8.437 1.501 0.557 0.552 0.867 0.533 CB 1.022 16 residues pruned to eliminate duplicates Z: 7 4.055 1.487 0.470 0.456 0.667 0.500 N 1.188 7 residues pruned to eliminate duplicates Z: 16 8.742 1.444 0.627 0.531 1.000 0.400 CB 0.931 16 residues pruned to eliminate duplicates Z: 13 11.431 1.563 0.456 0.733 1.000 0.750 CB 1.176 13 residues pruned to eliminate duplicates Z: 27 26.206 1.960 0.771 0.593 0.885 0.538 CB 1.531 27 residues pruned to eliminate duplicates Z: 29 23.172 1.964 0.623 0.579 0.929 0.607 CB 1.371 29 residues pruned to eliminate duplicates Z: 24 16.090 1.815 0.731 0.440 0.826 0.522 CB 1.375 23 residues pruned to eliminate duplicates Z: 16 19.473 1.946 0.797 0.683 0.800 0.667 CB 1.520 16 residues pruned to eliminate duplicates Z: 19 19.592 1.977 0.798 0.605 0.778 0.667 CB 1.511 19 residues pruned to eliminate duplicates Z: 30 24.743 1.943 0.579 0.610 0.931 0.690 CB 1.450 30 residues pruned to eliminate duplicates Z: 29 22.643 1.963 0.476 0.614 0.929 0.679 CB 1.427 29 residues pruned to eliminate duplicates Z: 28 25.793 1.969 0.547 0.617 1.000 0.704 CB 1.459 28 residues pruned to eliminate duplicates Z: 26 19.819 2.034 0.426 0.603 0.880 0.640 CB 1.408 26 residues pruned to eliminate duplicates Z: 22 20.047 1.916 0.539 0.594 0.857 0.571 CB 1.582 22 residues pruned to eliminate duplicates Z: 28 26.473 1.972 0.618 0.643 1.000 0.556 CB 1.396 28 residues pruned to eliminate duplicates Z: 28 22.831 1.969 0.565 0.630 0.889 0.630 CB 1.420 28 residues pruned to eliminate duplicates Z: 26 27.146 2.033 0.574 0.639 1.000 0.680 CB 1.490 26 residues pruned to eliminate duplicates Z: 14 17.051 1.935 0.604 0.826 0.923 0.692 CA 1.245 14 residues pruned to eliminate duplicates Z: 29 27.636 1.987 0.602 0.619 1.000 0.643 CB 1.466 29 residues pruned to eliminate duplicates Z: 14 18.449 2.109 0.530 0.801 0.846 0.538 CB 1.440 14 residues pruned to eliminate duplicates Z: 29 25.407 1.984 0.582 0.624 0.929 0.571 CB 1.465 29 residues pruned to eliminate duplicates Z: 29 20.863 1.976 0.487 0.554 0.857 0.464 CB 1.485 29 residues pruned to eliminate duplicates Z: 24 19.043 1.944 0.535 0.551 0.913 0.391 CB 1.387 24 residues pruned to eliminate duplicates Z: 13 11.501 1.656 0.669 0.886 0.917 0.750 CB 0.945 13 residues pruned to eliminate duplicates Z: 10 10.075 1.658 0.393 0.730 1.000 0.778 CB 1.182 10 residues pruned to eliminate duplicates Z: 14 10.375 1.653 0.344 0.796 1.000 0.769 CB 1.000 13 residues pruned to eliminate duplicates Z: 15 14.590 1.614 0.579 0.833 1.000 0.714 CB 1.148 16 residues pruned to eliminate duplicates Z: 15 12.916 1.623 0.620 0.802 0.929 0.643 CB 1.086 15 residues pruned to eliminate duplicates Z: 13 12.399 1.628 0.698 0.820 0.917 0.750 CB 1.070 13 residues pruned to eliminate duplicates Z: 16 10.416 1.580 0.470 0.759 0.933 0.733 CB 0.986 16 residues pruned to eliminate duplicates Z: 11 13.912 2.036 0.242 0.684 0.900 0.700 CB 1.633 11 residues pruned to eliminate duplicates Z: 13 11.533 1.935 0.183 0.611 0.917 0.500 CB 1.428 13 residues pruned to eliminate duplicates Z: 17 6.937 1.639 0.373 0.452 0.688 0.625 CB 1.177 17 residues pruned to eliminate duplicates Z: 14 10.910 1.899 0.194 0.566 0.923 0.615 CB 1.356 14 residues pruned to eliminate duplicates Z: 19 7.635 1.730 0.276 0.382 0.778 0.500 CB 1.188 14 residues pruned to eliminate duplicates Z: 8 15.151 1.878 0.526 0.876 1.000 0.857 CB 1.452 8 residues pruned to eliminate duplicates Z: 12 9.931 1.746 0.484 0.470 0.909 0.364 CB 1.310 18 residues pruned to eliminate duplicates Z: 6 6.997 1.734 0.548 0.793 0.800 0.400 N 1.128 6 residues pruned to eliminate duplicates Z: 27 18.331 1.822 0.618 0.502 0.923 0.538 CB 1.318 23 residues pruned to eliminate duplicates Z: 12 7.539 1.490 0.460 0.591 0.909 0.636 CB 1.054 12 residues pruned to eliminate duplicates Z: 6 6.101 1.684 0.066 0.656 1.000 0.800 CB 1.315 6 residues pruned to eliminate duplicates Z: 27 14.961 1.800 0.525 0.456 0.885 0.538 CB 1.264 27 residues pruned to eliminate duplicates Z: 18 9.231 1.704 0.403 0.451 0.824 0.588 CB 1.196 18 residues pruned to eliminate duplicates Z: 25 12.979 1.841 0.318 0.415 0.875 0.542 CB 1.364 26 residues pruned to eliminate duplicates Z: 7 6.085 1.650 0.135 0.718 1.000 0.833 CA 1.090 7 residues pruned to eliminate duplicates Z: 16 8.199 1.693 0.470 0.451 0.800 0.600 CB 1.117 16 residues pruned to eliminate duplicates Z: 10 4.962 1.689 0.066 0.468 0.778 0.556 CB 1.220 10 residues pruned to eliminate duplicates Z: 26 13.019 1.841 0.322 0.450 0.800 0.560 CB 1.406 26 residues pruned to eliminate duplicates Z: 11 10.088 2.068 0.219 0.486 0.800 0.600 CB 1.605 15 residues pruned to eliminate duplicates Z: 6 2.289 1.650 -0.165 0.311 0.800 0.400 CB 1.146 6 residues pruned to eliminate duplicates Z: 10 9.036 2.023 0.203 0.446 0.778 0.556 CB 1.683 10 residues pruned to eliminate duplicates Z: 10 6.973 1.638 0.215 0.660 1.000 0.444 CB 1.007 10 residues pruned to eliminate duplicates Z: 19 9.035 1.760 0.394 0.422 0.778 0.611 CB 1.210 19 residues pruned to eliminate duplicates Z: 65 30.059 1.982 0.573 0.487 0.922 0.500 CB 1.325 65 residues pruned to eliminate duplicates Z: 12 9.020 1.837 0.429 0.443 0.818 0.636 CB 1.342 12 residues pruned to eliminate duplicates Z: 23 13.667 1.868 0.511 0.463 0.864 0.500 CB 1.241 23 residues pruned to eliminate duplicates Z: 12 9.939 1.892 0.333 0.493 0.909 0.636 CB 1.316 12 residues pruned to eliminate duplicates Z: 30 10.929 1.925 0.345 0.372 0.793 0.483 CB 1.134 30 residues pruned to eliminate duplicates Z: 12 8.575 1.859 0.378 0.440 0.818 0.455 CB 1.312 12 residues pruned to eliminate duplicates Z: 23 15.162 1.884 0.495 0.550 0.864 0.591 CB 1.266 23 residues pruned to eliminate duplicates Z: 36 23.836 1.947 0.627 0.567 0.943 0.629 CB 1.264 36 residues pruned to eliminate duplicates Z: 12 8.050 1.784 0.384 0.480 0.818 0.455 CB 1.226 12 residues pruned to eliminate duplicates Z: 52 28.470 1.966 0.606 0.537 0.902 0.588 CB 1.350 52 residues pruned to eliminate duplicates Z: 46 24.127 1.950 0.595 0.444 0.889 0.533 CB 1.378 46 residues pruned to eliminate duplicates Z: 25 10.857 1.913 0.482 0.378 0.833 0.333 CB 1.069 25 residues pruned to eliminate duplicates Z: 26 16.160 1.924 0.546 0.484 0.920 0.600 CB 1.200 26 residues pruned to eliminate duplicates Z: 13 11.315 1.992 0.566 0.383 0.833 0.417 CB 1.423 13 residues pruned to eliminate duplicates Z: 26 12.740 1.889 0.511 0.390 0.880 0.560 CB 1.139 26 residues pruned to eliminate duplicates Z: 10 14.661 2.074 0.946 0.531 0.889 0.667 CB 1.321 10 residues pruned to eliminate duplicates Z: 53 28.655 1.983 0.584 0.522 0.904 0.635 CB 1.370 53 residues pruned to eliminate duplicates Z: 38 25.420 2.011 0.483 0.559 1.000 0.595 CB 1.323 38 residues pruned to eliminate duplicates Z: 40 29.304 2.027 0.833 0.480 0.923 0.667 CB 1.395 40 residues pruned to eliminate duplicates Z: 23 12.074 1.829 0.476 0.456 0.773 0.455 CB 1.290 23 residues pruned to eliminate duplicates Z: 37 24.082 2.022 0.587 0.525 0.889 0.667 CB 1.373 37 residues pruned to eliminate duplicates Z: 46 28.293 1.988 0.646 0.511 0.911 0.622 CB 1.400 46 residues pruned to eliminate duplicates Z: 41 25.512 2.022 0.659 0.501 0.900 0.625 CB 1.335 41 residues pruned to eliminate duplicates Z: 29 26.301 2.089 0.810 0.580 0.857 0.607 CB 1.420 29 residues pruned to eliminate duplicates Z: 48 26.858 1.951 0.680 0.520 0.915 0.553 CB 1.281 48 residues pruned to eliminate duplicates Z: 49 24.116 1.939 0.562 0.490 0.896 0.646 CB 1.296 49 residues pruned to eliminate duplicates Z: 42 24.868 1.961 0.678 0.561 0.854 0.634 CB 1.304 42 residues pruned to eliminate duplicates Z: 32 26.063 1.976 0.801 0.553 0.903 0.677 CB 1.383 32 residues pruned to eliminate duplicates Z: 31 24.840 1.984 0.610 0.571 0.933 0.700 CB 1.421 31 residues pruned to eliminate duplicates Z: 53 28.361 1.977 0.611 0.515 0.923 0.635 CB 1.318 53 residues pruned to eliminate duplicates Z: 51 23.737 1.936 0.517 0.481 0.880 0.600 CB 1.324 51 residues pruned to eliminate duplicates Z: 31 26.245 2.006 0.702 0.551 0.900 0.633 CB 1.484 31 residues pruned to eliminate duplicates Z: 30 28.385 2.003 0.658 0.591 1.000 0.586 CB 1.455 30 residues pruned to eliminate duplicates Z: 52 31.715 1.979 0.733 0.515 0.961 0.647 CB 1.329 52 residues pruned to eliminate duplicates Z: 45 25.173 1.922 0.702 0.516 0.886 0.591 CB 1.288 45 residues pruned to eliminate duplicates Z: 31 27.081 1.992 0.743 0.541 0.967 0.533 CB 1.416 31 residues pruned to eliminate duplicates Z: 38 23.984 1.974 0.672 0.573 0.892 0.486 CB 1.248 38 residues pruned to eliminate duplicates Z: 42 24.008 1.957 0.684 0.545 0.902 0.585 CB 1.207 42 residues pruned to eliminate duplicates Z: 27 23.531 1.991 0.853 0.621 0.846 0.615 CB 1.319 27 residues pruned to eliminate duplicates Z: 20 26.858 1.893 1.177 0.703 0.947 0.421 CB 1.311 20 residues pruned to eliminate duplicates Z: 11 9.763 1.920 0.618 0.483 0.900 0.700 CB 1.123 12 residues pruned to eliminate duplicates Z: 6 11.789 2.197 0.459 0.819 1.000 1.000 CB 1.247 6 residues pruned to eliminate duplicates Z: 7 6.966 1.733 0.232 0.705 1.000 0.667 CB 1.105 5 residues pruned to eliminate duplicates Z: 6 6.353 1.906 0.010 0.773 1.000 0.800 CA 1.159 6 residues pruned to eliminate duplicates Z: 17 13.132 2.076 0.549 0.509 0.812 0.688 CB 1.245 18 residues pruned to eliminate duplicates Z: 29 24.378 1.915 0.185 0.904 1.000 0.893 CA 1.445 29 residues pruned to eliminate duplicates Z: 32 27.644 1.913 0.367 0.786 0.935 0.806 CB 1.578 32 residues pruned to eliminate duplicates Z: 29 30.127 1.971 0.481 0.820 1.000 0.714 CB 1.478 29 residues pruned to eliminate duplicates Z: 20 18.521 1.834 0.479 0.632 1.000 0.684 CA 1.383 20 residues pruned to eliminate duplicates Z: 36 31.032 1.889 0.552 0.786 0.943 0.743 CB 1.476 36 residues pruned to eliminate duplicates Z: 22 13.017 1.878 0.310 0.581 0.810 0.571 CB 1.320 22 residues pruned to eliminate duplicates Z: 23 21.832 1.936 0.378 0.775 0.909 0.773 CB 1.504 23 residues pruned to eliminate duplicates Z: 21 22.262 1.971 0.560 0.740 0.950 0.800 CB 1.374 21 residues pruned to eliminate duplicates Z: 25 20.269 1.874 0.124 0.920 1.000 0.833 CB 1.383 25 residues pruned to eliminate duplicates Z: 30 28.645 1.921 0.714 0.755 0.862 0.621 CB 1.493 30 residues pruned to eliminate duplicates Z: 39 27.723 1.821 0.567 0.703 0.921 0.763 CB 1.422 39 residues pruned to eliminate duplicates Z: 25 26.122 1.913 0.341 0.872 1.000 0.833 CA 1.515 25 residues pruned to eliminate duplicates Z: 37 24.651 1.815 0.352 0.721 0.917 0.722 CB 1.497 37 residues pruned to eliminate duplicates Z: 30 27.541 1.888 0.428 0.829 0.966 0.724 CB 1.479 30 residues pruned to eliminate duplicates Z: 35 29.570 1.854 0.821 0.736 0.971 0.529 CB 1.252 35 residues pruned to eliminate duplicates Z: 18 14.704 1.810 0.502 0.596 0.824 0.412 CB 1.454 18 residues pruned to eliminate duplicates Z: 37 30.726 1.843 0.633 0.845 0.944 0.694 CB 1.340 37 residues pruned to eliminate duplicates Z: 18 12.668 1.804 0.650 0.485 0.765 0.647 CB 1.371 18 residues pruned to eliminate duplicates Z: 21 24.876 1.857 0.557 0.820 1.000 0.650 CB 1.458 21 residues pruned to eliminate duplicates Z: 19 18.370 1.815 0.811 0.617 0.833 0.389 CB 1.416 19 residues pruned to eliminate duplicates Z: 22 23.790 1.874 0.617 0.798 0.905 0.571 CB 1.458 22 residues pruned to eliminate duplicates Z: 19 25.068 1.927 0.642 0.792 1.000 0.778 CB 1.446 19 residues pruned to eliminate duplicates Z: 36 38.087 1.921 0.862 0.814 0.943 0.657 CB 1.453 37 residues pruned to eliminate duplicates Z: 31 37.680 1.883 0.859 0.915 1.000 0.733 CB 1.389 29 residues pruned to eliminate duplicates Z: 29 39.134 1.943 0.801 0.928 1.000 0.679 CB 1.480 29 residues pruned to eliminate duplicates Z: 22 21.818 1.810 0.727 0.741 0.952 0.476 CB 1.289 22 residues pruned to eliminate duplicates Z: 38 35.073 1.849 0.936 0.793 0.946 0.811 CB 1.317 38 residues pruned to eliminate duplicates Z: 21 26.331 1.882 0.744 0.803 0.900 0.750 CB 1.530 21 residues pruned to eliminate duplicates 6 1.519 2.008 0.437 0.100 0.600 0.000 CB 0.654 ? Z: 7 3.955 1.806 0.622 0.201 0.667 0.000 CB 1.180 6 residues pruned to eliminate duplicates Z: 17 23.158 1.878 0.761 0.841 1.000 0.750 CB 1.305 17 residues pruned to eliminate duplicates Z: 21 11.995 1.799 0.324 0.477 0.900 0.350 CB 1.280 21 residues pruned to eliminate duplicates Z: 20 16.824 1.859 0.547 0.716 0.947 0.579 CB 1.165 20 residues pruned to eliminate duplicates Z: 21 15.468 1.784 0.567 0.638 0.900 0.600 CB 1.207 21 residues pruned to eliminate duplicates Z: 28 15.354 1.840 0.447 0.541 0.889 0.519 CB 1.200 28 residues pruned to eliminate duplicates Z: 20 11.365 1.767 0.552 0.537 0.842 0.421 CB 1.088 20 residues pruned to eliminate duplicates Z: 19 16.818 1.858 0.436 0.749 0.833 0.722 CB 1.428 19 residues pruned to eliminate duplicates Z: 22 15.178 1.841 0.410 0.676 0.905 0.762 CB 1.199 22 residues pruned to eliminate duplicates Z: 20 18.488 1.862 0.532 0.707 0.895 0.632 CB 1.378 20 residues pruned to eliminate duplicates Z: 32 16.937 1.763 0.618 0.486 0.871 0.484 CB 1.242 33 residues pruned to eliminate duplicates Z: 16 19.670 1.852 0.730 0.796 0.867 0.600 CB 1.412 16 residues pruned to eliminate duplicates Z: 21 19.454 1.802 0.494 0.705 0.950 0.650 CB 1.411 21 residues pruned to eliminate duplicates Z: 24 16.322 1.906 0.483 0.553 0.913 0.522 CB 1.253 24 residues pruned to eliminate duplicates Z: 21 14.940 1.856 0.401 0.669 0.800 0.600 CB 1.374 21 residues pruned to eliminate duplicates Z: 17 21.539 1.893 0.691 0.837 1.000 0.750 CB 1.258 17 residues pruned to eliminate duplicates Z: 19 29.686 2.059 0.844 0.726 0.889 0.778 CB 1.691 19 residues pruned to eliminate duplicates Z: 17 30.595 2.093 0.714 0.798 0.938 0.750 CB 1.753 18 residues pruned to eliminate duplicates Z: 17 26.358 1.912 0.623 0.877 0.938 0.875 CB 1.645 17 residues pruned to eliminate duplicates Z: 18 25.730 2.046 0.581 0.767 0.882 0.765 CB 1.725 18 residues pruned to eliminate duplicates Z: 53 37.351 2.035 0.578 0.709 0.942 0.615 CB 1.415 63 residues pruned to eliminate duplicates Z: 17 24.623 2.032 0.540 0.847 0.938 0.812 CB 1.556 17 residues pruned to eliminate duplicates Z: 19 21.881 1.915 0.676 0.713 0.833 0.667 CB 1.590 19 residues pruned to eliminate duplicates Z: 20 24.840 1.988 0.657 0.697 0.895 0.632 CB 1.616 20 residues pruned to eliminate duplicates Z: 25 17.192 1.855 0.658 0.574 0.792 0.542 CB 1.343 25 residues pruned to eliminate duplicates Z: 17 33.848 2.126 0.861 0.816 0.938 0.750 CB 1.733 17 residues pruned to eliminate duplicates Z: 17 26.629 2.053 0.727 0.820 0.875 0.875 CA 1.625 17 residues pruned to eliminate duplicates Z: 22 28.550 2.148 0.769 0.705 0.952 0.714 CB 1.428 22 residues pruned to eliminate duplicates Z: 24 28.321 1.982 0.763 0.681 0.870 0.609 CB 1.646 24 residues pruned to eliminate duplicates Z: 31 27.692 1.994 0.777 0.559 0.933 0.667 CB 1.444 31 residues pruned to eliminate duplicates Z: 30 24.422 1.959 0.825 0.576 0.931 0.414 CB 1.266 30 residues pruned to eliminate duplicates Z: 47 26.127 1.957 0.691 0.515 0.891 0.630 CB 1.287 47 residues pruned to eliminate duplicates Z: 31 27.742 1.962 0.771 0.585 0.967 0.633 CB 1.390 31 residues pruned to eliminate duplicates Z: 30 28.096 1.968 0.829 0.624 0.966 0.724 CB 1.336 30 residues pruned to eliminate duplicates Z: 30 29.180 1.960 0.909 0.641 0.966 0.552 CB 1.314 30 residues pruned to eliminate duplicates Z: 51 26.440 1.977 0.636 0.508 0.880 0.640 CB 1.303 51 residues pruned to eliminate duplicates Z: 13 21.964 1.963 0.813 0.846 0.917 0.500 CB 1.444 13 residues pruned to eliminate duplicates Z: 11 25.191 2.049 0.845 0.901 1.000 0.700 CB 1.504 11 residues pruned to eliminate duplicates Z: 12 22.703 2.009 0.588 0.926 1.000 0.727 CB 1.505 12 residues pruned to eliminate duplicates Z: 11 21.272 2.056 0.773 0.921 0.900 0.600 CB 1.443 11 residues pruned to eliminate duplicates Z: 29 21.139 1.878 0.730 0.650 0.893 0.500 CB 1.198 29 residues pruned to eliminate duplicates Z: 12 18.639 1.995 0.714 0.892 0.818 0.636 CB 1.443 12 residues pruned to eliminate duplicates Z: 16 18.449 1.752 0.849 0.725 1.000 0.533 CB 1.200 16 residues pruned to eliminate duplicates Z: 13 22.039 1.919 0.720 0.833 1.000 0.667 CB 1.445 13 residues pruned to eliminate duplicates Z: 6 6.917 1.651 0.826 0.464 1.000 0.400 CA 1.065 6 residues pruned to eliminate duplicates Z: 46 28.028 2.106 0.687 0.494 0.844 0.489 CB 1.402 52 residues pruned to eliminate duplicates Z: 34 24.319 2.011 0.700 0.458 0.879 0.455 CB 1.472 34 residues pruned to eliminate duplicates Z: 52 33.096 2.091 0.717 0.460 0.941 0.510 CB 1.429 52 residues pruned to eliminate duplicates Z: 31 24.177 2.148 0.710 0.464 0.833 0.633 CB 1.496 31 residues pruned to eliminate duplicates Z: 48 24.647 2.002 0.514 0.425 0.851 0.447 CB 1.507 48 residues pruned to eliminate duplicates Z: 29 20.920 2.119 0.574 0.450 0.893 0.464 CB 1.398 29 residues pruned to eliminate duplicates Z: 33 19.439 2.165 0.462 0.490 0.812 0.562 CB 1.350 33 residues pruned to eliminate duplicates Z: 46 25.493 2.110 0.680 0.500 0.844 0.444 CB 1.269 46 residues pruned to eliminate duplicates Z: 39 27.530 2.096 0.743 0.501 0.816 0.421 CB 1.498 39 residues pruned to eliminate duplicates Z: 43 32.851 2.110 0.817 0.490 0.905 0.429 CB 1.476 43 residues pruned to eliminate duplicates Z: 56 29.736 2.080 0.760 0.466 0.873 0.400 CB 1.299 56 residues pruned to eliminate duplicates Z: 33 28.108 2.134 0.819 0.515 0.844 0.438 CB 1.495 33 residues pruned to eliminate duplicates Z: 55 35.843 2.149 0.696 0.543 0.889 0.500 CB 1.443 55 residues pruned to eliminate duplicates Z: 52 28.061 2.080 0.698 0.426 0.824 0.510 CB 1.459 52 residues pruned to eliminate duplicates Z: 45 21.668 2.055 0.634 0.370 0.886 0.545 CB 1.262 45 residues pruned to eliminate duplicates Z: 52 36.827 2.186 0.697 0.534 0.902 0.510 CB 1.491 52 residues pruned to eliminate duplicates Z: 52 23.149 2.012 0.753 0.396 0.863 0.490 CB 1.189 52 residues pruned to eliminate duplicates Z: 33 31.942 2.165 0.760 0.570 0.906 0.531 CB 1.528 33 residues pruned to eliminate duplicates Z: 39 29.712 2.198 0.657 0.526 0.895 0.553 CB 1.441 39 residues pruned to eliminate duplicates Z: 43 23.954 2.093 0.671 0.447 0.905 0.452 CB 1.233 43 residues pruned to eliminate duplicates Z: 31 20.845 2.134 0.740 0.463 0.833 0.567 CB 1.277 31 residues pruned to eliminate duplicates Z: 30 20.917 2.080 0.608 0.527 0.897 0.517 CB 1.261 30 residues pruned to eliminate duplicates Z: 8 3.874 1.737 0.450 0.438 0.571 0.429 CB 1.085 8 residues pruned to eliminate duplicates Z: 22 12.700 1.939 0.541 0.321 0.857 0.524 CB 1.317 22 residues pruned to eliminate duplicates Z: 33 20.009 2.000 0.767 0.415 0.875 0.562 CB 1.250 33 residues pruned to eliminate duplicates Z: 38 18.489 2.078 0.669 0.454 0.784 0.541 CB 1.172 38 residues pruned to eliminate duplicates Z: 49 26.242 2.033 0.650 0.452 0.875 0.479 CB 1.355 49 residues pruned to eliminate duplicates Z: 13 5.590 1.777 0.207 0.349 0.750 0.500 CB 1.181 13 residues pruned to eliminate duplicates Z: 46 23.140 1.988 0.686 0.415 0.844 0.422 CB 1.332 46 residues pruned to eliminate duplicates Z: 16 10.092 1.904 0.416 0.223 0.933 0.533 CB 1.433 16 residues pruned to eliminate duplicates Z: 49 31.449 2.093 0.686 0.492 0.875 0.562 CB 1.481 49 residues pruned to eliminate duplicates Z: 15 18.619 1.995 0.569 0.700 0.929 0.571 CB 1.427 15 residues pruned to eliminate duplicates Z: 56 28.338 2.075 0.522 0.479 0.945 0.509 CB 1.308 56 residues pruned to eliminate duplicates Z: 15 21.685 2.008 0.898 0.715 0.929 0.643 CB 1.347 14 residues pruned to eliminate duplicates Z: 14 32.423 2.023 0.949 0.881 1.000 0.692 CA 1.651 14 residues pruned to eliminate duplicates Z: 15 30.990 1.991 0.883 0.865 1.000 0.786 CA 1.618 15 residues pruned to eliminate duplicates Z: 14 25.860 1.979 0.795 0.819 0.923 0.538 CA 1.658 14 residues pruned to eliminate duplicates Z: 42 29.512 2.136 0.580 0.525 0.927 0.561 CB 1.438 42 residues pruned to eliminate duplicates Z: 14 22.201 2.046 0.814 0.718 0.846 0.692 CA 1.610 14 residues pruned to eliminate duplicates Z: 13 26.582 2.153 0.936 0.731 0.917 0.500 CB 1.631 14 residues pruned to eliminate duplicates Z: 14 31.123 2.033 0.951 0.881 0.923 0.385 CB 1.708 14 residues pruned to eliminate duplicates Z: 27 18.310 1.928 0.645 0.565 0.846 0.423 CB 1.256 48 residues pruned to eliminate duplicates Z: 11 5.665 1.643 0.402 0.572 0.800 0.600 CB 0.907 11 residues pruned to eliminate duplicates Z: 20 6.884 1.680 0.435 0.417 0.789 0.421 CB 0.905 20 residues pruned to eliminate duplicates Z: 36 17.353 1.779 0.497 0.666 0.857 0.543 CB 1.103 36 residues pruned to eliminate duplicates Z: 36 16.616 1.727 0.564 0.638 0.914 0.457 CB 0.999 36 residues pruned to eliminate duplicates Z: 10 6.897 1.666 0.513 0.466 0.778 0.667 CB 1.213 10 residues pruned to eliminate duplicates Z: 16 6.970 1.603 0.449 0.409 0.733 0.467 CB 1.163 16 residues pruned to eliminate duplicates Z: 39 23.318 1.778 0.653 0.701 0.921 0.579 CB 1.163 39 residues pruned to eliminate duplicates Z: 14 8.041 1.813 0.572 0.402 0.769 0.615 CB 1.127 14 residues pruned to eliminate duplicates Z: 37 23.163 1.747 0.765 0.696 0.972 0.444 CB 1.077 38 residues pruned to eliminate duplicates Z: 11 12.569 1.651 0.727 0.872 0.900 0.500 CB 1.129 13 residues pruned to eliminate duplicates Z: 10 12.349 1.689 0.598 0.865 1.000 0.778 CB 1.117 10 residues pruned to eliminate duplicates Z: 10 13.139 1.757 0.530 0.869 1.000 0.889 CB 1.190 11 residues pruned to eliminate duplicates Z: 12 10.147 1.480 0.564 0.770 0.909 0.636 CB 1.144 11 residues pruned to eliminate duplicates Z: 11 8.675 1.614 0.663 0.791 0.800 0.600 CB 0.989 11 residues pruned to eliminate duplicates Z: 11 8.781 1.672 0.496 0.637 0.800 0.500 CB 1.220 11 residues pruned to eliminate duplicates Z: 8 10.289 1.672 0.414 0.753 1.000 0.857 CB 1.313 8 residues pruned to eliminate duplicates Z: 12 12.688 1.699 0.420 0.819 1.000 0.818 CB 1.202 12 residues pruned to eliminate duplicates Z: 9 12.679 1.796 0.437 0.887 1.000 1.000 CB 1.253 9 residues pruned to eliminate duplicates Z: 7 7.118 1.612 0.812 0.524 0.833 0.667 N 1.166 Z: 10 13.105 1.979 0.209 0.880 1.000 0.778 CB 1.323 10 residues pruned to eliminate duplicates Z: 11 9.159 1.837 0.440 0.582 0.900 0.900 CB 1.125 11 residues pruned to eliminate duplicates Z: 13 11.987 1.788 0.240 0.631 1.000 0.500 O 1.381 13 residues pruned to eliminate duplicates Z: 11 11.573 1.799 0.300 0.607 1.000 0.800 CB 1.413 11 residues pruned to eliminate duplicates Z: 13 8.559 1.778 0.202 0.550 0.833 0.333 CB 1.322 13 residues pruned to eliminate duplicates Z: 9 11.725 1.968 0.188 0.841 1.000 0.500 CB 1.322 9 residues pruned to eliminate duplicates Z: 12 12.465 1.951 0.457 0.729 0.818 0.636 CB 1.315 12 residues pruned to eliminate duplicates Z: 11 15.351 1.960 0.873 0.841 0.800 0.600 CB 1.232 11 residues pruned to eliminate duplicates Z: 18 13.101 1.699 0.606 0.654 0.824 0.529 CB 1.225 18 residues pruned to eliminate duplicates Z: 12 15.198 1.841 0.746 0.913 0.909 0.727 CB 1.110 12 residues pruned to eliminate duplicates Z: 7 3.360 1.391 0.243 0.411 0.833 0.500 N 1.045 Z: 8 10.252 1.647 0.478 0.743 1.000 0.571 CB 1.281 8 residues pruned to eliminate duplicates Z: 10 5.876 1.551 0.256 0.573 0.889 0.556 CB 1.054 10 residues pruned to eliminate duplicates Z: 7 8.233 1.712 0.265 0.832 1.000 0.833 N 1.165 8 residues pruned to eliminate duplicates Z: 7 6.237 1.509 0.430 0.777 0.833 0.667 N 1.108 7 residues pruned to eliminate duplicates Z: 12 9.237 1.925 0.763 0.294 0.909 0.455 CB 1.136 9 residues pruned to eliminate duplicates Z: 15 19.962 1.858 0.656 0.902 0.929 0.857 CB 1.332 15 residues pruned to eliminate duplicates Z: 33 35.242 2.007 0.545 0.791 1.000 0.781 CB 1.556 33 residues pruned to eliminate duplicates Z: 22 20.822 1.801 0.657 0.748 0.952 0.762 CB 1.281 22 residues pruned to eliminate duplicates Z: 19 22.160 1.872 0.713 0.866 0.944 0.889 CB 1.262 19 residues pruned to eliminate duplicates Z: 36 28.909 1.880 0.701 0.718 0.914 0.657 CB 1.372 36 residues pruned to eliminate duplicates Z: 16 23.164 1.942 0.686 0.787 1.000 0.733 CB 1.420 16 residues pruned to eliminate duplicates Z: 38 29.108 1.933 0.451 0.742 0.919 0.622 CB 1.495 38 residues pruned to eliminate duplicates Z: 24 23.917 1.892 0.446 0.888 0.957 0.826 CB 1.372 24 residues pruned to eliminate duplicates Z: 50 25.505 1.821 0.436 0.618 0.959 0.571 CB 1.299 48 residues pruned to eliminate duplicates Z: 25 24.471 1.857 0.569 0.840 0.917 0.750 CB 1.396 25 residues pruned to eliminate duplicates Z: 18 26.427 1.864 1.013 0.763 0.941 0.647 CA 1.437 18 residues pruned to eliminate duplicates Z: 27 27.708 2.052 0.687 0.715 0.885 0.615 CB 1.460 27 residues pruned to eliminate duplicates Z: 36 37.381 1.994 0.801 0.786 0.971 0.543 CB 1.409 36 residues pruned to eliminate duplicates Z: 37 36.888 1.983 0.767 0.762 0.972 0.611 CB 1.430 37 residues pruned to eliminate duplicates Z: 36 39.205 2.001 0.891 0.764 0.971 0.486 CB 1.427 36 residues pruned to eliminate duplicates Z: 26 20.669 1.882 0.758 0.475 0.920 0.520 CB 1.393 26 residues pruned to eliminate duplicates Z: 27 21.716 1.953 0.517 0.578 0.885 0.500 CB 1.506 27 residues pruned to eliminate duplicates Z: 35 32.920 1.950 0.919 0.739 0.882 0.500 CB 1.380 35 residues pruned to eliminate duplicates Z: 31 25.619 1.991 0.691 0.641 0.833 0.500 CB 1.462 31 residues pruned to eliminate duplicates Z: 36 31.469 1.992 0.722 0.738 0.886 0.457 CB 1.414 36 residues pruned to eliminate duplicates Z: 36 35.435 1.980 0.829 0.765 0.914 0.486 CB 1.430 36 residues pruned to eliminate duplicates Z: 37 30.547 1.932 0.945 0.718 0.833 0.361 CB 1.334 37 residues pruned to eliminate duplicates Z: 27 37.764 2.056 0.898 0.761 0.923 0.423 CB 1.631 27 residues pruned to eliminate duplicates Z: 34 29.540 1.999 0.747 0.663 0.879 0.576 CB 1.441 34 residues pruned to eliminate duplicates Z: 24 12.450 1.822 0.478 0.396 0.739 0.391 CB 1.456 24 residues pruned to eliminate duplicates Z: 35 34.107 1.992 0.822 0.762 0.912 0.471 CB 1.401 35 residues pruned to eliminate duplicates Z: 33 32.802 1.986 0.710 0.703 0.969 0.406 CB 1.465 33 residues pruned to eliminate duplicates Z: 32 32.354 2.020 0.736 0.668 0.935 0.516 CB 1.517 32 residues pruned to eliminate duplicates Z: 27 27.810 2.019 0.699 0.694 0.923 0.423 CB 1.442 27 residues pruned to eliminate duplicates Z: 27 24.040 1.894 0.559 0.693 0.962 0.538 CB 1.391 28 residues pruned to eliminate duplicates Z: 15 27.263 2.076 0.698 0.871 0.929 0.786 CA 1.623 15 residues pruned to eliminate duplicates Z: 70 38.398 2.051 0.576 0.566 0.942 0.623 CB 1.425 68 residues pruned to eliminate duplicates Z: 16 26.956 2.058 0.624 0.860 0.933 0.733 CA 1.641 16 residues pruned to eliminate duplicates Z: 18 29.360 2.113 0.726 0.779 0.941 0.647 CB 1.621 18 residues pruned to eliminate duplicates Z: 17 30.267 2.069 0.881 0.800 0.938 0.500 CB 1.595 17 residues pruned to eliminate duplicates Z: 25 27.732 2.077 0.629 0.725 0.958 0.625 CB 1.425 25 residues pruned to eliminate duplicates Z: 27 25.793 2.004 0.653 0.672 0.923 0.692 CB 1.411 27 residues pruned to eliminate duplicates Z: 27 30.792 2.008 0.742 0.695 0.962 0.654 CB 1.503 27 residues pruned to eliminate duplicates Z: 27 29.543 2.005 0.660 0.691 0.962 0.808 CB 1.521 27 residues pruned to eliminate duplicates Z: 26 31.468 2.048 0.799 0.699 0.960 0.600 CB 1.485 26 residues pruned to eliminate duplicates Z: 24 29.596 2.050 0.749 0.714 0.957 0.609 CB 1.483 24 residues pruned to eliminate duplicates Z: 26 29.181 2.074 0.743 0.712 0.920 0.600 CB 1.447 26 residues pruned to eliminate duplicates Z: 27 29.400 2.008 0.772 0.690 0.962 0.615 CB 1.416 27 residues pruned to eliminate duplicates Z: 28 25.677 2.001 0.656 0.670 0.889 0.741 CB 1.434 28 residues pruned to eliminate duplicates Z: 27 27.900 1.989 0.806 0.671 0.923 0.577 CB 1.409 27 residues pruned to eliminate duplicates Z: 27 26.969 2.024 0.762 0.702 0.885 0.615 CB 1.395 27 residues pruned to eliminate duplicates Z: 25 21.387 1.925 0.703 0.550 0.875 0.542 CB 1.449 25 residues pruned to eliminate duplicates Z: 27 26.917 1.974 0.730 0.730 0.923 0.654 CB 1.361 27 residues pruned to eliminate duplicates Z: 27 25.607 1.996 0.661 0.702 0.923 0.577 CB 1.365 27 residues pruned to eliminate duplicates Z: 28 30.745 2.009 0.785 0.662 0.963 0.593 CB 1.475 28 residues pruned to eliminate duplicates Z: 27 25.977 2.055 0.451 0.691 0.962 0.769 CB 1.493 27 residues pruned to eliminate duplicates Z: 12 8.215 1.779 0.111 0.604 0.818 0.636 CB 1.387 12 residues pruned to eliminate duplicates Z: 11 7.082 1.863 0.220 0.557 0.900 0.700 CB 1.036 11 residues pruned to eliminate duplicates Z: 39 51.672 2.218 1.036 0.753 0.974 0.816 CB 1.521 39 residues pruned to eliminate duplicates Z: 33 40.637 2.211 0.780 0.761 0.938 0.781 CB 1.544 33 residues pruned to eliminate duplicates Z: 59 38.562 2.116 0.776 0.508 0.897 0.552 CB 1.491 59 residues pruned to eliminate duplicates Z: 31 43.414 2.192 0.959 0.781 0.967 0.800 CB 1.491 31 residues pruned to eliminate duplicates Z: 38 52.607 2.214 1.149 0.752 0.919 0.649 CB 1.580 38 residues pruned to eliminate duplicates Z: 56 49.983 2.198 0.942 0.605 0.891 0.655 CB 1.604 56 residues pruned to eliminate duplicates Z: 35 45.171 2.191 0.976 0.766 0.912 0.765 CB 1.550 35 residues pruned to eliminate duplicates Z: 35 48.441 2.195 1.041 0.744 0.971 0.647 CB 1.535 35 residues pruned to eliminate duplicates Z: 39 38.326 2.164 0.752 0.688 0.921 0.658 CB 1.499 39 residues pruned to eliminate duplicates Z: 39 43.884 2.180 1.021 0.710 0.895 0.684 CB 1.492 39 residues pruned to eliminate duplicates Z: 39 49.860 2.174 1.055 0.696 0.947 0.526 CB 1.598 39 residues pruned to eliminate duplicates Z: 64 36.534 2.051 0.869 0.489 0.825 0.556 CB 1.472 64 residues pruned to eliminate duplicates Z: 23 28.945 2.244 1.166 0.516 0.773 0.409 CB 1.618 23 residues pruned to eliminate duplicates Z: 43 33.449 2.088 1.024 0.552 0.786 0.452 CB 1.477 43 residues pruned to eliminate duplicates Z: 9 2.992 1.568 0.511 0.452 0.750 0.375 CB 0.625 8 residues pruned to eliminate duplicates Z: 10 4.032 1.367 0.639 0.648 0.667 0.222 CB 0.784 10 residues pruned to eliminate duplicates Z: 9 2.418 1.426 0.325 0.398 0.750 0.375 CB 0.672 9 residues pruned to eliminate duplicates Z: 11 11.138 1.738 0.448 0.691 0.900 0.800 CB 1.305 11 residues pruned to eliminate duplicates Z: 13 10.010 1.737 0.175 0.717 0.917 0.750 CB 1.268 13 residues pruned to eliminate duplicates Z: 12 9.274 1.790 0.098 0.785 0.909 0.727 CB 1.217 12 residues pruned to eliminate duplicates Z: 13 10.720 1.718 0.408 0.714 0.917 0.500 CB 1.149 13 residues pruned to eliminate duplicates Z: 13 10.185 1.754 0.303 0.741 0.833 0.583 CB 1.244 13 residues pruned to eliminate duplicates Z: 13 11.163 1.749 0.154 0.803 0.917 0.833 CB 1.337 13 residues pruned to eliminate duplicates Z: 13 12.736 1.779 0.196 0.780 1.000 0.917 CB 1.350 13 residues pruned to eliminate duplicates Z: 12 10.667 1.743 0.436 0.841 0.818 0.727 CB 1.172 12 residues pruned to eliminate duplicates Z: 20 19.633 1.760 0.655 0.767 1.000 0.789 CA 1.221 20 residues pruned to eliminate duplicates Z: 18 25.300 1.884 0.744 0.901 1.000 0.765 CB 1.333 18 residues pruned to eliminate duplicates Z: 19 20.218 1.821 0.731 0.783 0.889 0.611 CB 1.326 19 residues pruned to eliminate duplicates Z: 19 24.437 1.850 0.823 0.818 1.000 0.833 CB 1.295 19 residues pruned to eliminate duplicates Z: 19 22.232 1.806 0.755 0.832 0.944 0.722 CB 1.314 19 residues pruned to eliminate duplicates Z: 21 21.018 1.826 0.667 0.777 0.950 0.700 CB 1.273 21 residues pruned to eliminate duplicates Z: 20 20.398 1.790 0.632 0.758 1.000 0.632 CA 1.274 20 residues pruned to eliminate duplicates Z: 20 23.133 1.843 0.831 0.791 1.000 0.947 CB 1.218 20 residues pruned to eliminate duplicates Z: 30 19.171 1.762 0.609 0.642 0.931 0.517 CB 1.181 30 residues pruned to eliminate duplicates Z: 32 20.081 1.721 0.687 0.610 0.968 0.387 CB 1.157 32 residues pruned to eliminate duplicates Z: 28 12.235 1.698 0.435 0.520 0.815 0.444 CB 1.163 28 residues pruned to eliminate duplicates Z: 12 14.238 1.889 0.752 0.871 0.909 0.455 CB 1.041 12 residues pruned to eliminate duplicates Z: 28 17.620 1.750 0.590 0.696 0.926 0.593 CB 1.100 28 residues pruned to eliminate duplicates Z: 20 19.972 1.766 0.929 0.816 0.895 0.526 CB 1.142 20 residues pruned to eliminate duplicates Z: 21 20.094 1.836 0.815 0.791 0.900 0.400 CB 1.160 21 residues pruned to eliminate duplicates Z: 8 3.069 1.503 0.323 0.266 0.857 0.429 CB 0.889 Z: 13 34.902 2.126 1.248 0.900 1.000 0.583 CA 1.506 13 residues pruned to eliminate duplicates Z: 40 60.941 2.329 1.071 0.759 0.974 0.769 CB 1.649 40 residues pruned to eliminate duplicates Z: 40 55.191 2.273 0.931 0.782 1.000 0.744 CA 1.570 40 residues pruned to eliminate duplicates Z: 59 65.429 2.230 0.931 0.781 0.966 0.741 CB 1.614 58 residues pruned to eliminate duplicates Z: 12 34.633 2.251 1.245 0.881 1.000 0.545 CB 1.497 12 residues pruned to eliminate duplicates Z: 60 56.348 2.156 0.866 0.745 0.949 0.746 CA 1.543 60 residues pruned to eliminate duplicates Z: 12 32.092 2.244 1.268 0.888 0.909 0.636 CA 1.506 12 residues pruned to eliminate duplicates Z: 21 34.970 2.051 1.320 0.624 0.900 0.550 CB 1.625 21 residues pruned to eliminate duplicates Z: 17 43.085 2.220 1.530 0.712 1.000 0.438 CB 1.582 17 residues pruned to eliminate duplicates Z: 18 15.862 1.953 0.431 0.715 0.824 0.647 CA 1.375 18 residues pruned to eliminate duplicates Z: 19 20.518 1.942 0.456 0.774 0.889 0.611 CA 1.511 19 residues pruned to eliminate duplicates Z: 17 15.665 1.863 0.328 0.654 0.875 0.688 CA 1.567 17 residues pruned to eliminate duplicates Z: 20 13.166 1.815 0.344 0.677 0.789 0.684 CA 1.333 20 residues pruned to eliminate duplicates Z: 31 13.681 1.758 0.491 0.443 0.867 0.533 CB 1.166 26 residues pruned to eliminate duplicates Z: 18 19.253 1.863 0.394 0.848 0.941 0.647 CA 1.417 18 residues pruned to eliminate duplicates Z: 19 20.373 1.901 0.488 0.771 0.944 0.556 CA 1.414 19 residues pruned to eliminate duplicates Z: 23 16.992 1.860 0.472 0.604 0.864 0.545 CA 1.388 23 residues pruned to eliminate duplicates Z: 21 23.337 1.892 0.719 0.698 0.900 0.600 CA 1.488 21 residues pruned to eliminate duplicates Z: 30 25.415 1.839 0.700 0.642 0.931 0.483 CA 1.419 35 residues pruned to eliminate duplicates Z: 17 23.539 1.979 0.671 0.837 0.875 0.750 CA 1.521 17 residues pruned to eliminate duplicates Z: 22 19.761 1.857 0.639 0.657 0.857 0.667 CA 1.429 22 residues pruned to eliminate duplicates Z: 25 21.829 1.806 0.657 0.607 0.958 0.500 CB 1.403 25 residues pruned to eliminate duplicates Z: 32 21.318 1.806 0.745 0.601 0.839 0.548 CA 1.316 32 residues pruned to eliminate duplicates Z: 18 22.685 1.861 0.851 0.807 0.824 0.471 CB 1.483 18 residues pruned to eliminate duplicates Z: 21 23.715 1.891 0.649 0.713 0.900 0.650 CB 1.557 21 residues pruned to eliminate duplicates Z: 9 6.711 1.694 0.345 0.480 0.875 0.875 CB 1.214 10 residues pruned to eliminate duplicates 6 1.562 1.202 0.541 0.270 0.800 0.800 CA 0.612 ? Z: 7 11.818 1.922 0.830 0.513 1.000 0.500 CA 1.354 7 residues pruned to eliminate duplicates Z: 17 17.425 2.304 0.676 0.303 0.812 0.500 CA 1.730 17 residues pruned to eliminate duplicates Z: 37 20.688 2.031 0.677 0.323 0.889 0.472 CB 1.384 37 residues pruned to eliminate duplicates Z: 31 22.041 2.103 0.569 0.314 0.967 0.533 CB 1.550 31 residues pruned to eliminate duplicates Z: 30 19.552 2.128 0.619 0.275 0.897 0.483 CB 1.516 30 residues pruned to eliminate duplicates Z: 20 20.336 2.242 0.726 0.286 0.947 0.526 CA 1.618 20 residues pruned to eliminate duplicates Z: 60 49.814 2.217 0.893 0.562 0.932 0.729 CB 1.561 60 residues pruned to eliminate duplicates Z: 32 17.742 2.000 0.496 0.375 0.839 0.484 CB 1.451 32 residues pruned to eliminate duplicates Z: 29 19.658 2.080 0.653 0.412 0.857 0.393 CB 1.383 29 residues pruned to eliminate duplicates Z: 30 21.574 2.154 0.678 0.251 0.966 0.379 CA 1.529 30 residues pruned to eliminate duplicates Z: 17 21.364 2.351 0.722 0.310 0.938 0.375 CB 1.736 17 residues pruned to eliminate duplicates Z: 29 22.558 2.160 0.814 0.265 0.929 0.393 CA 1.531 29 residues pruned to eliminate duplicates Z: 30 21.327 2.117 0.644 0.292 0.931 0.414 CB 1.545 30 residues pruned to eliminate duplicates Z: 27 18.159 2.166 0.684 0.264 0.846 0.462 CA 1.511 27 residues pruned to eliminate duplicates Z: 28 25.882 2.166 0.778 0.319 1.000 0.444 CA 1.580 28 residues pruned to eliminate duplicates Z: 32 20.855 2.128 0.686 0.254 0.935 0.452 CB 1.480 32 residues pruned to eliminate duplicates Z: 23 12.522 2.149 0.498 0.223 0.818 0.318 CB 1.403 23 residues pruned to eliminate duplicates Z: 26 17.525 2.097 0.698 0.223 0.880 0.320 CB 1.548 26 residues pruned to eliminate duplicates Z: 26 17.160 1.994 0.880 0.275 0.800 0.480 CA 1.475 26 residues pruned to eliminate duplicates Z: 27 20.483 2.065 0.599 0.368 0.885 0.385 CA 1.584 27 residues pruned to eliminate duplicates Z: 8 15.049 1.958 0.701 0.569 1.000 0.571 CA 1.598 8 residues pruned to eliminate duplicates Z: 74 60.004 2.214 0.800 0.633 0.904 0.658 CB 1.720 42 residues pruned to eliminate duplicates Z: 30 47.611 2.244 0.746 0.915 0.966 0.828 CA 1.652 30 residues pruned to eliminate duplicates Z: 41 59.775 2.336 0.977 0.741 1.000 0.700 CB 1.649 17 residues pruned to eliminate duplicates Z: 30 55.467 2.232 0.930 0.906 1.000 0.759 CA 1.700 25 residues pruned to eliminate duplicates Z: 23 55.424 2.339 1.080 0.927 0.955 0.818 CA 1.783 23 residues pruned to eliminate duplicates Z: 48 59.863 2.235 1.089 0.723 0.915 0.596 CB 1.671 48 residues pruned to eliminate duplicates Z: 61 66.897 2.168 1.146 0.752 0.933 0.783 CB 1.588 61 residues pruned to eliminate duplicates Z: 57 69.789 2.209 0.969 0.812 0.982 0.732 CA 1.665 57 residues pruned to eliminate duplicates Z: 47 70.943 2.273 1.216 0.776 0.957 0.739 CB 1.701 44 residues pruned to eliminate duplicates Z: 30 62.848 2.268 1.139 0.941 1.000 0.862 CA 1.670 30 residues pruned to eliminate duplicates Z: 54 62.868 2.250 0.968 0.784 0.943 0.736 CB 1.611 54 residues pruned to eliminate duplicates Z: 111 68.321 2.234 0.839 0.645 0.891 0.518 CB 1.554 111 residues pruned to eliminate duplicates Z: 43 61.918 2.227 1.202 0.750 0.952 0.476 CB 1.637 43 residues pruned to eliminate duplicates Z: 47 67.621 2.239 1.211 0.788 0.978 0.674 CB 1.598 47 residues pruned to eliminate duplicates Z: 58 65.246 2.192 0.984 0.802 0.982 0.702 CB 1.553 48 residues pruned to eliminate duplicates Z: 24 53.706 2.272 1.202 0.901 0.913 0.522 CA 1.751 24 residues pruned to eliminate duplicates Z: 62 61.827 2.174 1.003 0.768 0.918 0.656 CB 1.563 61 residues pruned to eliminate duplicates Z: 30 59.226 2.256 1.047 0.927 0.966 0.690 CA 1.729 30 residues pruned to eliminate duplicates Z: 59 67.097 2.197 0.999 0.781 0.966 0.724 CB 1.622 59 residues pruned to eliminate duplicates Z: 59 66.154 2.193 1.059 0.784 0.931 0.655 CB 1.609 59 residues pruned to eliminate duplicates Z: 23 52.948 2.235 1.143 0.942 0.909 0.591 CA 1.797 23 residues pruned to eliminate duplicates Z: 63 62.150 2.153 1.093 0.742 0.952 0.645 CB 1.481 63 residues pruned to eliminate duplicates Z: 46 66.614 2.266 1.270 0.785 0.911 0.444 CB 1.649 46 residues pruned to eliminate duplicates Z: 24 29.632 2.050 0.994 0.714 0.826 0.435 CB 1.508 24 residues pruned to eliminate duplicates Z: 49 29.459 2.076 0.590 0.522 0.812 0.417 CB 1.551 49 residues pruned to eliminate duplicates Z: 51 62.587 2.172 1.236 0.728 0.960 0.460 CB 1.546 51 residues pruned to eliminate duplicates Z: 59 64.922 2.207 0.969 0.782 0.966 0.552 CB 1.585 59 residues pruned to eliminate duplicates Z: 73 42.429 2.113 0.881 0.582 0.792 0.347 CB 1.469 57 residues pruned to eliminate duplicates Z: 30 62.364 2.272 1.268 0.933 0.931 0.586 CB 1.684 37 residues pruned to eliminate duplicates Z: 16 29.136 2.054 1.062 0.855 0.867 0.533 CB 1.512 16 residues pruned to eliminate duplicates Z: 13 13.627 1.821 0.421 0.821 0.917 0.750 CB 1.255 13 residues pruned to eliminate duplicates Z: 11 19.232 1.993 0.641 0.832 1.000 0.600 CB 1.396 12 residues pruned to eliminate duplicates Z: 12 13.088 1.916 0.289 0.844 0.909 0.727 CB 1.308 12 residues pruned to eliminate duplicates Z: 58 62.631 2.194 1.074 0.776 0.930 0.596 CB 1.537 58 residues pruned to eliminate duplicates Z: 60 65.471 2.201 1.165 0.780 0.932 0.559 CB 1.499 60 residues pruned to eliminate duplicates Z: 14 10.863 1.744 0.537 0.824 0.923 0.462 CB 0.920 14 residues pruned to eliminate duplicates Z: 56 55.774 2.133 1.165 0.804 0.891 0.327 CB 1.402 43 residues pruned to eliminate duplicates Z: 12 16.415 1.987 0.537 0.882 1.000 0.545 CB 1.173 12 residues pruned to eliminate duplicates Z: 60 58.051 2.217 1.048 0.767 0.864 0.559 CB 1.520 60 residues pruned to eliminate duplicates Z: 24 22.721 1.929 0.618 0.674 0.913 0.522 CB 1.416 24 residues pruned to eliminate duplicates Z: 14 17.385 1.867 0.591 0.744 0.923 0.385 CB 1.413 14 residues pruned to eliminate duplicates Z: 10 13.637 2.094 0.815 0.526 0.778 0.444 CB 1.499 10 residues pruned to eliminate duplicates Z: 9 10.655 2.089 0.762 0.561 0.625 0.500 CA 1.542 9 residues pruned to eliminate duplicates Z: 11 13.587 1.894 0.738 0.589 0.900 0.600 CB 1.331 8 residues pruned to eliminate duplicates Z: 9 21.565 2.041 0.749 0.867 1.000 0.875 CA 1.562 11 residues pruned to eliminate duplicates Z: 28 35.323 1.900 0.829 0.923 1.000 0.852 CB 1.374 29 residues pruned to eliminate duplicates Z: 19 30.257 2.059 0.946 0.913 0.944 0.833 CB 1.334 19 residues pruned to eliminate duplicates Z: 33 47.631 2.229 1.101 0.771 0.906 0.750 CB 1.561 33 residues pruned to eliminate duplicates Z: 32 47.570 2.246 1.044 0.737 0.968 0.645 CB 1.555 32 residues pruned to eliminate duplicates Z: 32 44.707 2.084 1.210 0.725 0.935 0.613 CB 1.521 32 residues pruned to eliminate duplicates Z: 35 41.299 2.175 1.050 0.702 0.912 0.676 CB 1.449 35 residues pruned to eliminate duplicates Z: 33 54.323 2.250 1.130 0.730 1.000 0.688 CA 1.629 33 residues pruned to eliminate duplicates Z: 21 31.850 2.016 1.291 0.738 0.950 0.700 CB 1.311 21 residues pruned to eliminate duplicates Z: 20 34.132 2.121 1.178 0.815 0.947 0.684 CB 1.360 20 residues pruned to eliminate duplicates Z: 37 49.635 2.179 1.235 0.731 0.917 0.583 CB 1.505 37 residues pruned to eliminate duplicates Z: 8 8.022 1.874 0.659 0.381 0.857 0.571 N 1.291 Z: 6 4.393 1.527 0.593 0.413 1.000 0.600 N 0.885 Z: 8 20.277 2.121 0.833 0.781 1.000 0.714 CB 1.539 Z: 9 19.793 2.117 0.600 0.835 1.000 0.500 CB 1.547 8 residues pruned to eliminate duplicates Z: 9 16.812 1.979 0.675 0.815 1.000 0.625 CB 1.363 9 residues pruned to eliminate duplicates Z: 19 17.239 2.130 0.854 0.540 0.778 0.389 CB 1.272 10 residues pruned to eliminate duplicates Z: 9 18.090 2.086 0.875 0.700 1.000 0.375 CB 1.363 9 residues pruned to eliminate duplicates Z: 13 13.156 1.864 0.853 0.508 0.833 0.250 CB 1.309 13 residues pruned to eliminate duplicates Z: 11 15.568 1.947 0.661 0.659 0.900 0.500 CB 1.460 11 residues pruned to eliminate duplicates 1053 residues left after pruning, divided into chains as follows: A: 7 B: 8 C: 7 D: 12 E: 6 F: 6 G: 7 H: 7 I: 16 J: 15 K: 18 L: 50 M: 14 N: 9 O: 15 P: 26 Q: 36 R: 24 S: 96 T: 11 U: 20 V: 85 W: 129 X: 13 Y: 126 Z: 73 Z: 29 Z: 99 Z: 18 Z: 34 Z: 37 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 31.08 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.498, Connect. = 0.730 for dens.mod. cycle 1 = 0.300, Contrast = 0.568, Connect. = 0.749 for dens.mod. cycle 2 = 0.300, Contrast = 0.668, Connect. = 0.779 for dens.mod. cycle 3 = 0.300, Contrast = 0.671, Connect. = 0.780 for dens.mod. cycle 4 = 0.300, Contrast = 0.676, Connect. = 0.781 for dens.mod. cycle 5 = 0.300, Contrast = 0.677, Connect. = 0.782 for dens.mod. cycle 6 = 0.300, Contrast = 0.680, Connect. = 0.783 for dens.mod. cycle 7 = 0.300, Contrast = 0.681, Connect. = 0.784 for dens.mod. cycle 8 = 0.300, Contrast = 0.682, Connect. = 0.785 for dens.mod. cycle 9 = 0.300, Contrast = 0.682, Connect. = 0.786 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 7509 peaks > 0.5 sigma used to seed fragment search Space for about 1933 unique residues taking solvent into account 1686 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 31 51.007 2.295 0.743 0.927 1.000 0.800 CA 1.632 B: 14 30.565 2.233 0.823 0.889 0.923 0.923 CA 1.624 C: 12 35.575 2.335 1.070 0.908 0.909 0.727 CA 1.733 D: 13 20.188 1.974 0.488 0.749 1.000 0.750 CA 1.589 E: 13 32.948 2.217 0.888 0.888 1.000 0.750 CA 1.637 13 residues pruned to eliminate duplicates F: 13 24.848 2.207 0.666 0.876 0.917 0.750 CA 1.546 13 residues pruned to eliminate duplicates G: 31 43.657 2.272 0.513 0.919 1.000 0.833 CA 1.635 31 residues pruned to eliminate duplicates H: 13 36.949 2.430 0.903 0.902 1.000 0.750 CB 1.645 14 residues pruned to eliminate duplicates I: 13 29.061 2.176 0.802 0.903 0.917 0.833 CB 1.664 13 residues pruned to eliminate duplicates J: 28 32.643 1.970 0.714 0.917 1.000 0.741 CB 1.313 K: 11 20.553 2.164 0.665 0.731 0.900 0.700 CB 1.627 13 residues pruned to eliminate duplicates L: 28 53.542 2.281 0.854 0.944 0.963 0.889 CA 1.752 M: 17 19.805 1.956 0.632 0.781 0.875 0.625 CB 1.383 N: 8 25.597 2.371 0.662 0.886 1.000 0.714 CA 1.772 O: 31 34.311 2.242 0.305 0.920 1.000 0.867 CA 1.508 31 residues pruned to eliminate duplicates P: 11 20.683 2.178 0.615 0.807 0.900 0.800 CB 1.581 11 residues pruned to eliminate duplicates Q: 12 28.989 2.319 0.643 0.861 1.000 0.909 CA 1.685 12 residues pruned to eliminate duplicates R: 26 50.161 2.313 0.850 0.935 1.000 0.880 CA 1.635 26 residues pruned to eliminate duplicates S: 11 24.281 2.146 0.507 0.835 1.000 0.800 CA 1.778 T: 31 43.002 2.266 0.591 0.906 1.000 0.933 CA 1.549 31 residues pruned to eliminate duplicates U: 14 24.614 2.039 0.730 0.870 0.923 0.308 CB 1.531 V: 14 27.542 2.022 0.736 0.845 1.000 0.538 CA 1.618 W: 14 35.741 2.228 1.372 0.892 0.923 0.692 CB 1.460 14 residues pruned to eliminate duplicates X: 11 24.059 2.143 0.746 0.787 1.000 1.000 CB 1.580 11 residues pruned to eliminate duplicates Y: 7 14.467 2.095 0.774 0.782 1.000 0.833 CA 1.240 7 residues pruned to eliminate duplicates Z: 9 24.010 2.219 1.060 0.858 0.875 0.625 CB 1.563 Z: 14 21.323 2.094 0.797 0.840 0.923 0.692 CB 1.271 Z: 12 36.976 2.324 1.430 0.896 0.909 0.636 CB 1.556 12 residues pruned to eliminate duplicates Z: 13 29.732 2.210 0.706 0.900 1.000 0.917 CA 1.626 13 residues pruned to eliminate duplicates Z: 13 25.558 2.125 0.705 0.894 0.833 0.417 N 1.753 13 residues pruned to eliminate duplicates Z: 16 28.543 2.175 0.492 0.860 1.000 0.800 CA 1.670 Z: 7 16.664 1.808 0.831 0.840 1.000 0.833 CB 1.534 Z: 9 8.871 1.996 0.409 0.611 0.750 0.750 CB 1.338 Z: 29 49.550 2.146 0.949 0.902 0.964 0.643 CA 1.656 28 residues pruned to eliminate duplicates Z: 13 32.360 2.295 0.726 0.912 1.000 0.917 CA 1.670 13 residues pruned to eliminate duplicates Z: 9 13.141 2.027 0.317 0.707 1.000 0.750 CB 1.442 Z: 8 16.230 2.054 0.657 0.811 1.000 0.714 CB 1.375 8 residues pruned to eliminate duplicates Z: 13 31.660 2.199 0.768 0.935 1.000 0.667 CA 1.638 13 residues pruned to eliminate duplicates Z: 13 40.502 2.338 0.962 0.923 1.000 1.000 CB 1.792 13 residues pruned to eliminate duplicates Z: 11 27.429 2.266 0.980 0.892 1.000 0.700 CB 1.389 Z: 28 36.191 1.966 0.721 0.897 1.000 0.889 CB 1.474 28 residues pruned to eliminate duplicates Z: 8 16.309 1.993 0.646 0.799 1.000 0.714 N 1.447 8 residues pruned to eliminate duplicates Z: 14 23.197 1.989 0.678 0.911 0.923 0.385 CB 1.481 14 residues pruned to eliminate duplicates Z: 9 25.402 2.101 0.985 0.906 1.000 0.750 CB 1.531 8 residues pruned to eliminate duplicates Z: 32 46.760 2.057 0.896 0.911 0.935 0.710 CA 1.630 30 residues pruned to eliminate duplicates Z: 31 39.070 2.238 0.547 0.924 0.967 0.900 CA 1.496 31 residues pruned to eliminate duplicates Z: 17 23.190 2.001 0.509 0.868 0.938 0.750 CB 1.497 Z: 11 25.899 2.050 0.826 0.899 1.000 0.700 CB 1.564 Z: 29 58.699 2.245 1.082 0.913 1.000 0.821 CA 1.680 31 residues pruned to eliminate duplicates Z: 14 24.615 2.009 0.595 0.860 0.923 0.692 CA 1.697 14 residues pruned to eliminate duplicates Z: 8 14.569 1.894 0.734 0.796 0.857 0.714 CA 1.510 Z: 30 53.385 2.228 0.823 0.940 1.000 0.897 CA 1.695 30 residues pruned to eliminate duplicates Z: 8 15.995 2.074 0.623 0.854 0.857 0.857 CA 1.548 Z: 28 40.947 2.019 0.742 0.929 1.000 0.889 CB 1.568 26 residues pruned to eliminate duplicates Z: 64 55.663 2.302 0.812 0.626 0.905 0.667 CB 1.650 44 residues pruned to eliminate duplicates Z: 9 19.524 1.858 0.761 0.879 1.000 0.875 CA 1.530 9 residues pruned to eliminate duplicates Z: 28 39.596 2.012 0.742 0.939 1.000 1.000 CB 1.511 30 residues pruned to eliminate duplicates Z: 10 23.544 2.198 0.954 0.806 0.889 0.667 CA 1.575 9 residues pruned to eliminate duplicates Z: 23 53.115 2.295 0.934 0.928 1.000 0.864 CB 1.785 23 residues pruned to eliminate duplicates Z: 18 25.061 1.973 0.593 0.883 0.882 0.647 CA 1.585 18 residues pruned to eliminate duplicates Z: 19 39.784 2.238 0.927 0.932 0.944 0.611 CB 1.608 19 residues pruned to eliminate duplicates Z: 25 34.032 2.096 0.677 0.847 0.958 0.708 CB 1.530 Z: 14 35.396 2.300 1.127 0.849 0.923 0.462 CA 1.611 14 residues pruned to eliminate duplicates Z: 16 24.947 2.154 0.336 0.857 1.000 0.867 CA 1.650 16 residues pruned to eliminate duplicates Z: 9 12.915 2.045 0.400 0.649 1.000 1.000 CB 1.389 9 residues pruned to eliminate duplicates Z: 9 22.911 2.167 1.035 0.814 0.875 0.625 CA 1.598 9 residues pruned to eliminate duplicates Z: 40 39.190 2.149 0.798 0.708 0.846 0.667 CA 1.589 40 residues pruned to eliminate duplicates Z: 9 13.747 1.801 0.431 0.833 1.000 1.000 CA 1.415 9 residues pruned to eliminate duplicates Z: 9 24.332 2.254 1.077 0.864 0.875 0.875 CB 1.540 9 residues pruned to eliminate duplicates Z: 26 35.921 2.037 0.794 0.875 0.920 0.600 CB 1.553 25 residues pruned to eliminate duplicates Z: 28 47.794 2.247 0.677 0.951 1.000 0.926 CA 1.682 28 residues pruned to eliminate duplicates Z: 13 19.384 2.019 0.448 0.829 0.917 0.583 CA 1.571 12 residues pruned to eliminate duplicates Z: 12 25.667 2.085 0.679 0.820 1.000 0.545 CA 1.674 12 residues pruned to eliminate duplicates Z: 13 29.824 2.080 0.736 0.880 1.000 0.833 CA 1.728 14 residues pruned to eliminate duplicates Z: 9 8.908 1.899 0.122 0.798 0.750 0.625 CA 1.518 9 residues pruned to eliminate duplicates Z: 31 62.924 2.198 1.186 0.942 0.967 0.633 CB 1.714 29 residues pruned to eliminate duplicates Z: 13 35.784 2.267 0.836 0.913 1.000 0.667 CA 1.757 13 residues pruned to eliminate duplicates Z: 14 29.951 1.965 0.873 0.867 1.000 0.538 N 1.651 14 residues pruned to eliminate duplicates Z: 13 30.019 2.306 1.031 0.854 0.833 0.583 CB 1.640 13 residues pruned to eliminate duplicates Z: 13 41.119 2.217 1.348 0.889 1.000 0.583 CA 1.642 13 residues pruned to eliminate duplicates Z: 17 22.366 1.902 0.571 0.866 0.938 0.750 CA 1.461 Z: 17 21.607 1.917 0.447 0.860 0.938 0.812 CA 1.528 17 residues pruned to eliminate duplicates Z: 9 22.248 2.199 0.739 0.863 0.875 0.875 CA 1.724 9 residues pruned to eliminate duplicates Z: 13 9.309 1.931 0.812 0.349 0.667 0.333 CB 1.357 Z: 21 25.568 1.924 0.487 0.864 1.000 0.850 CA 1.464 20 residues pruned to eliminate duplicates Z: 35 40.947 2.027 0.708 0.904 0.912 0.735 CB 1.585 35 residues pruned to eliminate duplicates Z: 16 19.639 1.959 0.638 0.771 0.933 0.600 CB 1.333 14 residues pruned to eliminate duplicates Z: 16 25.195 2.067 0.511 0.902 0.933 0.667 CB 1.592 16 residues pruned to eliminate duplicates Z: 30 54.968 2.218 0.886 0.913 1.000 0.690 CA 1.727 30 residues pruned to eliminate duplicates Z: 32 47.951 2.208 0.693 0.937 1.000 0.871 CA 1.604 32 residues pruned to eliminate duplicates Z: 16 28.140 2.135 0.598 0.902 0.933 0.733 CB 1.628 16 residues pruned to eliminate duplicates Z: 15 24.641 2.129 0.726 0.895 0.786 0.500 CA 1.635 15 residues pruned to eliminate duplicates Z: 12 17.472 2.141 0.341 0.755 0.909 0.727 CB 1.609 12 residues pruned to eliminate duplicates Z: 10 15.288 1.919 0.357 0.833 1.000 0.667 CA 1.469 9 residues pruned to eliminate duplicates Z: 13 27.252 2.175 0.515 0.919 1.000 0.917 CB 1.682 13 residues pruned to eliminate duplicates Z: 14 30.317 2.279 0.526 0.923 0.923 0.923 CA 1.841 14 residues pruned to eliminate duplicates Z: 6 10.775 1.743 0.827 0.840 1.000 0.800 CA 1.129 Z: 15 26.566 2.231 0.388 0.897 0.929 0.857 CA 1.767 15 residues pruned to eliminate duplicates Z: 32 55.723 2.220 0.937 0.953 1.000 0.516 CB 1.601 32 residues pruned to eliminate duplicates Z: 11 28.849 2.012 1.091 0.903 1.000 0.800 CB 1.545 11 residues pruned to eliminate duplicates Z: 19 34.420 2.170 1.258 0.643 0.889 0.500 CA 1.630 16 residues pruned to eliminate duplicates Z: 9 11.816 1.999 0.441 0.699 0.750 0.500 CA 1.612 9 residues pruned to eliminate duplicates Z: 8 10.967 1.869 0.666 0.621 0.857 0.429 CA 1.386 Z: 20 24.148 2.192 0.549 0.631 0.947 0.684 CB 1.523 20 residues pruned to eliminate duplicates Z: 10 25.365 1.997 1.115 0.894 1.000 0.667 CA 1.435 9 residues pruned to eliminate duplicates Z: 11 23.366 2.003 1.077 0.882 1.000 0.800 CB 1.286 11 residues pruned to eliminate duplicates Z: 10 17.247 1.977 0.595 0.792 0.889 0.778 CB 1.588 Z: 8 22.533 2.273 0.876 0.884 0.857 0.571 CA 1.683 7 residues pruned to eliminate duplicates Z: 31 53.874 2.195 0.976 0.926 0.967 0.800 CA 1.645 31 residues pruned to eliminate duplicates Z: 20 26.892 2.078 0.642 0.826 0.895 0.632 CB 1.524 17 residues pruned to eliminate duplicates Z: 16 20.394 2.026 0.521 0.856 0.933 0.867 CB 1.351 Z: 29 26.800 2.166 0.631 0.538 0.929 0.714 CB 1.489 10 residues pruned to eliminate duplicates Z: 30 57.497 2.220 0.922 0.937 1.000 0.793 CA 1.741 30 residues pruned to eliminate duplicates Z: 14 33.077 2.308 1.162 0.800 0.846 0.692 CA 1.671 14 residues pruned to eliminate duplicates Z: 12 24.438 2.116 0.631 0.874 1.000 1.000 CB 1.554 11 residues pruned to eliminate duplicates Z: 16 23.598 1.991 0.791 0.780 0.933 0.600 CB 1.430 16 residues pruned to eliminate duplicates Z: 7 9.142 1.901 0.166 0.650 1.000 0.667 N 1.465 7 residues pruned to eliminate duplicates Z: 16 21.264 1.912 0.369 0.870 1.000 0.733 CA 1.532 16 residues pruned to eliminate duplicates Z: 15 27.079 1.958 0.659 0.919 1.000 0.786 CA 1.571 14 residues pruned to eliminate duplicates Z: 16 28.606 2.075 0.642 0.907 0.933 0.867 CB 1.650 17 residues pruned to eliminate duplicates Z: 18 28.759 1.977 0.818 0.935 0.882 0.706 CA 1.533 18 residues pruned to eliminate duplicates Z: 9 18.556 2.146 0.748 0.762 0.875 0.625 CB 1.584 9 residues pruned to eliminate duplicates Z: 9 19.712 2.031 0.817 0.900 0.875 0.750 N 1.541 9 residues pruned to eliminate duplicates Z: 28 55.410 2.226 1.026 0.915 1.000 0.815 CA 1.671 28 residues pruned to eliminate duplicates Z: 17 30.062 2.042 0.799 0.892 0.938 0.688 CB 1.569 16 residues pruned to eliminate duplicates Z: 8 11.105 2.154 0.207 0.686 1.000 0.857 CB 1.361 8 residues pruned to eliminate duplicates Z: 11 24.250 2.026 0.690 0.909 1.000 0.700 CB 1.589 11 residues pruned to eliminate duplicates Z: 15 25.924 2.178 0.402 0.921 0.929 0.857 CB 1.720 15 residues pruned to eliminate duplicates Z: 6 22.260 2.193 1.090 0.807 1.000 0.800 CA 1.661 Z: 12 23.262 2.292 0.372 0.878 1.000 0.909 CB 1.619 12 residues pruned to eliminate duplicates Z: 11 17.945 2.133 0.300 0.862 1.000 0.800 CB 1.502 Z: 23 32.120 2.013 0.653 0.904 0.955 0.682 CB 1.537 23 residues pruned to eliminate duplicates Z: 30 57.358 2.185 1.056 0.932 0.966 0.759 CA 1.714 30 residues pruned to eliminate duplicates Z: 11 28.596 2.175 0.626 0.912 1.000 0.800 CA 1.811 11 residues pruned to eliminate duplicates Z: 28 32.394 1.986 0.715 0.880 0.889 0.556 CB 1.492 Z: 9 15.884 2.085 0.462 0.767 0.875 0.750 CA 1.662 9 residues pruned to eliminate duplicates Z: 10 10.685 1.907 0.365 0.779 0.889 0.667 CB 1.204 11 residues pruned to eliminate duplicates Z: 32 50.822 2.145 0.913 0.909 1.000 0.774 CA 1.579 32 residues pruned to eliminate duplicates Z: 69 47.313 2.201 0.812 0.524 0.897 0.588 CB 1.566 62 residues pruned to eliminate duplicates Z: 6 9.059 1.731 0.603 0.697 0.800 0.600 CA 1.525 Z: 25 42.356 2.142 0.760 0.897 0.958 0.792 CA 1.713 25 residues pruned to eliminate duplicates Z: 15 36.517 2.200 1.034 0.885 0.929 0.571 CB 1.696 15 residues pruned to eliminate duplicates Z: 53 32.279 2.134 0.679 0.480 0.885 0.596 CB 1.441 26 residues pruned to eliminate duplicates Z: 22 35.774 2.071 0.784 0.928 1.000 0.952 CB 1.480 22 residues pruned to eliminate duplicates Z: 12 38.577 2.382 0.900 0.903 1.000 0.636 CA 1.832 12 residues pruned to eliminate duplicates Z: 12 19.768 2.066 0.523 0.898 1.000 0.909 CA 1.355 12 residues pruned to eliminate duplicates Z: 15 27.165 2.200 0.515 0.879 0.929 0.857 CA 1.701 15 residues pruned to eliminate duplicates Z: 11 9.124 1.870 0.433 0.760 0.700 0.600 CB 1.220 11 residues pruned to eliminate duplicates Z: 16 22.244 1.848 0.411 0.867 1.000 0.800 N 1.611 Z: 13 10.509 1.913 0.334 0.538 0.833 0.500 CB 1.374 Z: 23 30.470 2.069 0.439 0.915 0.955 0.773 CB 1.615 24 residues pruned to eliminate duplicates Z: 9 6.102 1.939 -0.016 0.578 1.000 0.625 CB 1.049 9 residues pruned to eliminate duplicates Z: 41 29.992 2.131 0.646 0.483 0.900 0.600 CB 1.529 28 residues pruned to eliminate duplicates Z: 6 9.687 1.804 0.569 0.749 1.000 1.000 N 1.225 6 residues pruned to eliminate duplicates Z: 31 51.356 2.298 0.726 0.947 1.000 0.833 CA 1.634 31 residues pruned to eliminate duplicates Z: 29 56.123 2.336 0.854 0.927 1.000 0.821 CA 1.716 30 residues pruned to eliminate duplicates Z: 12 25.374 2.126 0.751 0.880 1.000 0.727 CA 1.490 12 residues pruned to eliminate duplicates Z: 19 33.704 2.192 0.893 0.895 0.944 0.667 CB 1.453 19 residues pruned to eliminate duplicates Z: 14 27.914 2.224 0.487 0.908 0.923 0.923 CA 1.801 14 residues pruned to eliminate duplicates Z: 16 26.487 2.083 0.459 0.910 0.933 0.867 CB 1.710 16 residues pruned to eliminate duplicates Z: 15 31.551 2.207 0.734 0.895 0.929 0.714 CA 1.701 15 residues pruned to eliminate duplicates Z: 26 23.116 2.087 0.774 0.552 0.920 0.680 CB 1.290 18 residues pruned to eliminate duplicates Z: 22 32.147 2.140 0.494 0.911 0.952 0.857 CB 1.633 22 residues pruned to eliminate duplicates Z: 23 29.589 2.039 0.475 0.895 1.000 0.727 CB 1.504 22 residues pruned to eliminate duplicates Z: 14 25.644 2.055 0.967 0.771 0.923 0.769 CB 1.500 14 residues pruned to eliminate duplicates Z: 28 60.607 2.256 1.042 0.907 1.000 0.815 CB 1.800 28 residues pruned to eliminate duplicates Z: 13 20.853 2.014 0.699 0.869 0.917 0.917 CB 1.402 13 residues pruned to eliminate duplicates Z: 7 10.228 2.098 0.118 0.687 1.000 0.833 CB 1.499 7 residues pruned to eliminate duplicates Z: 17 29.380 2.067 0.805 0.816 0.938 0.625 CA 1.595 17 residues pruned to eliminate duplicates Z: 17 35.045 2.165 0.891 0.833 0.938 0.812 CB 1.714 17 residues pruned to eliminate duplicates Z: 30 45.029 2.266 0.630 0.932 1.000 0.862 CA 1.582 30 residues pruned to eliminate duplicates Z: 31 57.991 2.285 0.875 0.942 1.000 0.700 CB 1.713 31 residues pruned to eliminate duplicates Z: 53 33.645 2.161 0.755 0.471 0.865 0.500 CB 1.465 52 residues pruned to eliminate duplicates Z: 10 16.286 1.797 0.618 0.767 1.000 0.556 CB 1.473 10 residues pruned to eliminate duplicates Z: 19 27.244 2.073 0.645 0.879 0.944 0.833 CB 1.446 19 residues pruned to eliminate duplicates Z: 17 37.846 2.328 1.404 0.666 0.812 0.375 CB 1.785 17 residues pruned to eliminate duplicates Z: 32 52.693 2.229 0.851 0.935 1.000 0.581 CB 1.598 31 residues pruned to eliminate duplicates Z: 20 29.156 2.330 0.899 0.542 0.947 0.684 CB 1.532 10 residues pruned to eliminate duplicates Z: 8 19.228 2.186 0.441 0.882 1.000 0.714 CB 1.669 8 residues pruned to eliminate duplicates Z: 23 27.699 2.080 0.364 0.916 0.955 0.909 CA 1.539 23 residues pruned to eliminate duplicates Z: 15 21.311 2.162 0.171 0.901 1.000 0.786 CA 1.606 15 residues pruned to eliminate duplicates Z: 15 22.897 1.917 0.586 0.888 0.929 0.857 CB 1.561 15 residues pruned to eliminate duplicates Z: 10 7.791 1.834 0.826 0.380 0.889 0.556 CB 0.992 10 residues pruned to eliminate duplicates Z: 11 19.775 2.170 0.697 0.837 1.000 0.700 CB 1.271 11 residues pruned to eliminate duplicates Z: 11 22.863 2.180 0.397 0.844 1.000 0.800 CB 1.767 11 residues pruned to eliminate duplicates Z: 8 21.668 2.204 0.467 0.887 1.000 0.857 CB 1.826 8 residues pruned to eliminate duplicates Z: 8 10.812 1.801 0.278 0.767 1.000 0.857 CB 1.401 10 residues pruned to eliminate duplicates Z: 32 36.729 2.203 0.988 0.583 0.871 0.677 CB 1.597 31 residues pruned to eliminate duplicates Z: 12 25.413 2.167 0.501 0.901 1.000 0.636 CB 1.681 12 residues pruned to eliminate duplicates Z: 37 26.437 2.208 0.722 0.508 0.806 0.556 CB 1.427 37 residues pruned to eliminate duplicates Z: 10 27.572 2.248 1.234 0.881 1.000 0.556 CB 1.325 10 residues pruned to eliminate duplicates Z: 18 24.989 1.894 0.574 0.909 1.000 0.824 CB 1.442 16 residues pruned to eliminate duplicates Z: 45 28.865 2.181 0.710 0.511 0.864 0.591 CB 1.337 45 residues pruned to eliminate duplicates Z: 17 8.513 2.005 0.533 0.401 0.688 0.438 CB 1.119 17 residues pruned to eliminate duplicates Z: 11 14.882 1.861 0.526 0.814 0.800 0.700 CB 1.576 11 residues pruned to eliminate duplicates Z: 6 9.048 2.223 0.122 0.754 0.800 0.600 CB 1.617 Z: 48 28.751 2.152 0.651 0.375 0.872 0.553 CB 1.547 48 residues pruned to eliminate duplicates Z: 11 17.165 2.146 0.347 0.864 0.900 0.700 CB 1.529 11 residues pruned to eliminate duplicates Z: 31 42.513 2.227 0.616 0.939 1.000 0.800 CA 1.499 31 residues pruned to eliminate duplicates Z: 31 60.196 2.187 1.147 0.926 0.967 0.700 CB 1.699 31 residues pruned to eliminate duplicates Z: 13 14.408 1.740 0.392 0.864 1.000 0.750 CB 1.260 Z: 24 31.840 2.093 0.736 0.840 0.957 0.783 CB 1.427 23 residues pruned to eliminate duplicates Z: 8 9.697 1.936 0.345 0.867 0.714 0.714 CA 1.442 8 residues pruned to eliminate duplicates Z: 14 27.695 2.124 1.075 0.851 0.923 0.538 CB 1.397 14 residues pruned to eliminate duplicates Z: 14 27.115 2.015 0.723 0.907 1.000 0.769 CB 1.540 14 residues pruned to eliminate duplicates Z: 6 9.479 2.131 0.309 0.796 1.000 1.000 CB 1.173 Z: 8 12.949 1.993 0.584 0.866 1.000 1.000 CA 1.135 8 residues pruned to eliminate duplicates Z: 7 11.417 1.934 0.067 0.872 1.000 0.833 CB 1.645 7 residues pruned to eliminate duplicates Z: 18 23.327 2.034 0.574 0.900 0.882 0.882 CA 1.431 18 residues pruned to eliminate duplicates Z: 16 33.875 2.161 0.909 0.885 0.933 0.733 CB 1.640 15 residues pruned to eliminate duplicates Z: 32 40.041 2.183 0.645 0.904 0.903 0.742 CB 1.579 32 residues pruned to eliminate duplicates Z: 13 26.996 2.084 0.660 0.843 1.000 0.833 CA 1.677 13 residues pruned to eliminate duplicates Z: 17 32.547 2.166 0.754 0.831 0.938 0.688 CA 1.716 17 residues pruned to eliminate duplicates Z: 6 6.974 1.843 0.021 0.814 1.000 0.600 N 1.261 6 residues pruned to eliminate duplicates Z: 11 19.106 2.064 0.549 0.924 1.000 0.800 CB 1.327 Z: 32 49.837 2.111 0.892 0.924 0.968 0.839 CA 1.626 32 residues pruned to eliminate duplicates Z: 18 36.295 2.190 1.088 0.910 1.000 0.765 CB 1.366 18 residues pruned to eliminate duplicates Z: 75 56.904 2.299 0.715 0.651 0.932 0.622 CB 1.563 87 residues pruned to eliminate duplicates Z: 24 40.954 2.126 0.950 0.916 1.000 0.609 CB 1.454 24 residues pruned to eliminate duplicates Z: 15 11.913 1.622 0.384 0.802 0.929 0.786 CB 1.173 15 residues pruned to eliminate duplicates Z: 27 24.399 2.043 0.579 0.629 0.923 0.577 CB 1.423 22 residues pruned to eliminate duplicates Z: 14 19.677 1.943 0.545 0.783 0.923 0.615 CA 1.535 14 residues pruned to eliminate duplicates Z: 30 53.514 2.184 0.950 0.930 1.000 0.552 CB 1.632 30 residues pruned to eliminate duplicates Z: 15 18.353 1.863 0.462 0.853 0.929 0.786 CA 1.433 15 residues pruned to eliminate duplicates Z: 11 13.718 1.863 0.570 0.867 0.900 0.800 CA 1.206 11 residues pruned to eliminate duplicates Z: 16 20.576 1.878 0.384 0.884 1.000 0.867 CA 1.478 16 residues pruned to eliminate duplicates Z: 23 34.796 2.128 0.755 0.902 0.955 0.773 CB 1.484 23 residues pruned to eliminate duplicates Z: 11 20.441 2.189 0.332 0.885 1.000 0.900 CA 1.601 11 residues pruned to eliminate duplicates Z: 12 20.149 1.961 0.462 0.884 1.000 1.000 CA 1.531 12 residues pruned to eliminate duplicates Z: 19 34.227 2.137 0.743 0.923 1.000 0.778 CB 1.522 19 residues pruned to eliminate duplicates Z: 31 42.191 2.253 0.519 0.906 1.000 0.867 CA 1.601 31 residues pruned to eliminate duplicates Z: 23 37.854 2.063 0.706 0.914 1.000 0.818 CB 1.622 23 residues pruned to eliminate duplicates Z: 13 16.246 1.807 0.352 0.882 1.000 0.833 CB 1.389 13 residues pruned to eliminate duplicates Z: 14 28.399 2.145 0.779 0.866 1.000 0.846 CA 1.511 14 residues pruned to eliminate duplicates Z: 13 15.030 1.901 0.259 0.888 1.000 0.750 CA 1.307 13 residues pruned to eliminate duplicates Z: 28 34.927 2.017 0.601 0.914 1.000 0.926 CA 1.472 28 residues pruned to eliminate duplicates Z: 12 10.006 2.028 0.493 0.373 0.818 0.545 CB 1.395 Z: 16 22.458 1.875 0.858 0.755 0.867 0.667 CB 1.530 16 residues pruned to eliminate duplicates Z: 16 28.507 2.065 0.592 0.908 0.933 0.867 CB 1.704 16 residues pruned to eliminate duplicates Z: 9 12.453 1.918 0.381 0.835 1.000 0.750 CA 1.245 9 residues pruned to eliminate duplicates Z: 6 9.489 2.096 -0.160 0.809 1.000 0.800 CB 1.841 Z: 9 18.006 2.206 0.725 0.839 0.875 0.750 CB 1.428 9 residues pruned to eliminate duplicates Z: 24 27.220 1.936 0.373 0.909 0.957 0.826 CA 1.584 24 residues pruned to eliminate duplicates Z: 11 23.591 2.073 0.869 0.932 1.000 0.900 CB 1.345 11 residues pruned to eliminate duplicates Z: 17 30.099 2.003 0.736 0.905 1.000 0.875 CB 1.540 17 residues pruned to eliminate duplicates Z: 9 19.981 2.034 0.551 0.891 1.000 0.750 CA 1.610 9 residues pruned to eliminate duplicates Z: 48 26.260 2.127 0.709 0.497 0.851 0.511 CB 1.242 69 residues pruned to eliminate duplicates Z: 27 30.851 2.051 0.433 0.912 0.923 0.808 CB 1.579 27 residues pruned to eliminate duplicates Z: 12 25.766 1.994 0.784 0.909 1.000 0.455 CB 1.550 11 residues pruned to eliminate duplicates Z: 15 24.565 1.859 0.696 0.872 1.000 0.786 CA 1.517 Z: 15 40.875 2.150 1.330 0.898 1.000 0.786 CB 1.561 15 residues pruned to eliminate duplicates Z: 13 19.021 1.944 0.550 0.877 0.917 0.417 CB 1.444 Z: 30 31.791 1.950 0.454 0.884 0.966 0.759 CB 1.558 28 residues pruned to eliminate duplicates Z: 8 20.015 2.330 0.492 0.858 1.000 0.857 CA 1.602 8 residues pruned to eliminate duplicates Z: 7 5.698 1.514 0.530 0.666 0.667 0.500 O 1.292 6 residues pruned to eliminate duplicates Z: 24 32.549 1.952 0.789 0.889 0.913 0.739 CB 1.532 13 residues pruned to eliminate duplicates Z: 17 21.271 1.956 0.585 0.878 0.938 0.625 CB 1.327 17 residues pruned to eliminate duplicates Z: 10 19.298 2.176 0.439 0.870 1.000 1.000 CB 1.499 10 residues pruned to eliminate duplicates Z: 31 13.241 1.873 0.375 0.377 0.933 0.567 CB 1.147 7 residues pruned to eliminate duplicates Z: 17 7.879 1.907 0.274 0.567 0.812 0.500 CB 0.935 14 residues pruned to eliminate duplicates Z: 8 6.560 1.967 0.290 0.477 1.000 0.714 CB 1.001 8 residues pruned to eliminate duplicates Z: 12 16.000 1.794 0.604 0.873 0.909 0.818 CB 1.343 12 residues pruned to eliminate duplicates Z: 25 37.879 2.003 0.871 0.925 0.958 0.708 CB 1.511 25 residues pruned to eliminate duplicates Z: 10 17.792 2.087 0.574 0.756 0.889 0.667 CA 1.617 10 residues pruned to eliminate duplicates Z: 52 29.832 2.010 0.707 0.536 0.882 0.608 CB 1.331 42 residues pruned to eliminate duplicates Z: 28 24.028 2.063 0.451 0.603 0.926 0.630 CB 1.513 15 residues pruned to eliminate duplicates Z: 16 15.553 1.796 0.587 0.808 0.867 0.733 CB 1.243 16 residues pruned to eliminate duplicates Z: 8 14.943 1.990 1.001 0.788 0.857 0.714 CA 1.284 8 residues pruned to eliminate duplicates Z: 11 12.966 1.962 0.382 0.810 0.800 0.700 CB 1.443 Z: 13 19.236 2.187 0.444 0.919 1.000 0.917 CB 1.239 13 residues pruned to eliminate duplicates Z: 16 22.400 2.015 0.568 0.891 0.867 0.667 CB 1.519 16 residues pruned to eliminate duplicates Z: 25 23.689 2.263 0.645 0.566 0.875 0.583 CB 1.393 25 residues pruned to eliminate duplicates Z: 52 29.136 1.996 0.611 0.489 0.941 0.686 CB 1.363 52 residues pruned to eliminate duplicates Z: 7 6.097 1.787 0.335 0.732 0.667 0.667 CA 1.270 6 residues pruned to eliminate duplicates Z: 7 12.522 1.985 0.565 0.797 0.833 0.500 N 1.522 6 residues pruned to eliminate duplicates Z: 10 22.723 1.882 0.879 0.890 1.000 0.778 CA 1.542 9 residues pruned to eliminate duplicates Z: 18 26.498 2.037 0.862 0.859 0.882 0.588 CB 1.413 18 residues pruned to eliminate duplicates Z: 31 38.380 2.121 0.535 0.932 0.967 0.833 CA 1.554 31 residues pruned to eliminate duplicates Z: 12 14.379 1.958 0.187 0.884 1.000 0.909 CB 1.348 12 residues pruned to eliminate duplicates Z: 57 31.548 2.116 0.665 0.410 0.911 0.482 CB 1.444 48 residues pruned to eliminate duplicates Z: 30 47.635 2.171 0.713 0.942 1.000 0.897 CA 1.650 30 residues pruned to eliminate duplicates Z: 32 52.238 2.246 0.800 0.942 0.968 0.871 CA 1.663 32 residues pruned to eliminate duplicates Z: 49 22.377 1.965 0.449 0.463 0.875 0.500 CB 1.346 49 residues pruned to eliminate duplicates Z: 14 24.494 1.990 0.760 0.895 1.000 0.538 CB 1.390 14 residues pruned to eliminate duplicates Z: 78 54.033 2.168 0.804 0.590 0.909 0.623 CB 1.589 78 residues pruned to eliminate duplicates Z: 31 50.065 2.259 0.790 0.918 1.000 0.800 CA 1.594 31 residues pruned to eliminate duplicates Z: 9 7.517 1.912 0.471 0.281 0.875 0.500 CB 1.382 Z: 14 23.938 1.980 0.724 0.899 1.000 0.538 CB 1.390 14 residues pruned to eliminate duplicates Z: 7 10.798 1.968 0.376 0.739 1.000 0.667 CB 1.313 7 residues pruned to eliminate duplicates Z: 23 34.678 2.054 0.891 0.913 0.955 0.864 CA 1.411 23 residues pruned to eliminate duplicates Z: 14 18.670 1.937 0.542 0.829 0.923 0.692 CB 1.414 14 residues pruned to eliminate duplicates Z: 10 14.217 1.962 0.328 0.845 1.000 0.667 CB 1.352 11 residues pruned to eliminate duplicates Z: 17 21.186 1.898 0.332 0.884 1.000 0.875 CA 1.514 17 residues pruned to eliminate duplicates Z: 17 10.124 2.006 0.433 0.484 0.812 0.562 CB 1.101 15 residues pruned to eliminate duplicates Z: 11 21.917 2.115 0.489 0.863 1.000 0.700 CB 1.615 11 residues pruned to eliminate duplicates Z: 10 21.044 1.923 0.820 0.847 1.000 0.667 CB 1.488 10 residues pruned to eliminate duplicates Z: 28 36.980 1.997 0.620 0.946 1.000 0.926 CB 1.522 28 residues pruned to eliminate duplicates Z: 27 42.169 2.069 0.901 0.941 1.000 0.846 CB 1.459 27 residues pruned to eliminate duplicates Z: 14 19.957 1.903 0.585 0.886 0.923 0.923 CB 1.435 Z: 16 27.150 2.127 0.579 0.880 0.933 0.933 CB 1.620 16 residues pruned to eliminate duplicates Z: 16 10.349 1.856 0.444 0.451 0.800 0.533 CB 1.310 Z: 60 37.530 2.149 0.786 0.508 0.847 0.576 CB 1.490 60 residues pruned to eliminate duplicates Z: 18 24.418 1.940 0.603 0.859 0.941 0.706 CB 1.489 19 residues pruned to eliminate duplicates Z: 26 27.369 1.833 0.645 0.845 0.960 0.640 CB 1.406 26 residues pruned to eliminate duplicates Z: 6 3.686 1.766 0.400 0.346 0.600 0.400 CB 1.313 Z: 16 18.007 1.910 0.266 0.901 1.000 0.667 CB 1.373 Z: 14 22.079 1.919 0.501 0.915 1.000 0.846 CA 1.502 14 residues pruned to eliminate duplicates Z: 51 28.390 2.007 0.664 0.478 0.920 0.620 CB 1.336 51 residues pruned to eliminate duplicates Z: 17 20.011 1.812 0.607 0.822 0.938 0.812 CB 1.387 16 residues pruned to eliminate duplicates Z: 29 25.487 1.992 0.602 0.645 0.929 0.679 CB 1.420 28 residues pruned to eliminate duplicates Z: 15 23.254 2.001 0.595 0.898 0.929 0.857 CB 1.500 15 residues pruned to eliminate duplicates Z: 26 21.441 2.188 0.545 0.444 0.880 0.520 CB 1.528 26 residues pruned to eliminate duplicates Z: 17 20.241 2.022 0.711 0.648 0.938 0.438 CB 1.359 17 residues pruned to eliminate duplicates Z: 14 22.022 1.900 0.467 0.917 1.000 0.923 CB 1.547 14 residues pruned to eliminate duplicates Z: 14 24.209 1.890 0.656 0.897 1.000 0.923 CA 1.535 14 residues pruned to eliminate duplicates Z: 28 38.450 2.016 0.749 0.881 1.000 0.852 CA 1.520 28 residues pruned to eliminate duplicates Z: 29 38.078 2.004 0.767 0.925 1.000 0.893 CB 1.426 28 residues pruned to eliminate duplicates Z: 30 37.134 1.940 0.627 0.937 0.966 0.552 CB 1.576 29 residues pruned to eliminate duplicates Z: 8 13.157 1.966 0.428 0.854 1.000 0.857 CA 1.308 8 residues pruned to eliminate duplicates Z: 29 34.156 1.962 0.589 0.919 1.000 0.786 CA 1.459 29 residues pruned to eliminate duplicates Z: 15 14.224 1.898 0.200 0.822 0.929 0.643 CB 1.360 15 residues pruned to eliminate duplicates Z: 23 26.104 2.004 0.259 0.911 1.000 0.864 CB 1.564 23 residues pruned to eliminate duplicates Z: 26 34.289 2.054 0.548 0.903 0.960 0.560 CB 1.602 26 residues pruned to eliminate duplicates Z: 13 20.588 2.043 0.538 0.811 0.917 0.667 CA 1.574 13 residues pruned to eliminate duplicates Z: 13 31.703 2.087 0.938 0.876 0.917 0.583 CB 1.793 13 residues pruned to eliminate duplicates Z: 16 9.468 1.904 0.504 0.501 0.867 0.467 CB 0.984 Z: 7 10.271 2.085 0.080 0.848 1.000 0.833 CA 1.382 7 residues pruned to eliminate duplicates Z: 28 39.102 2.045 0.758 0.939 1.000 0.852 CB 1.454 28 residues pruned to eliminate duplicates Z: 25 29.549 2.046 0.397 0.903 0.958 0.958 CB 1.569 25 residues pruned to eliminate duplicates Z: 32 22.776 2.143 0.718 0.337 0.871 0.452 CB 1.524 32 residues pruned to eliminate duplicates Z: 12 16.820 1.938 0.527 0.760 0.909 0.636 CA 1.496 12 residues pruned to eliminate duplicates Z: 10 8.364 1.889 0.245 0.545 0.889 0.556 CB 1.276 10 residues pruned to eliminate duplicates Z: 16 12.660 1.773 0.366 0.880 0.933 0.867 CB 1.048 16 residues pruned to eliminate duplicates Z: 30 63.885 2.316 0.969 0.950 1.000 0.862 CA 1.793 30 residues pruned to eliminate duplicates Z: 29 59.360 2.216 1.100 0.924 0.964 0.750 CB 1.755 29 residues pruned to eliminate duplicates Z: 7 9.000 1.937 0.496 0.887 0.833 0.833 CB 1.097 7 residues pruned to eliminate duplicates Z: 28 29.094 2.003 0.261 0.929 0.963 0.926 CB 1.611 28 residues pruned to eliminate duplicates Z: 17 33.545 1.970 0.797 0.917 1.000 0.812 CB 1.671 17 residues pruned to eliminate duplicates Z: 16 29.957 2.079 0.702 0.916 0.933 0.733 CA 1.655 16 residues pruned to eliminate duplicates Z: 10 17.977 1.956 0.448 0.852 1.000 1.000 CA 1.565 10 residues pruned to eliminate duplicates Z: 30 27.956 1.985 0.666 0.609 0.931 0.586 CB 1.520 29 residues pruned to eliminate duplicates Z: 17 25.439 1.973 0.554 0.877 1.000 0.812 CA 1.506 17 residues pruned to eliminate duplicates Z: 13 25.988 1.940 0.768 0.857 1.000 0.833 CA 1.612 13 residues pruned to eliminate duplicates Z: 6 12.455 2.207 0.214 0.818 1.000 1.000 CA 1.577 6 residues pruned to eliminate duplicates Z: 32 56.558 2.233 0.996 0.925 1.000 0.710 CB 1.599 32 residues pruned to eliminate duplicates Z: 19 28.063 2.117 0.643 0.898 0.889 0.500 CB 1.531 19 residues pruned to eliminate duplicates Z: 13 15.727 2.029 0.158 0.811 0.917 0.833 CB 1.609 13 residues pruned to eliminate duplicates Z: 11 5.072 1.834 0.162 0.280 0.800 0.300 CB 1.206 11 residues pruned to eliminate duplicates Z: 14 20.379 1.907 0.452 0.933 1.000 0.846 CA 1.424 14 residues pruned to eliminate duplicates Z: 26 29.942 1.844 0.800 0.850 0.920 0.640 CB 1.453 26 residues pruned to eliminate duplicates Z: 8 20.999 2.088 0.892 0.875 1.000 0.857 CA 1.461 8 residues pruned to eliminate duplicates Z: 17 23.363 1.946 0.537 0.879 0.938 0.875 CA 1.510 17 residues pruned to eliminate duplicates Z: 13 28.770 2.056 0.857 0.889 0.917 0.667 CB 1.708 13 residues pruned to eliminate duplicates Z: 12 10.964 1.957 0.733 0.365 0.909 0.455 CB 1.240 12 residues pruned to eliminate duplicates Z: 24 26.201 1.933 0.735 0.861 0.913 0.478 CB 1.311 24 residues pruned to eliminate duplicates Z: 24 30.491 1.923 0.675 0.883 0.957 0.826 CB 1.492 24 residues pruned to eliminate duplicates Z: 37 33.873 2.028 0.627 0.698 0.972 0.722 CB 1.469 27 residues pruned to eliminate duplicates Z: 22 14.841 2.000 0.467 0.449 0.857 0.571 CB 1.357 22 residues pruned to eliminate duplicates Z: 11 14.933 2.014 0.380 0.780 1.000 0.600 CB 1.327 11 residues pruned to eliminate duplicates Z: 30 52.063 2.222 0.798 0.936 1.000 0.931 CA 1.685 30 residues pruned to eliminate duplicates Z: 16 8.737 1.956 0.249 0.485 0.733 0.600 CB 1.279 15 residues pruned to eliminate duplicates Z: 13 25.403 2.219 1.005 0.853 1.000 0.750 CB 1.218 13 residues pruned to eliminate duplicates Z: 8 8.073 1.945 0.263 0.600 1.000 0.714 CB 1.128 8 residues pruned to eliminate duplicates Z: 14 28.421 1.928 0.875 0.927 1.000 0.769 CA 1.528 14 residues pruned to eliminate duplicates Z: 18 21.244 1.943 0.577 0.851 0.941 0.882 CB 1.322 18 residues pruned to eliminate duplicates Z: 17 19.727 2.032 0.838 0.664 0.875 0.500 CB 1.296 17 residues pruned to eliminate duplicates Z: 12 17.097 1.819 0.527 0.877 1.000 0.727 CA 1.347 Z: 13 22.135 2.148 0.450 0.931 1.000 0.833 CB 1.434 14 residues pruned to eliminate duplicates Z: 28 25.109 2.083 0.536 0.627 0.926 0.815 CB 1.448 38 residues pruned to eliminate duplicates Z: 16 24.584 1.956 0.467 0.852 1.000 0.733 CA 1.637 16 residues pruned to eliminate duplicates Z: 21 29.025 2.004 0.741 0.867 0.850 0.700 CA 1.601 21 residues pruned to eliminate duplicates Z: 24 31.825 1.946 0.565 0.912 1.000 0.826 CB 1.543 24 residues pruned to eliminate duplicates Z: 9 9.364 1.558 0.442 0.732 1.000 0.625 O 1.196 9 residues pruned to eliminate duplicates Z: 15 20.305 1.855 0.561 0.840 1.000 0.857 CA 1.398 15 residues pruned to eliminate duplicates Z: 30 36.849 1.919 0.670 0.905 0.966 0.724 CA 1.573 30 residues pruned to eliminate duplicates Z: 28 31.708 2.059 0.623 0.692 0.963 0.556 CB 1.592 17 residues pruned to eliminate duplicates Z: 12 7.227 1.739 0.218 0.810 0.818 0.727 CB 0.960 Z: 10 16.149 2.167 0.336 0.836 0.889 0.889 CB 1.566 10 residues pruned to eliminate duplicates Z: 12 32.256 2.323 0.710 0.860 1.000 0.818 CA 1.800 12 residues pruned to eliminate duplicates Z: 11 10.685 1.903 0.714 0.614 0.900 0.600 CB 1.034 Z: 24 31.324 1.970 0.638 0.861 0.957 0.696 CB 1.555 24 residues pruned to eliminate duplicates Z: 16 24.236 1.882 0.564 0.901 1.000 0.933 CA 1.517 16 residues pruned to eliminate duplicates Z: 17 26.638 2.011 0.569 0.895 1.000 0.938 CA 1.514 17 residues pruned to eliminate duplicates Z: 39 35.899 1.993 0.851 0.740 0.895 0.474 CB 1.422 26 residues pruned to eliminate duplicates Z: 82 51.591 2.215 0.754 0.542 0.914 0.568 CB 1.550 82 residues pruned to eliminate duplicates Z: 24 33.269 2.051 0.722 0.879 0.957 0.739 CB 1.489 24 residues pruned to eliminate duplicates Z: 15 25.113 2.044 0.455 0.921 1.000 0.857 CB 1.588 17 residues pruned to eliminate duplicates Z: 17 22.488 1.992 0.686 0.867 0.938 0.875 CB 1.306 17 residues pruned to eliminate duplicates Z: 9 12.486 1.692 0.929 0.832 0.875 0.375 CA 1.161 9 residues pruned to eliminate duplicates Z: 7 8.270 1.830 0.267 0.804 1.000 0.833 CB 1.116 Z: 8 6.190 1.820 -0.007 0.633 1.000 0.714 CB 1.143 8 residues pruned to eliminate duplicates Z: 17 30.657 2.158 0.603 0.842 1.000 0.750 CA 1.651 17 residues pruned to eliminate duplicates Z: 13 13.654 1.738 0.359 0.925 1.000 1.000 CB 1.171 Z: 19 27.496 1.925 0.672 0.875 0.944 0.667 CA 1.550 19 residues pruned to eliminate duplicates Z: 18 23.841 1.910 0.603 0.914 0.941 0.824 CB 1.419 18 residues pruned to eliminate duplicates Z: 13 16.242 2.058 0.290 0.896 1.000 0.833 CB 1.265 13 residues pruned to eliminate duplicates Z: 11 10.496 1.865 0.781 0.460 0.800 0.800 CB 1.301 Z: 13 28.045 2.143 0.572 0.930 1.000 0.750 CB 1.680 13 residues pruned to eliminate duplicates Z: 51 32.058 2.031 0.709 0.555 0.940 0.520 CB 1.318 51 residues pruned to eliminate duplicates Z: 45 24.156 2.099 0.500 0.419 0.932 0.455 CB 1.350 45 residues pruned to eliminate duplicates Z: 25 28.504 1.868 0.916 0.897 0.833 0.333 CB 1.396 25 residues pruned to eliminate duplicates Z: 23 28.318 1.884 0.450 0.932 1.000 0.909 CB 1.543 22 residues pruned to eliminate duplicates Z: 6 3.144 1.394 0.519 0.417 0.800 0.600 O 0.906 Z: 7 13.254 1.927 0.697 0.796 1.000 1.000 CB 1.277 7 residues pruned to eliminate duplicates Z: 15 7.079 1.600 0.508 0.453 0.857 0.643 CB 0.960 Z: 25 27.794 1.997 0.555 0.874 0.958 0.708 CB 1.387 25 residues pruned to eliminate duplicates Z: 31 23.439 1.974 0.443 0.616 0.933 0.633 CB 1.442 31 residues pruned to eliminate duplicates Z: 14 27.202 1.958 0.762 0.877 1.000 0.769 CB 1.588 14 residues pruned to eliminate duplicates Z: 16 24.802 2.117 0.536 0.837 0.933 0.800 CB 1.578 16 residues pruned to eliminate duplicates Z: 17 26.820 2.008 0.479 0.930 1.000 0.875 CB 1.578 17 residues pruned to eliminate duplicates Z: 6 10.056 1.874 0.196 0.884 1.000 0.800 CB 1.450 5 residues pruned to eliminate duplicates Z: 14 32.177 1.966 0.932 0.939 1.000 0.538 N 1.633 15 residues pruned to eliminate duplicates Z: 17 23.361 1.911 0.548 0.909 0.938 0.750 CB 1.495 17 residues pruned to eliminate duplicates Z: 23 37.447 2.136 0.901 0.905 0.955 0.500 CB 1.466 23 residues pruned to eliminate duplicates Z: 8 10.944 1.771 0.748 0.829 0.857 0.714 CB 1.173 7 residues pruned to eliminate duplicates Z: 22 30.903 2.101 0.690 0.922 0.952 0.667 CB 1.403 22 residues pruned to eliminate duplicates Z: 22 14.617 2.048 0.638 0.510 0.810 0.333 CB 1.163 17 residues pruned to eliminate duplicates Z: 15 14.521 1.773 0.667 0.889 1.000 0.714 CB 0.945 15 residues pruned to eliminate duplicates Z: 46 27.039 2.015 0.620 0.548 0.867 0.644 CB 1.359 46 residues pruned to eliminate duplicates Z: 28 24.300 2.041 0.553 0.580 0.889 0.667 CB 1.537 28 residues pruned to eliminate duplicates Z: 17 25.704 1.939 0.719 0.853 0.938 0.625 CA 1.519 17 residues pruned to eliminate duplicates Z: 6 20.931 1.959 1.534 0.875 1.000 0.800 CA 1.371 Z: 13 14.758 1.773 0.561 0.865 0.917 0.667 CB 1.230 13 residues pruned to eliminate duplicates Z: 58 56.226 2.202 0.696 0.806 0.965 0.860 CB 1.582 58 residues pruned to eliminate duplicates Z: 15 19.177 1.792 0.559 0.940 1.000 0.714 CB 1.274 Z: 21 23.696 1.903 0.404 0.905 0.950 0.800 CB 1.485 21 residues pruned to eliminate duplicates Z: 27 35.157 2.016 0.454 0.932 1.000 0.923 CB 1.642 27 residues pruned to eliminate duplicates Z: 21 18.407 1.877 0.548 0.882 1.000 0.750 CB 1.025 21 residues pruned to eliminate duplicates Z: 15 6.578 1.762 0.209 0.443 0.929 0.429 CB 0.942 Z: 22 29.975 2.074 0.734 0.899 1.000 0.571 CB 1.300 22 residues pruned to eliminate duplicates Z: 22 32.017 2.144 0.949 0.851 0.857 0.619 CB 1.444 22 residues pruned to eliminate duplicates Z: 29 51.497 2.287 0.751 0.953 1.000 0.821 CA 1.672 29 residues pruned to eliminate duplicates Z: 17 34.407 2.145 0.881 0.873 0.938 0.812 CA 1.656 17 residues pruned to eliminate duplicates Z: 32 52.268 2.210 0.974 0.944 0.968 0.516 CB 1.540 32 residues pruned to eliminate duplicates Z: 17 20.392 1.767 0.591 0.928 1.000 0.812 CB 1.270 Z: 34 20.244 2.038 0.550 0.498 0.818 0.485 CB 1.366 34 residues pruned to eliminate duplicates Z: 8 6.165 1.771 0.210 0.348 1.000 0.714 CB 1.283 8 residues pruned to eliminate duplicates Z: 21 30.133 2.051 0.699 0.812 0.950 0.750 CB 1.552 21 residues pruned to eliminate duplicates Z: 10 16.003 2.008 0.516 0.879 0.889 0.556 CB 1.428 10 residues pruned to eliminate duplicates Z: 17 19.706 1.770 0.588 0.916 1.000 0.750 CB 1.238 17 residues pruned to eliminate duplicates Z: 14 36.158 2.184 1.134 0.853 1.000 0.538 CA 1.591 14 residues pruned to eliminate duplicates Z: 15 22.333 1.888 0.565 0.909 1.000 0.857 CB 1.433 15 residues pruned to eliminate duplicates Z: 13 16.650 1.853 0.379 0.800 1.000 0.583 CA 1.447 13 residues pruned to eliminate duplicates Z: 17 21.910 1.818 0.654 0.829 0.938 0.688 CB 1.462 17 residues pruned to eliminate duplicates Z: 10 15.426 2.043 0.710 0.845 0.778 0.667 CA 1.408 10 residues pruned to eliminate duplicates Z: 45 28.351 2.061 0.676 0.511 0.886 0.591 CB 1.382 45 residues pruned to eliminate duplicates Z: 24 28.975 2.049 0.880 0.898 0.870 0.478 CB 1.290 24 residues pruned to eliminate duplicates Z: 24 18.316 1.993 0.481 0.565 0.913 0.652 CB 1.331 24 residues pruned to eliminate duplicates Z: 8 10.539 1.974 0.127 0.893 1.000 1.000 CB 1.285 8 residues pruned to eliminate duplicates Z: 18 24.039 1.868 0.507 0.902 1.000 0.824 CA 1.477 18 residues pruned to eliminate duplicates Z: 6 10.053 1.832 0.617 0.537 1.000 0.600 N 1.464 Z: 13 24.826 1.940 0.751 0.860 1.000 0.583 CA 1.551 13 residues pruned to eliminate duplicates Z: 17 6.599 1.897 0.190 0.411 0.812 0.500 CB 0.988 14 residues pruned to eliminate duplicates Z: 36 40.205 2.028 0.977 0.757 0.914 0.371 CB 1.475 37 residues pruned to eliminate duplicates Z: 23 29.391 2.036 0.436 0.919 0.955 0.773 CB 1.582 23 residues pruned to eliminate duplicates Z: 11 24.362 2.186 0.598 0.832 1.000 0.700 CB 1.655 11 residues pruned to eliminate duplicates Z: 8 17.884 1.808 0.924 0.859 1.000 0.714 CB 1.430 8 residues pruned to eliminate duplicates Z: 29 25.735 2.050 0.775 0.626 0.929 0.750 CB 1.279 29 residues pruned to eliminate duplicates Z: 9 23.550 2.031 1.174 0.880 1.000 0.625 CB 1.366 9 residues pruned to eliminate duplicates Z: 16 19.251 1.786 0.689 0.928 1.000 0.533 CB 1.153 16 residues pruned to eliminate duplicates Z: 15 26.594 1.917 0.855 0.860 0.929 0.714 N 1.583 15 residues pruned to eliminate duplicates Z: 12 21.463 1.833 0.808 0.901 1.000 0.818 CB 1.393 11 residues pruned to eliminate duplicates Z: 26 25.436 1.966 0.351 0.831 0.960 0.880 CB 1.499 26 residues pruned to eliminate duplicates Z: 10 13.070 1.825 0.510 0.761 0.778 0.556 C 1.612 10 residues pruned to eliminate duplicates Z: 29 37.886 1.959 0.573 0.929 1.000 0.714 CB 1.626 30 residues pruned to eliminate duplicates Z: 11 8.224 1.850 -0.235 0.935 1.000 1.000 CA 1.282 11 residues pruned to eliminate duplicates Z: 16 28.974 2.095 0.750 0.915 0.933 0.733 CB 1.546 16 residues pruned to eliminate duplicates Z: 13 30.842 2.022 0.878 0.886 1.000 0.667 CB 1.691 13 residues pruned to eliminate duplicates Z: 12 12.443 1.856 0.709 0.638 0.818 0.636 CB 1.271 12 residues pruned to eliminate duplicates Z: 6 5.374 1.558 0.171 0.529 1.000 0.600 CB 1.280 Z: 13 35.144 2.280 1.348 0.829 0.833 0.583 CA 1.711 13 residues pruned to eliminate duplicates Z: 10 8.774 1.773 0.612 0.576 0.778 0.667 CB 1.223 Z: 9 18.011 2.155 0.682 0.839 0.875 0.875 CB 1.499 9 residues pruned to eliminate duplicates Z: 16 23.356 2.107 0.460 0.897 0.933 0.800 CB 1.504 16 residues pruned to eliminate duplicates Z: 32 53.079 2.226 0.827 0.942 1.000 0.516 CB 1.626 32 residues pruned to eliminate duplicates Z: 35 26.235 2.237 0.570 0.489 0.882 0.529 CB 1.467 35 residues pruned to eliminate duplicates Z: 22 36.407 2.073 0.899 0.914 1.000 0.619 CB 1.427 22 residues pruned to eliminate duplicates Z: 11 24.792 2.036 1.042 0.866 0.900 0.700 CB 1.533 11 residues pruned to eliminate duplicates Z: 15 18.708 1.991 0.367 0.890 0.929 0.857 CB 1.423 15 residues pruned to eliminate duplicates Z: 26 19.463 2.103 0.530 0.554 0.880 0.640 CB 1.304 26 residues pruned to eliminate duplicates Z: 14 25.310 2.098 0.522 0.901 1.000 0.769 CA 1.570 14 residues pruned to eliminate duplicates Z: 12 11.034 1.757 0.380 0.875 0.909 0.818 CB 1.098 12 residues pruned to eliminate duplicates Z: 16 33.672 2.069 0.717 0.904 1.000 0.733 CB 1.744 16 residues pruned to eliminate duplicates Z: 28 35.776 1.986 0.660 0.915 1.000 0.889 CA 1.476 28 residues pruned to eliminate duplicates Z: 12 10.020 1.898 0.601 0.415 0.727 0.545 CA 1.494 12 residues pruned to eliminate duplicates Z: 10 3.716 1.748 0.476 0.337 0.444 0.444 CB 1.291 10 residues pruned to eliminate duplicates Z: 8 15.616 1.881 0.624 0.856 1.000 0.857 CA 1.425 7 residues pruned to eliminate duplicates Z: 7 7.714 1.844 0.240 0.833 0.667 0.333 N 1.550 7 residues pruned to eliminate duplicates Z: 7 8.981 1.926 0.407 0.601 1.000 0.333 CB 1.228 7 residues pruned to eliminate duplicates Z: 14 28.325 2.120 0.897 0.751 0.923 0.769 CA 1.691 14 residues pruned to eliminate duplicates Z: 13 17.097 2.036 0.542 0.851 0.833 0.583 CB 1.396 13 residues pruned to eliminate duplicates Z: 12 22.765 1.994 0.600 0.840 1.000 0.909 N 1.606 12 residues pruned to eliminate duplicates Z: 12 24.054 1.921 0.712 0.883 1.000 0.818 CB 1.595 12 residues pruned to eliminate duplicates Z: 14 16.137 2.291 0.661 0.586 0.769 0.385 CB 1.407 14 residues pruned to eliminate duplicates Z: 23 35.162 2.108 0.832 0.917 0.955 0.545 CB 1.435 23 residues pruned to eliminate duplicates Z: 11 7.356 1.978 0.279 0.457 0.900 0.500 CB 1.067 11 residues pruned to eliminate duplicates Z: 8 15.544 1.926 0.836 0.861 1.000 0.571 CA 1.221 14 residues pruned to eliminate duplicates Z: 16 12.141 2.093 0.347 0.538 0.933 0.733 CB 1.147 16 residues pruned to eliminate duplicates Z: 20 32.421 2.067 0.803 0.890 0.947 0.842 CB 1.516 20 residues pruned to eliminate duplicates Z: 17 24.687 2.001 0.582 0.853 1.000 0.750 CB 1.441 17 residues pruned to eliminate duplicates Z: 15 23.675 2.062 0.588 0.934 0.929 0.786 CB 1.451 15 residues pruned to eliminate duplicates Z: 74 57.957 2.251 0.808 0.632 0.932 0.726 CB 1.581 63 residues pruned to eliminate duplicates Z: 16 25.614 2.061 0.566 0.911 1.000 0.933 CB 1.453 16 residues pruned to eliminate duplicates Z: 23 20.114 2.179 0.537 0.538 0.864 0.545 CB 1.428 23 residues pruned to eliminate duplicates Z: 8 26.279 2.287 1.197 0.888 1.000 0.429 CB 1.424 8 residues pruned to eliminate duplicates Z: 13 11.314 1.728 0.079 0.891 1.000 0.917 CB 1.259 13 residues pruned to eliminate duplicates Z: 7 19.920 2.147 0.886 0.707 1.000 0.500 CA 1.664 7 residues pruned to eliminate duplicates Z: 26 23.090 2.008 0.411 0.736 0.960 0.840 CB 1.374 26 residues pruned to eliminate duplicates Z: 10 22.070 2.188 0.623 0.879 1.000 0.778 CB 1.502 10 residues pruned to eliminate duplicates Z: 36 24.998 2.057 0.606 0.538 0.857 0.629 CB 1.438 38 residues pruned to eliminate duplicates Z: 9 19.637 2.067 0.521 0.897 1.000 0.625 CB 1.581 9 residues pruned to eliminate duplicates Z: 15 20.698 1.967 0.682 0.830 0.929 0.786 CB 1.353 15 residues pruned to eliminate duplicates Z: 8 10.361 1.905 0.134 0.745 1.000 0.714 N 1.456 8 residues pruned to eliminate duplicates Z: 14 21.735 2.041 0.445 0.908 1.000 0.923 CB 1.451 14 residues pruned to eliminate duplicates Z: 31 31.344 2.049 0.829 0.590 0.967 0.667 CB 1.450 31 residues pruned to eliminate duplicates Z: 6 7.540 1.733 0.887 0.479 0.800 0.400 N 1.316 6 residues pruned to eliminate duplicates Z: 9 11.681 1.561 0.636 0.887 1.000 1.000 N 1.167 9 residues pruned to eliminate duplicates Z: 7 11.443 2.019 0.577 0.857 0.833 0.833 CA 1.298 7 residues pruned to eliminate duplicates Z: 33 22.583 1.918 0.528 0.575 0.906 0.656 CB 1.398 33 residues pruned to eliminate duplicates Z: 11 16.803 1.929 0.297 0.799 1.000 0.500 CA 1.636 11 residues pruned to eliminate duplicates Z: 14 15.617 1.827 0.559 0.862 1.000 0.923 CB 1.117 14 residues pruned to eliminate duplicates Z: 9 12.952 1.835 0.582 0.786 1.000 0.875 CB 1.227 9 residues pruned to eliminate duplicates Z: 16 29.137 2.218 0.686 0.815 0.933 0.800 CB 1.639 16 residues pruned to eliminate duplicates Z: 52 33.393 2.163 0.793 0.474 0.863 0.510 CB 1.435 52 residues pruned to eliminate duplicates Z: 11 13.333 1.755 0.466 0.747 1.000 0.400 CB 1.314 11 residues pruned to eliminate duplicates Z: 14 25.985 2.084 0.789 0.890 1.000 0.923 CB 1.391 14 residues pruned to eliminate duplicates Z: 18 9.491 1.846 0.284 0.405 0.824 0.588 CB 1.303 Z: 12 30.538 2.232 0.731 0.933 1.000 0.818 CB 1.663 12 residues pruned to eliminate duplicates Z: 16 32.595 2.141 0.959 0.889 0.867 0.867 CA 1.667 16 residues pruned to eliminate duplicates Z: 8 3.787 1.920 0.013 0.285 0.714 0.429 CB 1.313 8 residues pruned to eliminate duplicates Z: 30 25.773 2.141 0.650 0.551 0.862 0.552 CB 1.495 30 residues pruned to eliminate duplicates Z: 31 27.720 2.035 0.763 0.602 0.933 0.567 CB 1.371 31 residues pruned to eliminate duplicates Z: 30 50.522 2.147 0.936 0.925 1.000 0.586 CB 1.583 30 residues pruned to eliminate duplicates Z: 15 26.903 2.033 0.749 0.926 0.929 0.500 CB 1.527 15 residues pruned to eliminate duplicates Z: 29 22.919 2.220 0.696 0.311 0.929 0.393 CB 1.527 29 residues pruned to eliminate duplicates Z: 15 15.525 1.903 0.239 0.812 0.929 0.500 CB 1.445 15 residues pruned to eliminate duplicates Z: 8 10.164 1.987 0.155 0.896 1.000 0.857 CB 1.199 8 residues pruned to eliminate duplicates Z: 25 29.334 1.953 0.476 0.929 1.000 0.875 CB 1.454 24 residues pruned to eliminate duplicates 6 1.674 1.545 -0.268 0.380 0.800 0.600 CA 0.939 ? Z: 27 34.321 2.104 0.708 0.730 0.962 0.808 CB 1.584 28 residues pruned to eliminate duplicates Z: 15 20.619 1.997 0.411 0.902 1.000 0.857 CB 1.395 15 residues pruned to eliminate duplicates Z: 16 17.843 1.901 0.645 0.811 0.933 0.600 CB 1.204 16 residues pruned to eliminate duplicates Z: 14 18.496 1.931 0.582 0.914 1.000 0.923 CB 1.187 14 residues pruned to eliminate duplicates Z: 9 15.051 1.893 0.693 0.738 1.000 0.625 CB 1.341 9 residues pruned to eliminate duplicates Z: 16 20.501 1.828 0.466 0.869 1.000 0.800 CB 1.443 16 residues pruned to eliminate duplicates Z: 15 15.416 1.762 0.734 0.892 0.929 0.929 CB 1.044 14 residues pruned to eliminate duplicates Z: 14 5.563 1.610 0.505 0.451 0.846 0.538 CB 0.791 Z: 9 2.231 1.687 0.225 0.187 0.750 0.250 CB 0.741 Z: 7 13.271 1.790 0.869 0.720 1.000 0.833 CA 1.327 7 residues pruned to eliminate duplicates Z: 11 3.213 1.440 0.899 0.328 0.700 0.300 CB 0.641 11 residues pruned to eliminate duplicates Z: 8 11.010 1.688 0.817 0.749 0.857 0.714 N 1.267 8 residues pruned to eliminate duplicates Z: 41 24.339 1.984 0.502 0.560 0.925 0.650 CB 1.318 41 residues pruned to eliminate duplicates Z: 16 20.008 1.886 0.376 0.869 0.933 0.733 N 1.557 16 residues pruned to eliminate duplicates Z: 33 35.754 2.129 0.995 0.597 0.875 0.594 CB 1.550 33 residues pruned to eliminate duplicates Z: 31 51.008 2.226 0.753 0.946 1.000 0.800 CB 1.650 31 residues pruned to eliminate duplicates Z: 10 11.127 1.726 0.243 0.841 1.000 0.778 CA 1.289 10 residues pruned to eliminate duplicates Z: 16 15.645 1.778 0.610 0.905 1.000 0.600 CB 1.005 16 residues pruned to eliminate duplicates Z: 12 21.927 2.076 0.347 0.938 1.000 0.909 CA 1.644 12 residues pruned to eliminate duplicates Z: 23 25.323 2.014 0.345 0.869 1.000 0.864 CB 1.456 23 residues pruned to eliminate duplicates Z: 16 8.236 1.635 0.146 0.599 0.933 0.800 CB 1.107 Z: 15 14.018 1.780 0.277 0.912 1.000 0.929 CB 1.167 15 residues pruned to eliminate duplicates Z: 43 72.371 2.278 1.159 0.838 0.976 0.833 CA 1.739 43 residues pruned to eliminate duplicates Z: 13 11.560 2.040 0.894 0.460 0.833 0.583 CB 1.080 13 residues pruned to eliminate duplicates Z: 13 11.274 1.697 0.444 0.906 1.000 0.833 CB 0.945 13 residues pruned to eliminate duplicates Z: 7 5.770 1.636 0.396 0.842 1.000 1.000 CB 0.769 7 residues pruned to eliminate duplicates Z: 26 48.244 2.212 0.947 0.926 0.960 0.560 CB 1.636 26 residues pruned to eliminate duplicates Z: 9 2.683 1.522 0.142 0.285 0.625 0.625 N 1.112 Z: 18 24.729 1.857 0.587 0.902 1.000 0.882 CA 1.453 18 residues pruned to eliminate duplicates Z: 12 12.119 1.941 0.615 0.576 0.818 0.545 CB 1.324 12 residues pruned to eliminate duplicates Z: 80 46.064 2.009 0.727 0.663 0.975 0.532 CB 1.318 66 residues pruned to eliminate duplicates Z: 31 22.938 1.939 0.446 0.608 0.933 0.667 CB 1.445 31 residues pruned to eliminate duplicates Z: 12 21.162 2.088 0.443 0.900 0.909 0.818 CA 1.665 12 residues pruned to eliminate duplicates Z: 31 25.301 2.009 0.526 0.634 0.933 0.600 CB 1.423 32 residues pruned to eliminate duplicates Z: 30 26.153 1.863 0.244 0.908 0.966 0.793 O 1.541 30 residues pruned to eliminate duplicates Z: 27 36.994 2.050 0.680 0.928 0.962 0.462 CB 1.534 27 residues pruned to eliminate duplicates Z: 12 20.801 2.065 0.468 0.912 1.000 0.909 CA 1.466 12 residues pruned to eliminate duplicates Z: 46 30.721 2.182 0.682 0.533 0.822 0.489 CB 1.469 45 residues pruned to eliminate duplicates Z: 25 27.384 1.843 0.512 0.896 0.917 0.875 O 1.569 25 residues pruned to eliminate duplicates Z: 24 27.108 1.886 0.719 0.892 0.913 0.522 CB 1.372 24 residues pruned to eliminate duplicates Z: 18 12.404 1.843 0.650 0.470 0.882 0.471 CB 1.156 18 residues pruned to eliminate duplicates Z: 29 43.709 2.047 0.902 0.941 1.000 0.750 CB 1.472 29 residues pruned to eliminate duplicates Z: 7 18.139 1.850 1.151 0.863 1.000 1.000 CB 1.365 11 residues pruned to eliminate duplicates Z: 14 25.917 1.944 0.720 0.913 1.000 0.692 CB 1.521 14 residues pruned to eliminate duplicates Z: 18 24.545 1.932 0.713 0.864 0.941 0.765 CB 1.401 17 residues pruned to eliminate duplicates Z: 12 17.556 1.923 0.500 0.841 0.818 0.727 CB 1.673 12 residues pruned to eliminate duplicates Z: 11 16.221 1.897 0.638 0.698 1.000 0.900 CB 1.379 11 residues pruned to eliminate duplicates Z: 19 21.266 1.744 0.517 0.938 1.000 0.611 CB 1.317 15 residues pruned to eliminate duplicates Z: 7 9.278 1.744 0.453 0.720 1.000 0.667 N 1.225 Z: 14 23.015 1.874 0.785 0.936 1.000 0.692 CB 1.329 14 residues pruned to eliminate duplicates Z: 15 10.475 1.813 0.328 0.811 0.857 0.357 CB 1.035 15 residues pruned to eliminate duplicates Z: 24 32.964 1.910 0.732 0.878 0.957 0.739 CB 1.576 24 residues pruned to eliminate duplicates Z: 16 20.839 1.919 0.646 0.810 1.000 0.800 CB 1.301 16 residues pruned to eliminate duplicates Z: 13 10.798 1.755 0.349 0.562 1.000 0.833 CB 1.240 Z: 24 25.126 2.034 0.664 0.627 0.913 0.304 CB 1.505 24 residues pruned to eliminate duplicates Z: 12 18.376 1.825 0.623 0.870 1.000 0.727 CB 1.366 12 residues pruned to eliminate duplicates Z: 30 36.822 2.094 0.915 0.887 0.862 0.276 CB 1.426 30 residues pruned to eliminate duplicates Z: 31 18.870 1.996 0.394 0.488 0.867 0.600 CB 1.446 31 residues pruned to eliminate duplicates Z: 18 18.921 1.923 0.718 0.880 0.941 0.647 CB 1.069 18 residues pruned to eliminate duplicates Z: 24 29.998 2.072 0.575 0.849 0.957 0.783 CB 1.485 24 residues pruned to eliminate duplicates Z: 40 34.552 2.001 0.725 0.742 0.974 0.590 CB 1.325 40 residues pruned to eliminate duplicates Z: 15 11.588 1.874 0.325 0.747 0.929 0.643 CB 1.078 15 residues pruned to eliminate duplicates Z: 29 33.557 1.972 0.352 0.917 1.000 0.893 O 1.680 29 residues pruned to eliminate duplicates Z: 12 19.058 1.806 0.926 0.911 0.909 0.636 CA 1.288 12 residues pruned to eliminate duplicates Z: 15 17.211 1.865 0.440 0.869 0.929 0.857 CB 1.347 15 residues pruned to eliminate duplicates Z: 7 6.626 1.650 0.489 0.499 1.000 0.667 CB 1.102 Z: 14 26.812 2.048 0.589 0.860 1.000 0.769 CA 1.680 14 residues pruned to eliminate duplicates Z: 37 27.542 2.014 0.673 0.611 0.889 0.639 CB 1.380 37 residues pruned to eliminate duplicates Z: 12 7.034 1.732 0.275 0.450 0.727 0.455 CB 1.390 12 residues pruned to eliminate duplicates Z: 29 43.007 2.019 0.991 0.934 1.000 0.393 CB 1.409 29 residues pruned to eliminate duplicates Z: 33 30.476 2.122 1.100 0.594 0.844 0.344 CB 1.310 33 residues pruned to eliminate duplicates Z: 6 4.840 1.539 0.741 0.588 0.800 0.600 CB 0.928 Z: 19 16.947 1.950 0.468 0.524 0.889 0.444 CB 1.532 19 residues pruned to eliminate duplicates Z: 14 22.596 1.895 0.512 0.922 1.000 0.923 CA 1.538 14 residues pruned to eliminate duplicates Z: 15 18.512 2.204 0.463 0.429 0.929 0.571 CB 1.779 15 residues pruned to eliminate duplicates Z: 11 14.259 2.103 0.931 0.451 0.800 0.600 CB 1.460 11 residues pruned to eliminate duplicates Z: 65 39.589 1.995 0.632 0.667 0.922 0.562 CB 1.412 66 residues pruned to eliminate duplicates Z: 25 27.439 2.058 0.439 0.812 1.000 0.833 CB 1.442 25 residues pruned to eliminate duplicates Z: 10 10.711 1.608 0.234 0.900 1.000 1.000 CB 1.285 10 residues pruned to eliminate duplicates Z: 7 5.455 1.542 0.158 0.735 1.000 0.500 CB 1.010 Z: 6 2.493 1.322 -0.012 0.479 0.800 0.600 C 1.091 Z: 27 40.070 2.014 0.972 0.929 1.000 0.769 CB 1.384 27 residues pruned to eliminate duplicates Z: 25 28.354 1.972 0.544 0.869 1.000 0.583 CB 1.388 25 residues pruned to eliminate duplicates Z: 11 10.608 1.638 0.519 0.843 1.000 0.900 CB 1.004 Z: 19 25.679 2.074 0.568 0.805 1.000 0.667 CB 1.427 19 residues pruned to eliminate duplicates Z: 32 22.230 2.068 0.496 0.551 0.871 0.645 CB 1.410 32 residues pruned to eliminate duplicates Z: 15 20.412 1.868 0.509 0.918 1.000 0.857 CB 1.364 14 residues pruned to eliminate duplicates Z: 14 24.142 1.948 0.578 0.911 1.000 0.923 CB 1.544 14 residues pruned to eliminate duplicates Z: 46 24.381 1.954 0.795 0.424 0.778 0.489 CB 1.442 46 residues pruned to eliminate duplicates Z: 9 14.867 1.860 0.781 0.796 0.875 0.750 CB 1.399 9 residues pruned to eliminate duplicates Z: 15 21.429 1.918 0.754 0.906 1.000 0.929 CB 1.211 15 residues pruned to eliminate duplicates Z: 12 8.100 1.934 0.277 0.255 0.909 0.545 CB 1.441 12 residues pruned to eliminate duplicates Z: 16 31.783 1.990 0.870 0.935 0.933 0.533 CA 1.646 16 residues pruned to eliminate duplicates Z: 15 20.721 2.030 0.490 0.861 0.929 0.786 CB 1.449 15 residues pruned to eliminate duplicates Z: 6 5.398 1.557 0.217 0.724 1.000 0.800 N 1.041 Z: 6 2.222 1.682 -0.171 0.460 0.600 0.600 N 1.237 Z: 25 15.298 1.917 0.761 0.445 0.833 0.500 CB 1.175 25 residues pruned to eliminate duplicates Z: 13 6.074 1.535 0.402 0.655 0.917 0.583 CB 0.769 7 residues pruned to eliminate duplicates Z: 12 25.728 2.022 0.753 0.893 1.000 0.818 CB 1.570 12 residues pruned to eliminate duplicates Z: 42 41.698 2.170 0.790 0.712 0.878 0.707 CB 1.576 42 residues pruned to eliminate duplicates Z: 10 11.752 1.712 0.458 0.886 1.000 0.889 CB 1.132 11 residues pruned to eliminate duplicates Z: 9 13.240 1.801 0.428 0.890 0.875 0.875 CB 1.498 9 residues pruned to eliminate duplicates Z: 62 29.965 2.092 0.533 0.466 0.902 0.574 CB 1.373 62 residues pruned to eliminate duplicates Z: 9 9.958 1.753 0.362 0.836 1.000 0.750 CB 1.103 9 residues pruned to eliminate duplicates Z: 14 8.682 1.802 0.306 0.421 0.846 0.462 CB 1.313 14 residues pruned to eliminate duplicates Z: 6 6.750 1.388 0.637 0.856 1.000 0.600 O 0.980 6 residues pruned to eliminate duplicates Z: 31 60.398 2.128 1.300 0.948 0.967 0.367 CB 1.610 31 residues pruned to eliminate duplicates Z: 11 10.930 1.706 0.390 0.873 1.000 0.700 CB 1.062 11 residues pruned to eliminate duplicates Z: 18 18.794 1.715 0.610 0.897 1.000 0.647 CB 1.182 18 residues pruned to eliminate duplicates Z: 25 23.167 1.805 0.324 0.888 1.000 0.958 O 1.426 25 residues pruned to eliminate duplicates Z: 11 12.851 1.838 0.365 0.913 1.000 0.800 CB 1.147 12 residues pruned to eliminate duplicates Z: 46 29.760 2.035 0.576 0.551 0.956 0.689 CB 1.378 46 residues pruned to eliminate duplicates Z: 27 43.767 2.082 1.059 0.930 0.962 0.577 CB 1.456 27 residues pruned to eliminate duplicates Z: 15 20.343 2.012 0.392 0.939 0.929 0.857 CB 1.453 15 residues pruned to eliminate duplicates Z: 8 4.309 1.426 0.522 0.293 0.857 0.571 O 1.104 Z: 17 28.967 2.152 0.736 0.808 0.938 0.750 CB 1.581 17 residues pruned to eliminate duplicates Z: 6 3.442 1.652 0.308 0.297 0.800 0.800 CB 1.117 Z: 16 18.441 1.668 0.650 0.843 0.933 0.600 CB 1.380 16 residues pruned to eliminate duplicates Z: 24 26.578 1.891 0.705 0.857 0.870 0.609 CB 1.457 24 residues pruned to eliminate duplicates Z: 53 31.473 1.999 0.655 0.535 0.923 0.577 CB 1.381 53 residues pruned to eliminate duplicates Z: 52 23.563 1.992 0.416 0.463 0.863 0.510 CB 1.407 52 residues pruned to eliminate duplicates Z: 23 30.184 1.882 0.839 0.903 0.909 0.545 CB 1.458 23 residues pruned to eliminate duplicates Z: 13 16.670 2.003 0.649 0.588 0.833 0.417 CB 1.607 13 residues pruned to eliminate duplicates Z: 16 11.310 1.759 0.526 0.480 0.867 0.600 CB 1.281 12 residues pruned to eliminate duplicates Z: 25 20.485 1.978 0.344 0.632 0.875 0.625 CA 1.588 25 residues pruned to eliminate duplicates Z: 6 11.757 1.942 0.430 0.838 1.000 0.600 CA 1.415 6 residues pruned to eliminate duplicates Z: 18 19.210 1.989 0.650 0.627 0.882 0.706 CB 1.427 18 residues pruned to eliminate duplicates Z: 14 21.273 1.992 0.365 0.930 1.000 0.923 CB 1.517 14 residues pruned to eliminate duplicates Z: 29 37.072 2.002 0.793 0.921 0.964 0.643 CB 1.424 29 residues pruned to eliminate duplicates Z: 16 5.854 1.643 0.477 0.400 0.667 0.600 CB 1.037 16 residues pruned to eliminate duplicates Z: 31 19.921 1.884 0.457 0.595 0.833 0.567 CB 1.452 22 residues pruned to eliminate duplicates Z: 20 27.090 2.080 0.931 0.581 0.895 0.579 CA 1.599 20 residues pruned to eliminate duplicates Z: 14 24.996 1.871 0.677 0.883 1.000 0.769 CB 1.598 14 residues pruned to eliminate duplicates Z: 15 21.586 1.951 0.471 0.911 0.929 0.857 CA 1.534 15 residues pruned to eliminate duplicates Z: 7 7.660 1.717 0.469 0.797 0.833 0.500 CB 1.147 7 residues pruned to eliminate duplicates Z: 7 4.593 1.495 0.749 0.432 0.833 0.667 CB 0.923 Z: 15 18.608 1.938 0.671 0.839 0.929 0.571 CB 1.235 15 residues pruned to eliminate duplicates Z: 39 20.581 1.839 0.501 0.518 0.895 0.474 CB 1.328 42 residues pruned to eliminate duplicates Z: 13 18.032 1.975 0.564 0.861 0.833 0.750 CA 1.485 14 residues pruned to eliminate duplicates Z: 6 9.687 1.853 0.167 0.889 1.000 1.000 CB 1.442 6 residues pruned to eliminate duplicates Z: 7 8.932 1.629 0.246 0.859 1.000 0.500 N 1.322 6 residues pruned to eliminate duplicates Z: 22 32.272 1.972 0.828 0.893 0.952 0.619 CB 1.472 22 residues pruned to eliminate duplicates Z: 11 12.121 1.778 0.623 0.903 0.900 0.500 CB 1.052 11 residues pruned to eliminate duplicates Z: 15 6.402 1.558 0.454 0.338 0.857 0.571 CB 1.051 15 residues pruned to eliminate duplicates Z: 7 12.856 1.893 0.459 0.881 1.000 0.833 CB 1.376 7 residues pruned to eliminate duplicates Z: 29 32.918 1.922 0.504 0.905 0.964 0.857 CA 1.589 29 residues pruned to eliminate duplicates Z: 17 16.747 1.936 0.347 0.804 0.938 0.688 CB 1.314 17 residues pruned to eliminate duplicates Z: 31 15.230 1.681 0.474 0.630 0.867 0.433 CB 1.146 24 residues pruned to eliminate duplicates Z: 18 20.304 2.152 0.533 0.423 0.941 0.529 CB 1.718 18 residues pruned to eliminate duplicates Z: 11 10.273 1.757 0.567 0.636 0.900 0.700 CB 1.154 11 residues pruned to eliminate duplicates Z: 11 9.046 1.656 0.361 0.705 0.900 0.500 CA 1.171 11 residues pruned to eliminate duplicates Z: 12 16.120 1.906 0.579 0.846 0.909 0.636 CA 1.320 12 residues pruned to eliminate duplicates Z: 27 37.939 2.047 0.903 0.941 1.000 0.846 CB 1.325 27 residues pruned to eliminate duplicates Z: 9 9.834 1.740 0.334 0.765 1.000 0.500 CB 1.184 9 residues pruned to eliminate duplicates Z: 14 31.438 2.208 0.781 0.916 1.000 0.538 CA 1.566 14 residues pruned to eliminate duplicates Z: 26 7.260 1.710 0.444 0.308 0.760 0.400 CB 0.958 23 residues pruned to eliminate duplicates Z: 14 17.755 1.882 0.735 0.889 1.000 0.692 CB 1.085 14 residues pruned to eliminate duplicates Z: 17 25.660 2.006 0.774 0.829 0.938 0.750 CB 1.447 17 residues pruned to eliminate duplicates Z: 19 17.326 1.953 0.635 0.544 0.889 0.556 CB 1.378 15 residues pruned to eliminate duplicates Z: 16 18.470 2.115 0.494 0.727 0.800 0.533 CB 1.539 16 residues pruned to eliminate duplicates Z: 12 12.777 1.752 0.377 0.929 1.000 1.000 CB 1.117 12 residues pruned to eliminate duplicates Z: 13 15.887 1.756 0.561 0.840 1.000 0.917 CA 1.248 13 residues pruned to eliminate duplicates Z: 27 43.410 2.099 0.902 0.941 1.000 0.615 CB 1.480 27 residues pruned to eliminate duplicates Z: 15 26.981 2.023 0.761 0.917 1.000 0.929 CB 1.428 15 residues pruned to eliminate duplicates Z: 14 24.267 2.226 0.246 0.894 1.000 1.000 CA 1.741 14 residues pruned to eliminate duplicates Z: 32 21.653 1.864 0.558 0.619 0.839 0.355 CB 1.426 32 residues pruned to eliminate duplicates Z: 30 35.093 1.936 0.535 0.904 0.966 0.793 CB 1.617 30 residues pruned to eliminate duplicates Z: 17 11.672 1.786 0.463 0.501 0.938 0.562 CB 1.190 13 residues pruned to eliminate duplicates Z: 7 2.862 1.457 0.450 0.408 0.667 0.500 CB 0.914 Z: 22 22.218 1.885 0.716 0.886 1.000 0.762 CB 1.081 22 residues pruned to eliminate duplicates Z: 15 13.034 1.810 0.513 0.861 0.857 0.714 CB 1.091 15 residues pruned to eliminate duplicates Z: 16 21.449 1.952 0.721 0.767 0.933 0.600 CB 1.394 16 residues pruned to eliminate duplicates Z: 29 31.963 1.955 0.376 0.908 1.000 0.821 CA 1.594 29 residues pruned to eliminate duplicates Z: 14 7.873 1.655 0.294 0.827 0.846 0.769 CB 0.908 14 residues pruned to eliminate duplicates Z: 7 4.257 1.631 0.082 0.468 0.833 0.333 CB 1.220 Z: 19 14.509 1.862 0.773 0.571 0.833 0.278 CB 1.160 19 residues pruned to eliminate duplicates Z: 10 9.486 1.778 0.287 0.852 1.000 0.778 CB 1.022 10 residues pruned to eliminate duplicates Z: 8 2.527 1.512 0.365 0.237 0.857 0.571 CB 0.733 Z: 18 8.731 1.815 0.156 0.495 0.824 0.588 CB 1.232 18 residues pruned to eliminate duplicates Z: 11 19.356 1.931 0.505 0.885 1.000 0.900 CB 1.521 11 residues pruned to eliminate duplicates Z: 22 25.132 2.019 0.421 0.892 0.952 0.905 CB 1.442 22 residues pruned to eliminate duplicates Z: 10 17.747 2.189 0.356 0.840 1.000 0.556 CB 1.488 10 residues pruned to eliminate duplicates Z: 38 30.173 1.930 0.781 0.699 0.865 0.459 CB 1.392 38 residues pruned to eliminate duplicates Z: 10 6.785 1.840 0.329 0.427 0.889 0.556 CB 1.122 Z: 16 15.325 1.741 0.340 0.879 0.933 0.933 CB 1.317 16 residues pruned to eliminate duplicates Z: 7 5.991 1.601 0.502 0.578 1.000 0.500 CB 0.944 8 residues pruned to eliminate duplicates Z: 27 25.258 1.999 0.500 0.655 0.962 0.731 CB 1.487 27 residues pruned to eliminate duplicates Z: 16 25.832 2.008 0.743 0.884 0.933 0.333 CB 1.476 16 residues pruned to eliminate duplicates Z: 51 28.334 1.988 0.617 0.543 0.940 0.600 CB 1.271 51 residues pruned to eliminate duplicates Z: 30 28.083 2.017 0.528 0.630 0.966 0.759 CB 1.550 41 residues pruned to eliminate duplicates Z: 10 24.374 2.140 1.065 0.870 0.889 0.333 CB 1.510 10 residues pruned to eliminate duplicates Z: 21 32.863 1.998 0.975 0.940 0.950 0.700 CB 1.362 21 residues pruned to eliminate duplicates Z: 48 23.309 1.900 0.710 0.525 0.872 0.468 CB 1.170 48 residues pruned to eliminate duplicates Z: 17 24.618 2.021 0.614 0.862 0.938 0.938 CB 1.478 17 residues pruned to eliminate duplicates Z: 21 15.329 1.583 0.395 0.822 0.950 0.700 CB 1.236 20 residues pruned to eliminate duplicates Z: 31 31.681 1.978 0.713 0.680 0.933 0.667 CA 1.549 31 residues pruned to eliminate duplicates Z: 33 28.272 2.077 0.677 0.545 0.906 0.625 CB 1.515 31 residues pruned to eliminate duplicates Z: 11 11.617 1.684 0.426 0.897 1.000 0.900 CB 1.095 10 residues pruned to eliminate duplicates Z: 11 14.036 2.051 0.109 0.930 1.000 1.000 CB 1.365 11 residues pruned to eliminate duplicates Z: 15 25.439 2.006 0.758 0.903 1.000 0.714 CB 1.373 15 residues pruned to eliminate duplicates Z: 8 2.961 1.628 0.388 0.214 0.714 0.286 N 0.971 Z: 17 24.520 2.034 0.555 0.853 0.938 0.750 CB 1.528 17 residues pruned to eliminate duplicates Z: 18 25.542 1.993 0.668 0.825 1.000 0.706 CA 1.406 18 residues pruned to eliminate duplicates Z: 9 7.918 1.655 0.788 0.675 0.875 0.625 CB 0.920 9 residues pruned to eliminate duplicates Z: 8 6.347 1.571 0.159 0.718 1.000 0.571 CB 1.082 8 residues pruned to eliminate duplicates Z: 12 12.727 1.664 0.440 0.875 1.000 0.909 CB 1.164 11 residues pruned to eliminate duplicates Z: 9 5.444 1.452 0.463 0.573 0.875 0.875 CB 0.965 7 residues pruned to eliminate duplicates Z: 8 5.583 1.599 0.661 0.574 0.714 0.571 CB 1.036 Z: 24 24.903 1.809 0.444 0.900 1.000 0.957 CB 1.420 24 residues pruned to eliminate duplicates Z: 30 33.276 1.940 0.577 0.900 0.931 0.690 CB 1.549 30 residues pruned to eliminate duplicates Z: 13 17.811 2.033 0.364 0.856 0.917 0.750 CB 1.491 13 residues pruned to eliminate duplicates Z: 27 27.181 2.050 0.618 0.660 0.923 0.769 CB 1.501 28 residues pruned to eliminate duplicates Z: 17 12.894 1.853 0.434 0.636 0.875 0.750 CB 1.220 17 residues pruned to eliminate duplicates Z: 24 29.669 2.044 0.410 0.881 1.000 0.870 CA 1.554 24 residues pruned to eliminate duplicates Z: 12 24.748 1.991 1.205 0.795 1.000 0.455 CB 1.312 12 residues pruned to eliminate duplicates Z: 14 14.946 2.062 0.564 0.527 0.846 0.538 CA 1.479 14 residues pruned to eliminate duplicates Z: 12 7.236 1.816 0.125 0.595 0.909 0.636 CB 1.073 8 residues pruned to eliminate duplicates Z: 28 30.336 2.023 0.966 0.901 0.852 0.481 CB 1.230 28 residues pruned to eliminate duplicates Z: 8 4.551 1.529 0.609 0.724 0.857 0.286 CB 0.666 8 residues pruned to eliminate duplicates Z: 12 9.903 1.767 0.594 0.470 0.818 0.818 CB 1.336 10 residues pruned to eliminate duplicates Z: 20 22.162 2.027 0.288 0.844 0.947 0.947 CA 1.530 20 residues pruned to eliminate duplicates Z: 11 5.783 1.781 0.250 0.304 0.800 0.500 CB 1.278 13 residues pruned to eliminate duplicates Z: 15 22.601 1.877 0.594 0.825 1.000 0.786 CA 1.525 15 residues pruned to eliminate duplicates Z: 7 8.841 1.699 0.365 0.828 0.833 0.833 O 1.406 7 residues pruned to eliminate duplicates Z: 17 25.355 1.993 0.699 0.845 0.938 0.875 CB 1.484 17 residues pruned to eliminate duplicates Z: 21 20.665 1.730 0.718 0.906 1.000 0.750 CB 1.106 21 residues pruned to eliminate duplicates Z: 21 13.049 1.666 0.650 0.912 0.950 0.500 CB 0.792 21 residues pruned to eliminate duplicates Z: 37 24.373 2.161 0.774 0.444 0.861 0.556 CB 1.304 37 residues pruned to eliminate duplicates Z: 17 9.878 1.738 0.403 0.494 0.938 0.688 CB 1.086 17 residues pruned to eliminate duplicates Z: 33 22.176 1.953 0.501 0.594 0.906 0.500 CB 1.349 33 residues pruned to eliminate duplicates Z: 31 37.737 2.164 1.088 0.599 0.867 0.533 CB 1.600 31 residues pruned to eliminate duplicates Z: 10 20.366 2.281 0.312 0.912 1.000 1.000 CB 1.606 10 residues pruned to eliminate duplicates Z: 15 20.988 1.879 0.468 0.922 1.000 1.000 CA 1.430 15 residues pruned to eliminate duplicates Z: 15 25.664 2.164 0.521 0.876 0.929 0.857 CA 1.631 15 residues pruned to eliminate duplicates Z: 25 24.959 1.994 0.464 0.869 0.958 0.750 CB 1.330 25 residues pruned to eliminate duplicates Z: 12 12.790 1.758 0.416 0.855 1.000 0.636 CB 1.144 12 residues pruned to eliminate duplicates Z: 25 13.116 1.705 0.638 0.533 0.875 0.375 CB 1.061 25 residues pruned to eliminate duplicates Z: 15 10.745 1.677 0.170 0.822 1.000 0.857 CB 1.107 15 residues pruned to eliminate duplicates Z: 42 52.757 2.307 0.781 0.777 0.951 0.854 CA 1.651 42 residues pruned to eliminate duplicates Z: 15 12.205 1.805 0.667 0.522 0.857 0.500 CB 1.238 12 residues pruned to eliminate duplicates Z: 8 10.328 1.870 0.589 0.729 1.000 0.857 CA 1.070 8 residues pruned to eliminate duplicates Z: 14 10.747 2.018 0.798 0.389 0.846 0.538 CB 1.093 14 residues pruned to eliminate duplicates Z: 36 23.782 1.904 0.625 0.592 0.829 0.514 CB 1.435 36 residues pruned to eliminate duplicates Z: 15 26.015 1.984 0.740 0.907 1.000 0.714 CB 1.432 15 residues pruned to eliminate duplicates Z: 9 10.729 1.601 0.376 0.857 1.000 0.625 O 1.269 9 residues pruned to eliminate duplicates Z: 62 48.285 2.126 0.770 0.651 0.918 0.770 CB 1.554 62 residues pruned to eliminate duplicates Z: 13 12.330 1.678 0.395 0.904 1.000 0.917 CA 1.083 13 residues pruned to eliminate duplicates Z: 21 23.581 1.929 0.739 0.866 1.000 0.550 CB 1.150 21 residues pruned to eliminate duplicates Z: 27 21.408 2.050 0.630 0.582 0.846 0.615 CB 1.373 27 residues pruned to eliminate duplicates Z: 10 21.708 2.071 0.610 0.929 1.000 1.000 CA 1.519 10 residues pruned to eliminate duplicates Z: 17 10.374 1.818 0.368 0.464 0.812 0.562 CB 1.332 17 residues pruned to eliminate duplicates Z: 12 14.671 1.765 0.781 0.809 0.909 0.545 CB 1.182 12 residues pruned to eliminate duplicates Z: 19 28.999 2.137 0.682 0.708 0.944 0.722 CB 1.667 19 residues pruned to eliminate duplicates Z: 10 8.982 1.978 0.299 0.405 0.889 0.556 CB 1.448 9 residues pruned to eliminate duplicates Z: 7 2.715 1.430 0.203 0.543 0.667 0.500 CB 0.926 Z: 31 45.426 2.264 0.635 0.923 1.000 0.800 CA 1.575 31 residues pruned to eliminate duplicates Z: 15 13.303 1.801 0.330 0.864 0.857 0.786 CB 1.270 15 residues pruned to eliminate duplicates Z: 15 23.311 1.940 0.692 0.824 0.929 0.714 CA 1.544 15 residues pruned to eliminate duplicates Z: 39 23.483 2.117 0.511 0.428 0.868 0.526 CB 1.478 39 residues pruned to eliminate duplicates Z: 40 22.934 1.992 0.547 0.522 0.897 0.615 CB 1.299 40 residues pruned to eliminate duplicates Z: 30 44.698 2.257 0.636 0.918 1.000 0.828 CA 1.585 30 residues pruned to eliminate duplicates Z: 10 15.151 1.838 0.687 0.863 1.000 0.889 CA 1.196 10 residues pruned to eliminate duplicates Z: 13 18.319 1.840 0.671 0.833 0.917 0.583 CB 1.408 13 residues pruned to eliminate duplicates Z: 7 3.439 1.673 -0.131 0.708 0.833 0.833 CB 0.959 7 residues pruned to eliminate duplicates Z: 46 38.469 2.240 0.851 0.543 0.889 0.489 CB 1.492 45 residues pruned to eliminate duplicates Z: 17 8.233 1.623 0.261 0.482 0.875 0.750 CB 1.170 17 residues pruned to eliminate duplicates Z: 11 5.752 1.840 0.406 0.420 0.600 0.600 CB 1.273 11 residues pruned to eliminate duplicates Z: 6 9.238 1.663 0.830 0.841 1.000 0.600 CB 1.012 7 residues pruned to eliminate duplicates Z: 7 8.080 1.762 0.569 0.564 0.833 0.833 CB 1.346 Z: 33 20.869 1.900 0.885 0.502 0.875 0.531 CB 1.174 33 residues pruned to eliminate duplicates Z: 27 27.438 2.033 0.669 0.680 0.962 0.731 CB 1.397 27 residues pruned to eliminate duplicates Z: 23 32.805 2.039 0.632 0.895 1.000 0.636 CB 1.506 23 residues pruned to eliminate duplicates Z: 20 37.099 2.099 0.948 0.858 1.000 0.947 CB 1.532 20 residues pruned to eliminate duplicates Z: 8 7.959 1.497 0.458 0.837 0.857 0.857 CB 1.203 8 residues pruned to eliminate duplicates Z: 33 28.671 2.018 0.881 0.700 0.812 0.500 CB 1.370 33 residues pruned to eliminate duplicates Z: 7 9.587 1.864 0.760 0.754 0.833 0.667 CA 1.142 7 residues pruned to eliminate duplicates Z: 17 23.728 2.072 0.987 0.898 0.750 0.562 CB 1.374 17 residues pruned to eliminate duplicates Z: 16 16.435 1.689 0.573 0.897 1.000 0.800 CB 1.143 16 residues pruned to eliminate duplicates Z: 21 24.633 1.915 0.694 0.789 0.950 0.800 CB 1.387 21 residues pruned to eliminate duplicates Z: 11 3.047 1.599 0.137 0.191 0.700 0.300 CB 1.095 Z: 22 14.815 2.045 0.706 0.301 0.905 0.571 CA 1.278 22 residues pruned to eliminate duplicates Z: 47 22.792 2.068 0.531 0.394 0.848 0.500 CB 1.401 71 residues pruned to eliminate duplicates Z: 43 23.761 1.958 0.640 0.515 0.929 0.667 CB 1.211 43 residues pruned to eliminate duplicates Z: 81 38.111 2.084 0.626 0.513 0.900 0.475 CB 1.379 81 residues pruned to eliminate duplicates Z: 11 9.106 1.469 0.223 0.810 1.000 0.800 O 1.224 6 residues pruned to eliminate duplicates Z: 9 19.035 1.856 0.972 0.873 1.000 0.500 CB 1.339 9 residues pruned to eliminate duplicates Z: 17 14.141 1.719 0.373 0.872 1.000 0.750 CB 1.092 17 residues pruned to eliminate duplicates Z: 9 6.601 1.879 0.332 0.481 0.875 0.500 CB 1.086 8 residues pruned to eliminate duplicates Z: 29 31.377 1.947 0.466 0.890 0.964 0.821 CB 1.549 29 residues pruned to eliminate duplicates Z: 12 15.234 1.644 0.721 0.879 1.000 0.636 CB 1.177 12 residues pruned to eliminate duplicates Z: 37 28.760 1.882 0.535 0.688 0.944 0.611 CB 1.478 37 residues pruned to eliminate duplicates Z: 13 6.302 1.758 0.201 0.458 0.833 0.500 CB 1.080 13 residues pruned to eliminate duplicates Z: 29 19.352 1.799 0.575 0.616 0.929 0.536 CB 1.245 29 residues pruned to eliminate duplicates Z: 24 28.132 1.892 0.444 0.903 1.000 0.957 CB 1.529 24 residues pruned to eliminate duplicates Z: 11 12.324 1.768 0.532 0.910 1.000 0.900 CB 1.020 11 residues pruned to eliminate duplicates Z: 15 18.288 2.124 0.660 0.439 0.857 0.357 CA 1.722 15 residues pruned to eliminate duplicates Z: 15 7.173 1.811 0.345 0.309 0.786 0.500 CB 1.238 16 residues pruned to eliminate duplicates Z: 29 30.783 1.942 0.676 0.908 0.893 0.429 CB 1.422 29 residues pruned to eliminate duplicates Z: 13 14.007 1.760 0.420 0.893 1.000 0.667 CB 1.162 13 residues pruned to eliminate duplicates Z: 13 16.014 1.936 0.365 0.803 1.000 0.833 CB 1.343 13 residues pruned to eliminate duplicates Z: 7 7.531 1.612 0.216 0.693 1.000 0.500 CA 1.315 7 residues pruned to eliminate duplicates Z: 9 15.778 2.015 0.431 0.766 1.000 0.625 CB 1.529 9 residues pruned to eliminate duplicates Z: 15 17.140 1.913 0.056 0.927 1.000 1.000 CB 1.589 Z: 6 5.563 1.460 0.902 0.476 0.800 0.400 CB 1.148 Z: 21 12.739 1.697 0.150 0.907 0.950 0.900 CB 1.092 21 residues pruned to eliminate duplicates Z: 6 6.948 1.647 0.663 0.824 1.000 0.400 CB 0.857 6 residues pruned to eliminate duplicates Z: 38 26.564 2.013 0.533 0.596 0.946 0.486 CB 1.365 38 residues pruned to eliminate duplicates Z: 13 10.691 1.827 0.308 0.672 0.833 0.583 CA 1.322 13 residues pruned to eliminate duplicates Z: 6 8.497 2.046 0.496 0.651 1.000 0.800 CB 1.079 6 residues pruned to eliminate duplicates Z: 7 6.559 1.857 0.601 0.561 0.667 0.667 CB 1.273 Z: 16 18.769 1.729 0.761 0.870 1.000 0.867 CB 1.162 16 residues pruned to eliminate duplicates Z: 52 27.816 1.972 0.692 0.570 0.863 0.608 CB 1.265 52 residues pruned to eliminate duplicates Z: 12 13.442 1.836 0.574 0.687 1.000 0.727 CB 1.182 15 residues pruned to eliminate duplicates Z: 8 4.894 1.526 0.020 0.610 1.000 0.714 CB 1.071 8 residues pruned to eliminate duplicates Z: 7 6.321 1.648 -0.061 0.821 1.000 0.333 N 1.262 7 residues pruned to eliminate duplicates Z: 30 44.586 2.212 0.711 0.928 1.000 0.862 CA 1.532 30 residues pruned to eliminate duplicates Z: 29 22.860 2.164 1.074 0.567 0.786 0.643 CB 1.148 57 residues pruned to eliminate duplicates Z: 16 5.048 1.514 0.466 0.305 0.733 0.467 CB 0.994 Z: 35 25.231 2.053 0.582 0.506 0.882 0.529 CB 1.501 35 residues pruned to eliminate duplicates Z: 24 14.606 1.932 0.615 0.497 0.826 0.696 CB 1.185 27 residues pruned to eliminate duplicates Z: 7 9.146 1.751 0.493 0.677 0.833 0.667 CA 1.457 7 residues pruned to eliminate duplicates Z: 20 20.626 2.208 0.547 0.410 0.895 0.526 CB 1.701 20 residues pruned to eliminate duplicates Z: 25 22.137 2.206 0.507 0.474 0.875 0.542 CB 1.594 25 residues pruned to eliminate duplicates Z: 10 10.460 1.926 0.062 0.885 1.000 0.889 CB 1.231 10 residues pruned to eliminate duplicates Z: 12 10.437 1.822 0.448 0.506 0.909 0.727 CB 1.304 12 residues pruned to eliminate duplicates Z: 13 27.802 2.066 0.941 0.834 0.917 0.500 CB 1.636 13 residues pruned to eliminate duplicates Z: 11 26.262 1.971 0.921 0.925 1.000 0.300 CB 1.540 11 residues pruned to eliminate duplicates Z: 10 8.949 1.713 0.759 0.804 0.889 0.667 CB 0.854 10 residues pruned to eliminate duplicates Z: 19 30.670 2.112 0.750 0.890 1.000 0.889 CB 1.408 19 residues pruned to eliminate duplicates Z: 11 14.423 1.721 0.561 0.882 1.000 0.800 CB 1.228 11 residues pruned to eliminate duplicates Z: 9 15.043 2.055 0.200 0.828 1.000 0.750 CB 1.624 9 residues pruned to eliminate duplicates Z: 24 27.317 2.002 0.593 0.852 0.957 0.696 CB 1.381 24 residues pruned to eliminate duplicates Z: 13 19.574 1.832 0.791 0.906 0.833 0.583 CB 1.470 13 residues pruned to eliminate duplicates Z: 14 8.174 1.756 0.243 0.482 0.846 0.462 CB 1.250 14 residues pruned to eliminate duplicates Z: 23 30.807 1.879 0.641 0.905 1.000 0.864 CB 1.517 23 residues pruned to eliminate duplicates Z: 8 3.235 1.605 0.813 0.254 0.714 0.429 CA 0.780 Z: 15 23.385 2.003 0.694 0.901 0.929 0.786 CB 1.416 15 residues pruned to eliminate duplicates Z: 11 15.041 1.802 0.571 0.884 1.000 0.700 CB 1.214 11 residues pruned to eliminate duplicates Z: 6 4.039 1.555 -0.262 0.612 1.000 0.600 O 1.415 5 residues pruned to eliminate duplicates Z: 17 19.309 1.848 0.306 0.875 1.000 0.875 CA 1.455 15 residues pruned to eliminate duplicates Z: 6 4.196 1.515 0.166 0.562 1.000 0.600 CB 1.000 7 0.721 1.164 0.411 0.475 0.667 0.333 C 0.276 ? Z: 28 31.303 2.041 0.599 0.696 1.000 0.815 CB 1.544 28 residues pruned to eliminate duplicates Z: 22 27.196 2.223 0.793 0.532 0.952 0.619 CB 1.515 22 residues pruned to eliminate duplicates Z: 14 9.609 1.691 0.172 0.597 0.923 0.692 CB 1.328 14 residues pruned to eliminate duplicates Z: 23 18.996 1.959 0.526 0.579 0.955 0.591 CB 1.315 23 residues pruned to eliminate duplicates Z: 6 5.316 1.450 0.635 0.638 1.000 0.400 CB 0.881 Z: 7 14.782 1.805 0.844 0.837 1.000 1.000 CA 1.357 8 residues pruned to eliminate duplicates Z: 7 3.278 1.522 0.600 0.394 0.833 0.500 CB 0.737 Z: 9 8.709 1.902 0.119 0.867 1.000 0.750 CB 1.058 9 residues pruned to eliminate duplicates Z: 16 22.395 1.877 0.516 0.881 1.000 0.467 CB 1.471 16 residues pruned to eliminate duplicates Z: 37 30.321 2.022 0.584 0.608 0.972 0.694 CB 1.465 37 residues pruned to eliminate duplicates Z: 24 29.568 2.024 0.713 0.845 1.000 0.652 CB 1.322 24 residues pruned to eliminate duplicates Z: 20 32.198 2.052 0.725 0.779 1.000 0.789 CA 1.631 20 residues pruned to eliminate duplicates Z: 11 3.349 1.313 0.505 0.149 0.800 0.500 O 1.031 7 1.793 1.003 1.031 0.620 0.833 0.667 CA 0.385 ? Z: 8 2.274 1.413 -0.018 0.381 0.857 0.714 CB 0.820 Z: 7 2.392 1.518 0.313 0.300 0.667 0.500 CB 0.919 Z: 19 22.292 1.984 0.953 0.772 0.833 0.444 CB 1.280 19 residues pruned to eliminate duplicates Z: 28 14.596 1.999 0.712 0.429 0.815 0.556 CB 1.085 28 residues pruned to eliminate duplicates Z: 10 2.959 1.681 0.327 0.448 0.889 0.778 CB 0.525 6 1.905 1.703 -0.210 0.541 0.800 0.400 CB 0.761 ? Z: 7 10.901 1.948 0.430 0.870 0.833 0.833 CB 1.400 11 residues pruned to eliminate duplicates Z: 16 9.832 1.788 0.568 0.282 0.933 0.667 CB 1.241 16 residues pruned to eliminate duplicates Z: 45 20.907 1.850 0.556 0.522 0.818 0.568 CB 1.309 45 residues pruned to eliminate duplicates Z: 10 12.535 2.201 0.227 0.751 0.889 0.444 CB 1.391 10 residues pruned to eliminate duplicates Z: 6 2.117 1.445 0.609 0.389 0.800 0.800 N 0.572 Z: 7 7.876 1.707 0.665 0.826 1.000 0.833 CB 0.853 7 residues pruned to eliminate duplicates Z: 22 28.792 1.930 0.818 0.937 0.952 0.714 CB 1.308 22 residues pruned to eliminate duplicates Z: 27 18.447 1.926 0.504 0.528 1.000 0.692 CB 1.215 27 residues pruned to eliminate duplicates Z: 20 19.896 1.702 0.748 0.879 0.947 0.579 CB 1.175 19 residues pruned to eliminate duplicates Z: 6 4.774 1.710 0.576 0.595 0.800 0.600 CA 0.904 Z: 25 10.552 1.597 0.387 0.404 0.875 0.625 CB 1.228 25 residues pruned to eliminate duplicates Z: 14 6.008 1.735 0.456 0.404 0.692 0.538 CB 1.054 14 residues pruned to eliminate duplicates Z: 35 24.856 1.935 0.746 0.684 0.912 0.412 CB 1.169 35 residues pruned to eliminate duplicates Z: 12 15.358 1.746 0.504 0.916 1.000 0.818 CB 1.245 12 residues pruned to eliminate duplicates Z: 44 26.449 2.135 0.653 0.420 0.837 0.465 CB 1.483 44 residues pruned to eliminate duplicates Z: 9 17.129 1.799 0.764 0.891 1.000 1.000 CA 1.372 9 residues pruned to eliminate duplicates Z: 9 10.131 1.630 0.775 0.688 0.875 0.500 CB 1.190 8 residues pruned to eliminate duplicates Z: 26 22.463 2.039 0.556 0.554 0.880 0.600 CB 1.527 26 residues pruned to eliminate duplicates 8 1.651 1.349 0.632 0.253 0.857 0.429 CB 0.439 ? Z: 18 17.209 1.732 0.453 0.905 0.882 0.765 CB 1.338 18 residues pruned to eliminate duplicates Z: 15 10.064 1.621 0.451 0.469 0.857 0.571 CB 1.376 15 residues pruned to eliminate duplicates Z: 48 24.636 1.982 0.542 0.485 0.915 0.596 CB 1.304 48 residues pruned to eliminate duplicates Z: 8 8.124 1.763 0.237 0.883 1.000 1.000 CA 1.018 8 residues pruned to eliminate duplicates Z: 14 7.418 1.850 0.237 0.389 0.846 0.462 CB 1.196 14 residues pruned to eliminate duplicates Z: 11 17.515 1.880 0.598 0.903 1.000 0.700 CB 1.314 11 residues pruned to eliminate duplicates Z: 6 4.359 1.476 0.650 0.470 1.000 1.000 CB 0.825 Z: 25 31.618 2.035 0.611 0.888 0.917 0.833 CB 1.547 25 residues pruned to eliminate duplicates Z: 15 30.278 2.022 0.967 0.907 1.000 0.714 CB 1.446 15 residues pruned to eliminate duplicates Z: 29 16.727 1.973 0.444 0.479 0.893 0.679 CB 1.269 29 residues pruned to eliminate duplicates Z: 6 3.614 1.483 0.313 0.654 0.800 0.800 N 0.899 12 residues pruned to eliminate duplicates Z: 51 29.129 2.003 0.612 0.540 0.920 0.600 CB 1.334 51 residues pruned to eliminate duplicates Z: 11 14.870 1.930 0.602 0.864 1.000 0.900 CB 1.115 11 residues pruned to eliminate duplicates Z: 8 15.947 1.950 0.416 0.907 1.000 1.000 CB 1.551 8 residues pruned to eliminate duplicates Z: 41 47.330 2.083 1.046 0.841 0.900 0.500 CB 1.456 41 residues pruned to eliminate duplicates Z: 16 17.146 1.910 0.628 0.601 0.800 0.733 CA 1.616 16 residues pruned to eliminate duplicates Z: 6 3.510 1.656 1.088 0.441 0.600 0.200 CB 0.804 Z: 14 28.683 1.915 0.934 0.922 1.000 0.692 CB 1.510 14 residues pruned to eliminate duplicates Z: 7 4.522 1.735 0.847 0.507 0.667 0.500 CB 0.858 Z: 32 44.298 2.154 0.926 0.935 0.968 0.548 CB 1.381 32 residues pruned to eliminate duplicates Z: 17 19.039 2.032 0.795 0.475 0.938 0.500 CB 1.427 17 residues pruned to eliminate duplicates Z: 22 25.069 1.864 0.652 0.879 0.952 0.667 CA 1.353 22 residues pruned to eliminate duplicates Z: 36 27.986 1.947 0.740 0.699 0.857 0.543 CB 1.359 36 residues pruned to eliminate duplicates Z: 12 14.096 1.931 0.227 0.887 1.000 0.455 CB 1.293 12 residues pruned to eliminate duplicates Z: 8 16.985 1.930 0.604 0.894 1.000 0.714 CB 1.487 8 residues pruned to eliminate duplicates Z: 6 2.854 1.648 -0.121 0.400 1.000 0.600 CB 0.979 Z: 6 2.000 1.385 0.286 0.304 0.600 0.400 CA 1.041 Z: 6 2.616 1.455 0.071 0.355 0.800 0.600 CB 1.097 Z: 14 17.673 1.973 0.563 0.594 1.000 0.692 CB 1.454 14 residues pruned to eliminate duplicates 9 1.801 1.374 0.504 0.276 0.875 0.625 CB 0.454 ? Z: 21 16.514 1.713 0.308 0.940 1.000 1.000 CB 1.145 21 residues pruned to eliminate duplicates Z: 17 16.551 1.735 0.382 0.912 0.938 0.812 CB 1.304 17 residues pruned to eliminate duplicates Z: 15 6.307 1.586 0.138 0.394 0.786 0.643 CA 1.330 15 residues pruned to eliminate duplicates Z: 8 5.305 1.482 0.353 0.456 0.857 0.571 CB 1.221 Z: 12 11.152 1.742 0.396 0.821 0.818 0.545 CB 1.279 12 residues pruned to eliminate duplicates Z: 23 30.197 1.882 0.860 0.911 0.955 0.409 CB 1.365 23 residues pruned to eliminate duplicates Z: 6 2.882 1.776 0.382 0.293 0.800 0.600 CB 0.828 Z: 37 26.747 2.010 0.570 0.589 0.917 0.583 CB 1.415 37 residues pruned to eliminate duplicates Z: 7 7.204 1.788 0.153 0.714 1.000 1.000 CB 1.175 7 residues pruned to eliminate duplicates Z: 28 20.382 2.023 0.470 0.608 0.852 0.519 CB 1.397 23 residues pruned to eliminate duplicates Z: 13 13.793 1.665 0.312 0.849 1.000 0.917 CB 1.351 12 residues pruned to eliminate duplicates Z: 16 9.837 1.607 0.528 0.752 0.867 0.600 CB 0.953 16 residues pruned to eliminate duplicates Z: 6 11.058 1.911 1.040 0.614 1.000 0.600 CB 1.138 6 residues pruned to eliminate duplicates Z: 15 16.503 2.273 0.530 0.405 0.857 0.500 CA 1.636 15 residues pruned to eliminate duplicates Z: 11 3.965 1.747 0.269 0.331 0.700 0.500 CB 0.972 8 1.918 1.558 0.225 0.368 0.571 0.429 CB 0.766 ? Z: 7 5.726 1.515 0.457 0.556 1.000 0.667 CB 1.002 7 residues pruned to eliminate duplicates Z: 8 12.517 1.816 0.518 0.835 1.000 0.714 CB 1.285 8 residues pruned to eliminate duplicates Z: 15 20.510 1.994 0.385 0.897 1.000 0.857 CA 1.421 15 residues pruned to eliminate duplicates Z: 7 2.528 1.352 0.344 0.447 0.667 0.500 CB 0.899 Z: 16 21.915 1.958 0.439 0.852 0.933 0.733 CB 1.591 16 residues pruned to eliminate duplicates Z: 6 4.910 1.592 0.001 0.837 1.000 0.800 CB 1.031 6 residues pruned to eliminate duplicates Z: 9 10.927 1.941 0.283 0.769 1.000 0.750 CB 1.222 9 residues pruned to eliminate duplicates Z: 9 4.825 1.530 0.211 0.406 0.875 0.250 CB 1.160 6 residues pruned to eliminate duplicates Z: 10 12.900 1.689 0.594 0.730 1.000 0.444 CB 1.298 Z: 13 11.970 1.705 0.306 0.883 1.000 0.750 CB 1.122 13 residues pruned to eliminate duplicates Z: 8 9.653 1.659 0.631 0.856 1.000 0.857 CB 0.995 8 residues pruned to eliminate duplicates Z: 11 10.191 1.781 0.254 0.895 0.900 0.800 CB 1.149 11 residues pruned to eliminate duplicates Z: 6 3.861 1.596 0.993 0.371 0.800 0.600 CB 0.779 Z: 8 13.599 1.688 0.659 0.800 1.000 0.857 N 1.411 7 residues pruned to eliminate duplicates Z: 13 16.490 1.614 0.916 0.829 0.917 0.417 CA 1.263 13 residues pruned to eliminate duplicates Z: 9 4.087 1.766 0.138 0.377 1.000 0.250 CB 0.820 Z: 19 21.731 2.151 0.581 0.635 0.833 0.333 CB 1.592 19 residues pruned to eliminate duplicates Z: 28 35.247 2.016 0.841 0.927 0.926 0.778 CB 1.383 28 residues pruned to eliminate duplicates Z: 8 10.714 1.655 0.537 0.772 1.000 0.571 CA 1.251 8 residues pruned to eliminate duplicates Z: 7 4.393 1.097 0.688 0.853 1.000 0.833 N 0.715 Z: 26 24.872 2.205 0.659 0.559 0.920 0.640 CB 1.396 8 residues pruned to eliminate duplicates Z: 7 6.952 1.809 0.470 0.796 0.833 0.500 CB 0.988 7 residues pruned to eliminate duplicates Z: 17 21.457 1.885 0.816 0.842 0.812 0.625 CB 1.438 17 residues pruned to eliminate duplicates Z: 8 6.413 1.619 0.655 0.568 0.857 0.714 CB 0.989 Z: 14 33.936 2.205 0.896 0.929 1.000 0.846 CB 1.575 14 residues pruned to eliminate duplicates Z: 27 22.734 2.002 0.468 0.767 0.846 0.846 CA 1.416 27 residues pruned to eliminate duplicates Z: 9 5.170 1.542 0.110 0.768 1.000 0.750 CA 0.843 9 residues pruned to eliminate duplicates Z: 11 9.610 2.071 0.482 0.548 0.800 0.700 CB 1.182 11 residues pruned to eliminate duplicates Z: 12 15.219 1.979 0.491 0.869 0.909 0.818 CB 1.250 12 residues pruned to eliminate duplicates Z: 13 21.161 1.875 0.663 0.881 1.000 0.417 CA 1.418 13 residues pruned to eliminate duplicates Z: 43 24.372 2.110 0.797 0.325 0.857 0.476 CB 1.403 43 residues pruned to eliminate duplicates Z: 40 31.651 2.194 0.809 0.446 0.923 0.590 CB 1.462 40 residues pruned to eliminate duplicates Z: 23 55.830 2.333 1.141 0.903 1.000 0.500 CB 1.700 23 residues pruned to eliminate duplicates Z: 6 2.741 1.676 0.091 0.299 1.000 0.600 CB 0.838 Z: 7 3.111 1.462 0.875 0.531 0.833 0.333 C 0.539 Z: 7 10.636 2.105 0.364 0.724 0.833 0.833 CB 1.482 7 residues pruned to eliminate duplicates Z: 10 3.954 1.530 -0.023 0.469 0.889 0.556 CB 1.023 10 residues pruned to eliminate duplicates Z: 6 5.736 1.242 0.762 0.811 1.000 1.000 CB 0.895 Z: 29 18.434 1.977 0.841 0.509 0.821 0.536 CB 1.155 29 residues pruned to eliminate duplicates Z: 7 3.637 1.504 0.081 0.529 0.833 0.667 N 1.066 7 residues pruned to eliminate duplicates Z: 9 9.578 1.483 0.404 0.894 1.000 1.000 CB 1.167 Z: 9 4.235 1.548 0.208 0.400 0.750 0.625 CB 1.187 9 residues pruned to eliminate duplicates Z: 12 18.258 1.914 0.679 0.898 1.000 0.727 CB 1.226 12 residues pruned to eliminate duplicates Z: 6 4.052 1.578 0.163 0.499 0.800 0.600 N 1.236 Z: 8 22.336 1.927 0.949 0.899 1.000 1.000 CA 1.606 8 residues pruned to eliminate duplicates Z: 8 3.672 1.573 0.256 0.419 0.714 0.571 O 1.070 Z: 12 4.862 1.731 0.528 0.328 1.000 0.545 CB 0.669 12 residues pruned to eliminate duplicates Z: 8 25.933 2.296 1.006 0.882 1.000 0.571 CB 1.540 12 residues pruned to eliminate duplicates Z: 26 25.269 1.954 0.473 0.665 0.960 0.640 CA 1.571 17 residues pruned to eliminate duplicates Z: 6 4.512 1.528 0.760 0.467 0.800 0.400 N 0.969 6 residues pruned to eliminate duplicates Z: 11 3.659 1.505 0.271 0.473 0.700 0.600 CB 0.888 11 residues pruned to eliminate duplicates Z: 15 31.189 2.121 0.736 0.916 0.929 0.857 CB 1.722 15 residues pruned to eliminate duplicates Z: 7 7.529 1.602 0.557 0.887 0.833 0.667 CB 1.066 7 residues pruned to eliminate duplicates Z: 12 6.930 1.787 0.273 0.298 0.909 0.545 CB 1.266 12 residues pruned to eliminate duplicates Z: 20 15.522 1.984 0.562 0.556 0.789 0.421 CB 1.378 20 residues pruned to eliminate duplicates Z: 50 50.702 2.216 1.145 0.689 0.898 0.469 CB 1.427 50 residues pruned to eliminate duplicates Z: 8 4.694 1.838 0.117 0.610 0.857 0.857 CA 0.909 8 residues pruned to eliminate duplicates Z: 18 13.743 2.141 0.713 0.408 0.824 0.353 CB 1.216 18 residues pruned to eliminate duplicates Z: 15 12.898 1.695 0.578 0.772 0.857 0.500 CB 1.183 15 residues pruned to eliminate duplicates 6 1.859 1.305 0.235 0.284 0.800 0.800 N 0.822 ? Z: 24 26.015 1.830 0.556 0.892 0.957 0.826 CB 1.431 24 residues pruned to eliminate duplicates Z: 10 10.120 2.091 0.419 0.349 0.889 0.444 CB 1.506 10 residues pruned to eliminate duplicates Z: 14 16.493 2.166 1.121 0.557 0.923 0.615 CB 1.020 14 residues pruned to eliminate duplicates Z: 23 26.309 2.073 0.765 0.701 0.909 0.727 CA 1.404 23 residues pruned to eliminate duplicates Z: 18 14.755 1.669 0.236 0.832 0.941 0.941 CB 1.385 18 residues pruned to eliminate duplicates Z: 18 20.564 2.153 0.584 0.389 0.941 0.529 CB 1.749 18 residues pruned to eliminate duplicates Z: 6 3.123 1.504 0.520 0.360 0.800 0.600 C 0.887 Z: 11 24.613 2.185 0.527 0.846 1.000 0.700 CB 1.733 11 residues pruned to eliminate duplicates Z: 12 11.250 1.908 0.666 0.518 0.818 0.636 CB 1.281 12 residues pruned to eliminate duplicates Z: 10 11.684 1.615 0.493 0.870 1.000 0.778 CB 1.179 10 residues pruned to eliminate duplicates Z: 25 28.504 1.967 0.781 0.863 0.958 0.708 CB 1.271 25 residues pruned to eliminate duplicates Z: 10 2.044 1.552 0.058 0.223 0.556 0.222 CB 1.033 10 residues pruned to eliminate duplicates Z: 49 29.285 2.005 0.674 0.541 0.917 0.521 CB 1.320 49 residues pruned to eliminate duplicates Z: 47 43.808 2.180 0.506 0.811 0.935 0.761 CA 1.605 48 residues pruned to eliminate duplicates Z: 6 3.914 1.816 0.823 0.291 0.600 0.400 CB 1.113 4 residues pruned to eliminate duplicates Z: 7 3.988 1.527 0.307 0.292 1.000 0.667 CB 1.031 6 residues pruned to eliminate duplicates Z: 19 15.340 1.537 0.760 0.864 0.944 0.722 CB 1.038 19 residues pruned to eliminate duplicates Z: 10 20.921 2.094 0.581 0.916 1.000 0.889 CB 1.488 10 residues pruned to eliminate duplicates Z: 31 24.140 2.146 0.806 0.514 0.867 0.433 CB 1.294 31 residues pruned to eliminate duplicates Z: 13 13.007 1.827 0.667 0.845 0.750 0.333 CB 1.223 13 residues pruned to eliminate duplicates Z: 15 20.909 2.067 0.666 0.715 0.857 0.357 CB 1.557 15 residues pruned to eliminate duplicates Z: 32 20.561 2.089 0.761 0.369 0.903 0.516 CB 1.279 32 residues pruned to eliminate duplicates Z: 11 5.387 1.810 0.564 0.304 0.700 0.600 CB 1.069 Z: 6 2.423 1.491 -0.184 0.464 0.800 0.400 CB 1.155 Z: 9 14.994 2.241 0.741 0.488 0.875 0.750 CB 1.571 9 residues pruned to eliminate duplicates Z: 20 17.352 1.662 0.603 0.913 0.947 0.737 CB 1.116 20 residues pruned to eliminate duplicates Z: 10 11.952 1.691 0.340 0.887 1.000 0.889 CB 1.268 10 residues pruned to eliminate duplicates Z: 18 12.575 1.831 0.764 0.516 0.706 0.176 CB 1.316 18 residues pruned to eliminate duplicates Z: 7 2.963 1.358 0.200 0.385 0.833 0.333 CB 1.006 Z: 12 17.375 1.907 0.678 0.922 0.909 0.364 CB 1.266 12 residues pruned to eliminate duplicates Z: 6 2.683 1.605 0.464 0.297 0.600 0.400 CB 1.068 9 residues pruned to eliminate duplicates Z: 8 2.484 1.213 0.429 0.280 1.000 0.714 N 0.694 Z: 9 3.766 1.719 0.172 0.408 0.750 0.375 CB 0.970 Z: 11 14.668 1.759 0.428 0.819 1.000 0.900 CA 1.399 11 residues pruned to eliminate duplicates Z: 28 32.541 1.978 0.940 0.913 1.000 0.481 CB 1.156 28 residues pruned to eliminate duplicates Z: 14 18.352 1.935 0.634 0.931 0.923 0.462 CB 1.218 14 residues pruned to eliminate duplicates Z: 45 25.208 1.973 0.588 0.477 0.864 0.523 CB 1.437 45 residues pruned to eliminate duplicates Z: 26 22.126 2.081 0.236 0.709 0.960 0.920 CB 1.483 26 residues pruned to eliminate duplicates Z: 13 14.506 2.022 0.778 0.395 0.917 0.833 CB 1.420 13 residues pruned to eliminate duplicates Z: 16 17.612 1.975 0.223 0.929 0.933 0.800 CB 1.411 16 residues pruned to eliminate duplicates Z: 6 7.166 1.544 0.643 0.843 1.000 0.800 CB 0.941 6 residues pruned to eliminate duplicates Z: 30 50.322 2.139 1.128 0.916 1.000 0.414 CB 1.449 30 residues pruned to eliminate duplicates Z: 40 21.981 2.075 0.652 0.380 0.872 0.487 CB 1.339 40 residues pruned to eliminate duplicates Z: 23 18.062 1.684 0.495 0.893 0.955 0.818 CB 1.151 23 residues pruned to eliminate duplicates Z: 10 7.875 1.424 0.360 0.800 1.000 1.000 CB 1.042 10 residues pruned to eliminate duplicates Z: 12 7.969 1.891 0.422 0.822 0.727 0.364 CB 0.929 12 residues pruned to eliminate duplicates Z: 33 29.192 1.964 0.745 0.714 0.875 0.500 CB 1.417 33 residues pruned to eliminate duplicates Z: 13 22.292 2.076 0.979 0.841 0.833 0.750 CB 1.401 13 residues pruned to eliminate duplicates Z: 8 5.352 1.603 0.363 0.421 0.857 0.714 N 1.173 Z: 11 10.981 1.785 0.719 0.855 0.800 0.300 CB 1.044 11 residues pruned to eliminate duplicates Z: 28 24.240 1.872 0.529 0.700 0.889 0.704 CB 1.527 26 residues pruned to eliminate duplicates Z: 32 28.622 2.082 0.597 0.708 0.871 0.806 CA 1.469 32 residues pruned to eliminate duplicates Z: 73 48.679 2.226 0.699 0.572 0.889 0.653 CB 1.592 73 residues pruned to eliminate duplicates Z: 7 2.732 1.360 0.005 0.372 0.833 0.667 CB 1.123 Z: 7 4.160 1.357 0.267 0.466 1.000 0.500 CB 1.022 7 residues pruned to eliminate duplicates Z: 8 2.562 1.128 0.206 0.438 1.000 0.429 N 0.759 Z: 12 16.792 1.914 1.008 0.373 1.000 0.364 CB 1.508 12 residues pruned to eliminate duplicates Z: 31 21.561 1.891 0.642 0.556 0.900 0.567 CB 1.334 31 residues pruned to eliminate duplicates Z: 6 7.074 1.653 0.381 0.665 1.000 1.000 O 1.190 6 residues pruned to eliminate duplicates Z: 28 23.336 1.894 0.372 0.674 0.963 0.778 CB 1.530 28 residues pruned to eliminate duplicates Z: 11 7.104 1.698 0.104 0.575 0.800 0.600 CB 1.393 11 residues pruned to eliminate duplicates Z: 10 11.833 1.659 0.237 0.894 1.000 0.889 N 1.379 10 residues pruned to eliminate duplicates Z: 12 18.007 1.885 1.125 0.898 1.000 0.636 CB 0.970 12 residues pruned to eliminate duplicates Z: 7 3.735 1.718 -0.112 0.533 1.000 0.833 CB 0.967 6 residues pruned to eliminate duplicates Z: 28 18.572 2.007 0.462 0.560 0.889 0.704 CB 1.293 28 residues pruned to eliminate duplicates Z: 6 2.307 1.652 0.267 0.185 0.800 0.400 CB 0.900 6 1.479 1.691 0.400 0.562 0.600 0.400 CB 0.438 ? Z: 8 7.502 1.672 0.253 0.728 1.000 1.000 CB 1.102 8 residues pruned to eliminate duplicates Z: 6 4.044 1.541 -0.044 0.592 1.000 0.600 CA 1.124 Z: 6 2.831 1.243 0.478 0.402 0.800 0.600 O 0.955 Z: 7 3.315 1.476 0.568 0.246 1.000 0.500 CB 0.784 Z: 6 3.205 1.418 0.750 0.295 0.600 0.400 N 1.211 Z: 30 27.491 1.993 0.547 0.699 0.966 0.586 CB 1.430 29 residues pruned to eliminate duplicates Z: 22 18.874 2.066 0.664 0.438 0.905 0.476 CA 1.412 22 residues pruned to eliminate duplicates Z: 46 31.014 2.183 0.710 0.475 0.822 0.533 CB 1.544 46 residues pruned to eliminate duplicates Z: 6 8.638 1.693 0.833 0.668 1.000 0.800 CB 1.066 Z: 21 25.390 1.866 0.963 0.840 0.950 0.650 CB 1.217 21 residues pruned to eliminate duplicates Z: 7 5.958 1.636 0.410 0.528 0.833 0.667 CB 1.230 7 residues pruned to eliminate duplicates Z: 16 27.929 1.914 0.713 0.891 1.000 0.733 CB 1.582 18 residues pruned to eliminate duplicates 6 1.771 1.379 0.090 0.548 0.800 0.600 CB 0.629 ? Z: 12 4.072 1.447 0.031 0.366 0.909 0.455 N 1.046 12 residues pruned to eliminate duplicates 7 1.548 1.231 0.619 0.340 0.667 0.333 CB 0.566 ? Z: 20 26.414 2.016 0.626 0.818 0.947 0.684 CB 1.481 20 residues pruned to eliminate duplicates Z: 81 37.391 2.009 0.517 0.602 0.938 0.488 CB 1.328 81 residues pruned to eliminate duplicates Z: 7 3.156 1.715 0.461 0.792 1.000 0.500 CB 0.398 Z: 9 3.757 1.427 0.347 0.450 0.750 0.250 N 0.970 Z: 30 26.371 2.038 0.528 0.666 0.931 0.793 CB 1.449 30 residues pruned to eliminate duplicates Z: 13 8.944 1.805 0.505 0.357 1.000 0.583 CB 1.110 13 residues pruned to eliminate duplicates Z: 9 6.855 1.763 0.764 0.415 0.625 0.625 N 1.362 9 residues pruned to eliminate duplicates Z: 17 24.894 2.034 0.509 0.834 0.938 0.750 CA 1.621 17 residues pruned to eliminate duplicates Z: 9 15.411 1.913 0.625 0.834 0.875 0.500 CB 1.501 9 residues pruned to eliminate duplicates Z: 19 17.404 1.733 0.572 0.672 0.889 0.500 CB 1.444 19 residues pruned to eliminate duplicates Z: 16 18.955 1.942 0.937 0.593 0.800 0.600 CB 1.487 16 residues pruned to eliminate duplicates Z: 13 10.676 1.794 0.692 0.544 0.833 0.500 CB 1.167 13 residues pruned to eliminate duplicates Z: 12 4.239 1.477 0.267 0.417 0.818 0.364 CB 0.910 6 residues pruned to eliminate duplicates Z: 6 3.234 1.392 0.729 0.520 0.800 0.400 N 0.737 Z: 13 13.433 1.843 0.250 0.862 1.000 0.750 CB 1.236 13 residues pruned to eliminate duplicates Z: 17 22.705 1.935 0.552 0.852 0.938 0.875 CA 1.491 17 residues pruned to eliminate duplicates Z: 19 18.237 1.824 0.680 0.779 0.889 0.722 CB 1.234 19 residues pruned to eliminate duplicates Z: 11 8.455 1.647 0.514 0.596 0.800 0.400 CB 1.223 11 residues pruned to eliminate duplicates Z: 17 11.600 1.522 0.421 0.632 1.000 0.688 CB 1.185 17 residues pruned to eliminate duplicates Z: 9 3.685 1.350 0.920 0.307 0.625 0.250 N 0.997 Z: 44 56.012 2.260 1.218 0.756 0.884 0.419 CB 1.536 44 residues pruned to eliminate duplicates Z: 18 25.093 1.931 0.751 0.829 0.882 0.647 CB 1.534 18 residues pruned to eliminate duplicates Z: 9 3.504 1.664 0.806 0.187 0.750 0.625 CB 0.800 6 residues pruned to eliminate duplicates Z: 16 10.146 1.762 0.403 0.431 0.800 0.667 CB 1.422 17 residues pruned to eliminate duplicates Z: 6 4.101 1.396 0.168 0.486 1.000 0.600 O 1.141 6 residues pruned to eliminate duplicates Z: 50 43.993 2.301 0.635 0.622 0.939 0.653 CB 1.586 50 residues pruned to eliminate duplicates Z: 18 11.649 1.804 0.349 0.537 0.941 0.647 CB 1.190 18 residues pruned to eliminate duplicates Z: 28 18.929 1.835 0.672 0.595 0.926 0.630 CB 1.171 28 residues pruned to eliminate duplicates Z: 15 23.777 1.880 0.781 0.855 0.929 0.643 CB 1.509 15 residues pruned to eliminate duplicates Z: 8 8.233 1.771 0.307 0.739 1.000 1.000 CB 1.086 Z: 7 3.672 1.362 0.178 0.466 1.000 0.500 CB 0.968 Z: 20 17.162 1.893 0.733 0.486 0.895 0.579 CB 1.361 20 residues pruned to eliminate duplicates Z: 24 19.634 1.933 0.361 0.812 0.870 0.739 CB 1.363 24 residues pruned to eliminate duplicates Z: 9 9.357 1.875 0.214 0.674 1.000 0.875 CB 1.238 9 residues pruned to eliminate duplicates Z: 14 4.744 1.536 0.444 0.349 1.000 0.462 CB 0.698 6 residues pruned to eliminate duplicates Z: 17 15.340 1.863 0.787 0.550 0.875 0.375 CB 1.254 17 residues pruned to eliminate duplicates Z: 29 31.645 1.935 0.631 0.904 1.000 0.464 CB 1.350 30 residues pruned to eliminate duplicates Z: 9 4.502 1.369 0.934 0.300 0.750 0.625 CB 1.002 Z: 8 13.979 1.791 0.736 0.869 0.857 0.857 N 1.448 8 residues pruned to eliminate duplicates Z: 7 3.387 1.486 0.435 0.258 0.833 0.333 N 1.027 Z: 7 3.560 1.369 0.174 0.411 1.000 0.333 O 0.992 Z: 9 8.860 1.853 0.486 0.494 1.000 0.500 CB 1.144 Using tripeptides from previous cycle as seeds Z: 9 11.481 2.129 0.412 0.448 1.000 0.625 CB 1.424 8 residues pruned to eliminate duplicates Z: 6 12.948 2.053 0.682 0.806 1.000 0.800 CB 1.284 6 residues pruned to eliminate duplicates Z: 50 46.930 2.226 0.699 0.727 0.878 0.837 CB 1.646 50 residues pruned to eliminate duplicates Z: 12 11.618 1.950 0.592 0.416 1.000 0.455 CB 1.231 12 residues pruned to eliminate duplicates Z: 6 12.257 2.175 0.218 0.840 1.000 0.800 CA 1.544 6 residues pruned to eliminate duplicates Z: 18 5.988 1.560 0.029 0.412 0.824 0.529 CB 1.205 18 residues pruned to eliminate duplicates Z: 6 5.808 1.755 -0.058 0.793 1.000 1.000 CB 1.215 6 residues pruned to eliminate duplicates Z: 17 6.910 1.607 0.045 0.546 0.875 0.750 CB 1.125 17 residues pruned to eliminate duplicates Z: 12 5.702 1.622 0.266 0.393 0.727 0.545 CB 1.290 12 residues pruned to eliminate duplicates Z: 17 7.227 1.643 0.311 0.468 0.812 0.562 CB 1.066 17 residues pruned to eliminate duplicates Z: 18 7.524 1.580 0.305 0.475 0.882 0.647 CB 1.029 23 residues pruned to eliminate duplicates Z: 6 2.186 1.309 0.529 0.398 0.800 0.600 N 0.680 Z: 6 4.223 1.414 1.108 0.299 0.800 0.400 N 0.991 4 residues pruned to eliminate duplicates Z: 6 6.873 1.723 0.567 0.747 0.800 0.400 CB 1.141 6 residues pruned to eliminate duplicates Z: 18 6.382 1.561 0.365 0.393 0.765 0.412 CB 1.064 18 residues pruned to eliminate duplicates Z: 8 8.116 1.642 0.417 0.659 1.000 0.429 CA 1.138 7 residues pruned to eliminate duplicates Z: 7 6.896 1.685 0.316 0.705 1.000 0.333 CB 1.053 7 residues pruned to eliminate duplicates Z: 21 7.289 1.724 0.246 0.356 0.800 0.400 CB 1.108 19 residues pruned to eliminate duplicates Z: 6 7.418 1.845 0.499 0.296 1.000 0.400 N 1.506 6 residues pruned to eliminate duplicates Z: 13 10.263 1.889 0.354 0.468 0.917 0.667 CB 1.306 12 residues pruned to eliminate duplicates Z: 6 4.205 1.766 0.137 0.403 1.000 0.400 CB 1.037 6 residues pruned to eliminate duplicates Z: 19 9.448 1.746 0.204 0.430 0.889 0.556 CB 1.282 19 residues pruned to eliminate duplicates Z: 18 9.985 1.839 0.309 0.440 0.824 0.471 CB 1.300 18 residues pruned to eliminate duplicates Z: 16 19.582 1.846 0.563 0.824 0.933 0.733 CA 1.418 16 residues pruned to eliminate duplicates Z: 15 23.093 1.967 0.525 0.922 1.000 0.929 CB 1.447 15 residues pruned to eliminate duplicates Z: 13 28.398 1.971 0.832 0.928 1.000 0.917 CA 1.590 13 residues pruned to eliminate duplicates Z: 14 28.229 1.902 0.918 0.884 1.000 0.769 CB 1.551 14 residues pruned to eliminate duplicates Z: 12 27.279 1.976 0.835 0.917 1.000 0.818 CB 1.600 13 residues pruned to eliminate duplicates Z: 13 28.753 1.952 0.915 0.924 1.000 0.917 CB 1.559 13 residues pruned to eliminate duplicates Z: 14 23.394 1.940 0.742 0.886 0.923 0.923 CB 1.501 14 residues pruned to eliminate duplicates Z: 13 28.325 1.985 0.863 0.933 1.000 0.917 CA 1.543 13 residues pruned to eliminate duplicates Z: 15 20.015 1.882 0.684 0.771 0.929 0.714 CB 1.430 15 residues pruned to eliminate duplicates Z: 17 21.695 1.854 0.769 0.779 0.938 0.688 CB 1.380 17 residues pruned to eliminate duplicates Z: 12 26.298 1.953 0.839 0.914 1.000 0.545 CA 1.561 12 residues pruned to eliminate duplicates Z: 15 20.276 1.890 0.759 0.780 0.929 0.571 CB 1.372 15 residues pruned to eliminate duplicates Z: 17 23.098 1.863 0.697 0.772 0.938 0.750 CA 1.532 16 residues pruned to eliminate duplicates Z: 8 5.171 1.410 0.316 0.719 1.000 0.571 CB 0.864 8 residues pruned to eliminate duplicates Z: 19 6.271 1.477 0.490 0.402 0.722 0.389 CB 1.031 21 residues pruned to eliminate duplicates Z: 11 6.890 1.469 0.528 0.706 0.700 0.500 CB 1.149 11 residues pruned to eliminate duplicates Z: 12 5.699 1.509 0.171 0.621 0.909 0.818 CB 0.954 12 residues pruned to eliminate duplicates Z: 7 7.030 1.444 0.360 0.774 1.000 0.667 CA 1.147 7 residues pruned to eliminate duplicates Z: 17 8.325 1.477 0.251 0.583 1.000 0.688 CB 1.039 17 residues pruned to eliminate duplicates Z: 27 9.022 1.497 0.339 0.560 0.885 0.615 CB 0.941 27 residues pruned to eliminate duplicates Z: 16 10.707 1.534 0.283 0.793 1.000 0.800 CB 1.086 17 residues pruned to eliminate duplicates Z: 12 9.291 1.351 0.444 0.853 1.000 0.636 O 1.061 10 residues pruned to eliminate duplicates Z: 10 10.710 1.522 0.417 0.829 1.000 0.556 CB 1.245 10 residues pruned to eliminate duplicates Z: 6 4.751 1.646 0.287 0.566 0.800 0.400 CB 1.176 6 residues pruned to eliminate duplicates Z: 10 5.856 1.554 0.590 0.691 0.778 0.444 CB 0.853 10 residues pruned to eliminate duplicates Z: 30 27.165 2.161 0.629 0.501 0.931 0.448 CB 1.539 30 residues pruned to eliminate duplicates Z: 13 18.280 2.122 0.551 0.582 0.917 0.667 CA 1.617 13 residues pruned to eliminate duplicates Z: 51 35.834 2.210 0.727 0.519 0.920 0.680 CB 1.417 51 residues pruned to eliminate duplicates Z: 9 18.706 2.260 0.767 0.769 0.750 0.750 CA 1.739 9 residues pruned to eliminate duplicates Z: 29 28.032 2.131 0.697 0.488 0.964 0.536 CB 1.538 29 residues pruned to eliminate duplicates Z: 30 27.403 2.191 0.791 0.539 0.897 0.621 CB 1.392 30 residues pruned to eliminate duplicates Z: 28 34.645 2.248 0.869 0.543 0.963 0.556 CB 1.580 28 residues pruned to eliminate duplicates Z: 30 28.877 2.223 0.693 0.489 0.931 0.552 CB 1.548 30 residues pruned to eliminate duplicates Z: 30 29.983 2.166 0.758 0.518 0.931 0.655 CB 1.543 30 residues pruned to eliminate duplicates Z: 30 28.019 2.170 0.660 0.513 0.931 0.655 CB 1.532 30 residues pruned to eliminate duplicates Z: 37 26.047 2.058 0.686 0.488 0.917 0.528 CB 1.382 37 residues pruned to eliminate duplicates Z: 29 31.977 2.211 0.796 0.550 0.964 0.607 CB 1.504 29 residues pruned to eliminate duplicates Z: 17 12.200 2.039 0.458 0.440 0.812 0.562 CB 1.343 17 residues pruned to eliminate duplicates Z: 21 12.453 1.957 0.650 0.336 0.850 0.450 CB 1.213 21 residues pruned to eliminate duplicates Z: 27 29.146 2.266 0.643 0.503 0.962 0.577 CB 1.592 27 residues pruned to eliminate duplicates Z: 20 17.698 2.082 0.505 0.488 0.895 0.579 CB 1.467 20 residues pruned to eliminate duplicates Z: 61 42.576 2.179 0.651 0.612 0.900 0.683 CB 1.526 61 residues pruned to eliminate duplicates Z: 28 30.686 2.232 0.697 0.545 0.963 0.815 CB 1.550 28 residues pruned to eliminate duplicates Z: 28 30.379 2.238 0.786 0.494 0.963 0.444 CB 1.528 28 residues pruned to eliminate duplicates Z: 30 21.832 2.101 0.587 0.454 0.862 0.448 CB 1.478 30 residues pruned to eliminate duplicates Z: 24 16.854 2.133 0.449 0.421 0.957 0.435 CB 1.290 24 residues pruned to eliminate duplicates Z: 37 29.507 2.124 0.744 0.543 0.861 0.611 CB 1.478 37 residues pruned to eliminate duplicates Z: 50 26.950 2.069 0.781 0.465 0.816 0.490 CB 1.326 50 residues pruned to eliminate duplicates Z: 30 20.572 2.036 0.592 0.549 0.897 0.655 CB 1.253 30 residues pruned to eliminate duplicates Z: 26 22.440 2.133 0.691 0.562 0.880 0.600 CB 1.332 26 residues pruned to eliminate duplicates Z: 27 17.924 2.076 0.640 0.492 0.808 0.538 CB 1.289 27 residues pruned to eliminate duplicates Z: 34 26.516 2.078 0.617 0.495 0.909 0.576 CB 1.518 34 residues pruned to eliminate duplicates Z: 26 23.410 2.135 0.705 0.531 0.920 0.680 CB 1.356 26 residues pruned to eliminate duplicates Z: 28 19.302 2.048 0.628 0.496 0.815 0.556 CB 1.373 28 residues pruned to eliminate duplicates Z: 28 20.756 2.044 0.752 0.494 0.852 0.593 CB 1.317 28 residues pruned to eliminate duplicates Z: 48 29.856 2.142 0.782 0.444 0.915 0.468 CB 1.321 48 residues pruned to eliminate duplicates Z: 26 21.398 2.163 0.742 0.530 0.800 0.640 CB 1.379 26 residues pruned to eliminate duplicates Z: 38 26.304 2.109 0.755 0.472 0.865 0.595 CB 1.390 38 residues pruned to eliminate duplicates Z: 25 24.974 2.163 0.823 0.569 0.875 0.667 CB 1.382 25 residues pruned to eliminate duplicates Z: 21 33.551 1.988 0.865 0.805 1.000 0.700 CA 1.550 21 residues pruned to eliminate duplicates Z: 17 15.103 2.091 0.827 0.483 0.812 0.750 CB 1.238 17 residues pruned to eliminate duplicates Z: 51 33.527 2.193 0.848 0.485 0.840 0.500 CB 1.414 52 residues pruned to eliminate duplicates Z: 8 16.153 1.766 1.266 0.790 1.000 0.857 CB 1.182 8 residues pruned to eliminate duplicates Z: 26 23.122 2.148 0.833 0.526 0.840 0.560 CB 1.364 26 residues pruned to eliminate duplicates Z: 12 13.074 1.920 0.777 0.497 0.909 0.636 CB 1.275 12 residues pruned to eliminate duplicates Z: 52 27.110 2.145 0.656 0.473 0.824 0.490 CB 1.334 52 residues pruned to eliminate duplicates Z: 8 7.087 1.970 0.356 0.600 0.857 0.571 CB 1.063 8 residues pruned to eliminate duplicates Z: 27 20.482 2.045 0.769 0.501 0.885 0.615 CB 1.254 27 residues pruned to eliminate duplicates Z: 11 11.105 2.002 0.635 0.458 0.900 0.700 CB 1.245 9 residues pruned to eliminate duplicates Z: 6 4.538 1.781 0.949 0.269 0.800 0.800 CB 0.951 6 residues pruned to eliminate duplicates Z: 16 13.969 2.094 0.550 0.486 0.933 0.667 CB 1.208 16 residues pruned to eliminate duplicates Z: 48 23.364 2.085 0.558 0.440 0.851 0.596 CB 1.311 48 residues pruned to eliminate duplicates Z: 13 15.633 2.209 0.580 0.576 0.833 0.500 CA 1.442 13 residues pruned to eliminate duplicates Z: 15 15.926 2.069 0.765 0.502 0.857 0.571 CA 1.357 15 residues pruned to eliminate duplicates Z: 16 11.989 1.985 0.796 0.496 0.667 0.267 CA 1.307 16 residues pruned to eliminate duplicates Z: 16 10.822 1.895 0.385 0.585 0.733 0.533 CA 1.338 16 residues pruned to eliminate duplicates Z: 15 13.497 2.021 0.653 0.594 0.786 0.500 CA 1.256 15 residues pruned to eliminate duplicates Z: 15 15.524 1.967 0.697 0.506 0.857 0.429 CB 1.441 15 residues pruned to eliminate duplicates Z: 27 19.494 1.982 0.721 0.548 0.846 0.462 CB 1.264 35 residues pruned to eliminate duplicates Z: 9 22.627 2.041 0.787 0.873 1.000 0.625 CB 1.598 9 residues pruned to eliminate duplicates Z: 13 16.962 1.948 0.806 0.605 0.833 0.333 CB 1.511 13 residues pruned to eliminate duplicates Z: 15 12.407 2.044 0.784 0.549 0.714 0.429 CB 1.213 15 residues pruned to eliminate duplicates Z: 14 17.926 2.074 0.680 0.614 0.846 0.308 CA 1.513 14 residues pruned to eliminate duplicates Z: 11 22.818 2.236 0.733 0.716 0.900 0.400 CA 1.701 11 residues pruned to eliminate duplicates Z: 8 10.899 2.083 0.281 0.624 1.000 0.857 CB 1.374 8 residues pruned to eliminate duplicates Z: 8 9.017 2.014 0.402 0.631 1.000 0.857 CB 1.067 8 residues pruned to eliminate duplicates Z: 9 9.598 1.938 0.417 0.540 1.000 0.875 CB 1.189 9 residues pruned to eliminate duplicates Z: 10 10.226 1.925 0.390 0.505 1.000 0.667 CB 1.268 10 residues pruned to eliminate duplicates Z: 9 10.854 1.959 0.485 0.602 1.000 0.875 CB 1.197 9 residues pruned to eliminate duplicates Z: 11 10.594 1.906 0.357 0.475 1.000 0.800 N 1.329 11 residues pruned to eliminate duplicates Z: 8 14.785 2.110 0.437 0.693 1.000 0.714 CB 1.545 10 residues pruned to eliminate duplicates Z: 13 12.581 1.786 0.256 0.895 1.000 0.750 CB 1.161 13 residues pruned to eliminate duplicates Z: 7 5.251 1.809 0.304 0.586 0.667 0.500 CB 1.256 7 residues pruned to eliminate duplicates Z: 11 8.094 1.810 0.266 0.631 0.900 0.800 CB 1.097 11 residues pruned to eliminate duplicates Z: 17 13.114 1.704 0.571 0.737 0.875 0.688 CB 1.132 13 residues pruned to eliminate duplicates Z: 12 14.606 1.813 0.408 0.924 1.000 0.818 CB 1.211 12 residues pruned to eliminate duplicates Z: 12 13.897 1.816 0.307 0.897 1.000 0.818 CB 1.264 13 residues pruned to eliminate duplicates Z: 13 13.293 1.760 0.415 0.872 0.917 0.750 CB 1.224 16 residues pruned to eliminate duplicates Z: 12 15.475 1.786 0.431 0.913 1.000 0.727 CB 1.292 12 residues pruned to eliminate duplicates Z: 15 15.606 1.716 0.644 0.801 1.000 0.500 CB 1.137 14 residues pruned to eliminate duplicates Z: 14 15.666 1.581 0.700 0.856 0.923 0.615 CB 1.291 14 residues pruned to eliminate duplicates Z: 17 14.118 1.667 0.559 0.741 0.938 0.562 CB 1.168 14 residues pruned to eliminate duplicates Z: 17 11.612 1.611 0.691 0.781 0.938 0.250 CB 0.887 17 residues pruned to eliminate duplicates Z: 15 14.098 1.724 0.686 0.831 1.000 0.500 CB 0.974 15 residues pruned to eliminate duplicates Z: 23 11.673 1.868 0.403 0.414 0.818 0.591 CB 1.270 22 residues pruned to eliminate duplicates Z: 12 16.108 1.776 0.788 0.699 1.000 0.818 CB 1.276 12 residues pruned to eliminate duplicates Z: 27 17.760 1.912 0.592 0.476 0.885 0.500 CB 1.325 29 residues pruned to eliminate duplicates Z: 7 14.333 1.896 0.722 0.834 1.000 0.500 CB 1.344 7 residues pruned to eliminate duplicates Z: 17 13.588 1.942 0.493 0.489 0.938 0.562 CB 1.264 17 residues pruned to eliminate duplicates Z: 23 15.510 1.928 0.619 0.440 0.864 0.545 CB 1.306 23 residues pruned to eliminate duplicates Z: 12 13.329 1.950 0.598 0.495 0.818 0.364 CB 1.584 12 residues pruned to eliminate duplicates Z: 10 4.292 1.496 0.857 0.568 0.889 0.556 N 0.542 10 residues pruned to eliminate duplicates Z: 15 12.137 1.801 0.481 0.523 0.857 0.643 CB 1.387 15 residues pruned to eliminate duplicates Z: 18 9.711 1.736 0.547 0.452 0.882 0.647 CB 1.043 18 residues pruned to eliminate duplicates Z: 23 9.607 1.654 0.351 0.446 0.864 0.545 CB 1.122 17 residues pruned to eliminate duplicates Z: 11 7.537 1.588 0.409 0.555 1.000 0.500 CB 1.009 11 residues pruned to eliminate duplicates Z: 26 16.362 1.887 0.485 0.473 0.920 0.400 CB 1.306 26 residues pruned to eliminate duplicates Z: 19 11.040 1.682 0.558 0.431 0.944 0.667 CB 1.129 26 residues pruned to eliminate duplicates Z: 7 7.453 1.735 0.511 0.740 1.000 0.500 CB 0.936 7 residues pruned to eliminate duplicates Z: 17 10.611 1.749 0.481 0.382 0.875 0.438 CB 1.327 17 residues pruned to eliminate duplicates Z: 19 11.682 1.694 0.582 0.399 0.944 0.556 CB 1.210 16 residues pruned to eliminate duplicates Z: 7 11.029 1.784 0.536 0.796 1.000 1.000 CB 1.267 10 residues pruned to eliminate duplicates Z: 6 10.016 1.717 0.695 0.767 1.000 0.600 CB 1.215 6 residues pruned to eliminate duplicates Z: 11 7.423 1.524 0.390 0.616 1.000 0.500 CA 0.992 9 residues pruned to eliminate duplicates Z: 8 14.186 1.745 1.167 0.807 0.857 0.714 CB 1.266 8 residues pruned to eliminate duplicates Z: 37 30.585 1.975 0.383 0.786 0.944 0.750 CB 1.536 45 residues pruned to eliminate duplicates Z: 9 17.311 1.633 1.091 0.883 1.000 0.875 N 1.297 9 residues pruned to eliminate duplicates Z: 38 23.667 1.875 0.454 0.661 0.865 0.595 CB 1.422 38 residues pruned to eliminate duplicates Z: 37 36.940 1.998 0.571 0.826 0.972 0.833 CB 1.521 37 residues pruned to eliminate duplicates Z: 29 33.986 2.017 0.657 0.774 1.000 0.643 CB 1.510 29 residues pruned to eliminate duplicates Z: 38 32.087 1.965 0.432 0.772 0.946 0.622 CB 1.558 38 residues pruned to eliminate duplicates Z: 32 37.239 2.035 0.681 0.776 0.968 0.613 CB 1.583 32 residues pruned to eliminate duplicates Z: 35 31.501 1.934 0.752 0.675 0.882 0.588 CB 1.538 35 residues pruned to eliminate duplicates Z: 36 37.837 1.991 0.642 0.798 0.943 0.743 CB 1.598 36 residues pruned to eliminate duplicates Z: 31 34.835 2.039 0.656 0.772 0.967 0.733 CB 1.532 31 residues pruned to eliminate duplicates Z: 38 36.685 1.962 0.679 0.784 0.946 0.649 CB 1.508 38 residues pruned to eliminate duplicates Z: 29 34.107 2.049 0.609 0.846 0.929 0.679 CB 1.565 29 residues pruned to eliminate duplicates Z: 30 34.771 2.070 0.721 0.799 0.931 0.724 CB 1.498 30 residues pruned to eliminate duplicates Z: 31 34.347 1.967 0.847 0.712 1.000 0.633 CB 1.424 31 residues pruned to eliminate duplicates Z: 30 35.930 2.054 0.719 0.767 0.966 0.724 CB 1.544 30 residues pruned to eliminate duplicates Z: 33 32.705 1.977 0.733 0.719 0.938 0.562 CB 1.476 33 residues pruned to eliminate duplicates Z: 31 34.825 2.039 0.644 0.800 0.967 0.700 CB 1.510 31 residues pruned to eliminate duplicates Z: 34 39.898 2.019 0.814 0.810 0.970 0.515 CB 1.492 34 residues pruned to eliminate duplicates Z: 37 33.596 1.954 0.671 0.770 0.944 0.611 CB 1.430 37 residues pruned to eliminate duplicates Z: 31 35.760 2.015 0.824 0.756 0.967 0.567 CB 1.463 31 residues pruned to eliminate duplicates Z: 32 36.823 2.017 0.832 0.781 1.000 0.806 CB 1.397 32 residues pruned to eliminate duplicates Z: 33 35.817 1.993 0.822 0.739 0.969 0.531 CB 1.453 33 residues pruned to eliminate duplicates Z: 33 31.446 1.953 0.779 0.778 0.875 0.438 CB 1.431 33 residues pruned to eliminate duplicates Z: 28 38.638 2.008 0.837 0.885 0.963 0.481 CB 1.512 28 residues pruned to eliminate duplicates Z: 36 44.594 2.025 0.956 0.831 0.971 0.657 CB 1.472 37 residues pruned to eliminate duplicates Z: 29 40.089 1.949 0.855 0.928 1.000 0.500 CB 1.468 29 residues pruned to eliminate duplicates Z: 36 38.012 1.999 0.745 0.823 0.971 0.543 CB 1.434 36 residues pruned to eliminate duplicates Z: 35 39.633 2.000 0.901 0.804 0.912 0.500 CB 1.503 35 residues pruned to eliminate duplicates Z: 38 37.595 1.916 0.919 0.781 0.919 0.378 CB 1.428 38 residues pruned to eliminate duplicates Z: 39 38.473 1.916 0.860 0.814 0.974 0.447 CB 1.369 39 residues pruned to eliminate duplicates Z: 37 43.124 1.986 0.985 0.825 0.972 0.583 CB 1.416 37 residues pruned to eliminate duplicates Z: 37 39.437 1.938 0.906 0.787 0.944 0.500 CB 1.464 37 residues pruned to eliminate duplicates Z: 38 41.230 1.972 0.793 0.826 0.973 0.676 CB 1.485 38 residues pruned to eliminate duplicates Z: 10 4.435 1.777 0.751 0.271 0.778 0.111 CB 0.793 9 residues pruned to eliminate duplicates Z: 6 2.146 1.635 0.551 0.100 0.600 0.000 CB 1.051 Z: 18 16.121 1.781 0.313 0.768 0.941 0.765 CB 1.402 18 residues pruned to eliminate duplicates Z: 19 16.666 1.870 0.494 0.742 0.889 0.611 CB 1.274 19 residues pruned to eliminate duplicates Z: 22 15.152 1.796 0.350 0.628 0.857 0.667 CB 1.410 19 residues pruned to eliminate duplicates Z: 16 21.287 1.910 0.524 0.838 1.000 0.800 CB 1.412 16 residues pruned to eliminate duplicates Z: 16 23.296 1.964 0.610 0.836 1.000 0.800 CB 1.424 16 residues pruned to eliminate duplicates Z: 18 18.705 1.862 0.403 0.780 1.000 0.647 CB 1.357 18 residues pruned to eliminate duplicates Z: 24 17.739 1.735 0.419 0.648 0.957 0.609 CB 1.369 24 residues pruned to eliminate duplicates Z: 16 22.719 1.878 0.517 0.883 1.000 0.733 CB 1.488 16 residues pruned to eliminate duplicates Z: 22 17.197 1.927 0.537 0.607 0.905 0.476 CB 1.266 22 residues pruned to eliminate duplicates Z: 18 20.156 1.855 0.704 0.790 0.941 0.706 CB 1.273 18 residues pruned to eliminate duplicates Z: 25 16.191 1.875 0.431 0.595 0.917 0.625 CB 1.227 25 residues pruned to eliminate duplicates Z: 20 21.961 1.872 0.514 0.764 0.947 0.579 CB 1.485 17 residues pruned to eliminate duplicates Z: 16 20.946 1.866 0.463 0.912 1.000 0.733 CB 1.402 16 residues pruned to eliminate duplicates Z: 17 19.014 1.903 0.600 0.782 0.875 0.750 CB 1.392 17 residues pruned to eliminate duplicates Z: 18 20.794 1.911 0.718 0.767 0.941 0.706 CB 1.289 18 residues pruned to eliminate duplicates Z: 22 19.382 1.810 0.613 0.663 0.905 0.667 CB 1.377 24 residues pruned to eliminate duplicates Z: 6 3.781 1.742 0.350 0.411 0.800 0.400 CB 0.986 6 residues pruned to eliminate duplicates Z: 38 24.332 1.973 0.562 0.561 0.919 0.568 CB 1.331 38 residues pruned to eliminate duplicates Z: 35 20.837 1.940 0.496 0.557 0.824 0.588 CB 1.415 35 residues pruned to eliminate duplicates Z: 36 26.671 2.063 0.558 0.603 0.886 0.657 CB 1.435 36 residues pruned to eliminate duplicates Z: 32 22.204 1.991 0.564 0.490 0.935 0.452 CB 1.382 32 residues pruned to eliminate duplicates Z: 28 32.787 2.102 0.736 0.607 1.000 0.556 CB 1.562 28 residues pruned to eliminate duplicates Z: 36 29.151 2.067 0.557 0.572 0.971 0.657 CB 1.471 36 residues pruned to eliminate duplicates Z: 43 26.852 1.997 0.529 0.522 0.952 0.500 CB 1.394 43 residues pruned to eliminate duplicates Z: 33 28.304 2.076 0.536 0.553 0.969 0.531 CB 1.538 33 residues pruned to eliminate duplicates Z: 29 22.891 2.052 0.601 0.541 0.857 0.500 CB 1.475 29 residues pruned to eliminate duplicates Z: 40 28.511 2.031 0.639 0.571 0.923 0.641 CB 1.387 40 residues pruned to eliminate duplicates Z: 30 24.263 2.087 0.528 0.580 0.966 0.448 CB 1.354 30 residues pruned to eliminate duplicates Z: 40 28.151 2.000 0.675 0.539 0.974 0.615 CB 1.330 40 residues pruned to eliminate duplicates Z: 39 29.946 2.034 0.616 0.618 0.974 0.500 CB 1.358 39 residues pruned to eliminate duplicates Z: 26 36.132 2.148 0.949 0.642 0.960 0.640 CB 1.574 26 residues pruned to eliminate duplicates Z: 41 25.721 2.013 0.532 0.556 0.925 0.525 CB 1.349 41 residues pruned to eliminate duplicates Z: 27 20.840 1.941 0.492 0.594 0.885 0.423 CB 1.458 27 residues pruned to eliminate duplicates Z: 39 26.280 2.020 0.618 0.559 0.947 0.526 CB 1.300 39 residues pruned to eliminate duplicates Z: 38 29.059 2.044 0.702 0.561 0.946 0.351 CB 1.368 38 residues pruned to eliminate duplicates Z: 37 28.728 2.068 0.709 0.594 0.917 0.639 CB 1.351 37 residues pruned to eliminate duplicates Z: 36 31.385 2.097 0.681 0.586 0.971 0.600 CB 1.426 36 residues pruned to eliminate duplicates Z: 29 28.020 2.111 0.725 0.581 0.929 0.643 CB 1.448 29 residues pruned to eliminate duplicates Z: 38 24.433 2.042 0.508 0.546 0.919 0.486 CB 1.358 38 residues pruned to eliminate duplicates Z: 41 26.059 1.999 0.666 0.506 0.900 0.575 CB 1.366 41 residues pruned to eliminate duplicates Z: 13 8.954 1.941 0.560 0.361 1.000 0.417 CB 0.991 13 residues pruned to eliminate duplicates Z: 42 26.791 1.991 0.558 0.563 0.951 0.585 CB 1.335 39 residues pruned to eliminate duplicates Z: 25 27.182 2.027 0.463 0.837 0.958 0.750 CB 1.461 25 residues pruned to eliminate duplicates Z: 61 36.570 2.020 0.502 0.658 0.983 0.683 CB 1.366 61 residues pruned to eliminate duplicates Z: 72 38.015 2.020 0.585 0.612 0.944 0.606 CB 1.344 72 residues pruned to eliminate duplicates Z: 30 28.383 2.000 0.461 0.753 0.966 0.586 CB 1.490 30 residues pruned to eliminate duplicates Z: 73 36.927 2.025 0.534 0.590 0.944 0.542 CB 1.361 73 residues pruned to eliminate duplicates Z: 29 32.041 2.070 0.697 0.781 0.964 0.643 CB 1.395 29 residues pruned to eliminate duplicates Z: 60 34.453 2.020 0.485 0.687 0.881 0.678 CB 1.428 71 residues pruned to eliminate duplicates Z: 22 28.201 2.031 0.531 0.869 1.000 0.619 CB 1.446 22 residues pruned to eliminate duplicates Z: 82 39.982 2.019 0.581 0.609 0.926 0.556 CB 1.355 82 residues pruned to eliminate duplicates Z: 37 28.776 2.045 0.613 0.651 0.917 0.583 CB 1.378 37 residues pruned to eliminate duplicates Z: 29 33.792 2.098 0.724 0.781 0.964 0.643 CB 1.429 29 residues pruned to eliminate duplicates Z: 29 30.552 2.013 0.682 0.758 0.929 0.679 CB 1.460 29 residues pruned to eliminate duplicates Z: 30 33.955 2.070 0.764 0.763 1.000 0.483 CB 1.368 30 residues pruned to eliminate duplicates Z: 32 26.233 1.981 0.655 0.706 0.903 0.452 CB 1.320 32 residues pruned to eliminate duplicates Z: 34 28.976 1.944 0.725 0.673 0.939 0.515 CB 1.365 34 residues pruned to eliminate duplicates Z: 27 31.947 2.095 0.791 0.794 0.923 0.462 CB 1.398 27 residues pruned to eliminate duplicates Z: 46 30.678 2.006 0.702 0.630 0.889 0.489 CB 1.334 46 residues pruned to eliminate duplicates Z: 32 27.699 2.021 0.761 0.712 0.935 0.548 CB 1.233 32 residues pruned to eliminate duplicates Z: 29 31.133 2.057 0.782 0.786 0.929 0.536 CB 1.343 29 residues pruned to eliminate duplicates Z: 39 30.999 2.035 0.771 0.714 0.868 0.500 CB 1.324 39 residues pruned to eliminate duplicates Z: 35 26.926 1.962 0.717 0.656 0.941 0.559 CB 1.260 35 residues pruned to eliminate duplicates Z: 31 29.765 2.044 0.679 0.694 0.933 0.633 CB 1.422 31 residues pruned to eliminate duplicates Z: 27 35.189 2.132 0.760 0.830 0.962 0.500 CB 1.438 27 residues pruned to eliminate duplicates Z: 37 24.698 1.974 0.629 0.664 0.861 0.444 CB 1.278 37 residues pruned to eliminate duplicates Z: 57 40.354 2.055 0.600 0.723 0.929 0.464 CB 1.444 57 residues pruned to eliminate duplicates Z: 38 33.658 2.001 0.732 0.688 1.000 0.459 CB 1.344 38 residues pruned to eliminate duplicates Z: 40 31.665 1.980 0.717 0.710 0.923 0.385 CB 1.335 40 residues pruned to eliminate duplicates Z: 18 10.360 1.796 0.326 0.431 0.824 0.471 CB 1.376 18 residues pruned to eliminate duplicates Z: 37 35.255 2.075 0.661 0.725 0.944 0.583 CB 1.474 37 residues pruned to eliminate duplicates Z: 39 33.663 2.042 0.644 0.765 0.921 0.684 CB 1.396 39 residues pruned to eliminate duplicates Z: 73 40.011 2.018 0.646 0.639 0.917 0.569 CB 1.359 73 residues pruned to eliminate duplicates Z: 42 28.689 2.000 0.522 0.643 0.976 0.463 CB 1.320 42 residues pruned to eliminate duplicates Z: 56 43.553 2.063 0.689 0.729 0.927 0.582 CB 1.479 56 residues pruned to eliminate duplicates Z: 57 37.804 2.055 0.674 0.680 0.929 0.518 CB 1.340 57 residues pruned to eliminate duplicates Z: 55 40.950 2.060 0.742 0.704 0.944 0.630 CB 1.366 55 residues pruned to eliminate duplicates Z: 88 46.219 2.078 0.613 0.649 0.920 0.667 CB 1.399 88 residues pruned to eliminate duplicates Z: 56 39.403 2.083 0.600 0.697 0.927 0.673 CB 1.436 56 residues pruned to eliminate duplicates Z: 19 26.676 2.155 0.695 0.737 0.889 0.778 CB 1.565 19 residues pruned to eliminate duplicates Z: 26 28.133 2.127 0.729 0.604 0.920 0.600 CB 1.506 30 residues pruned to eliminate duplicates Z: 17 28.151 2.121 0.483 0.872 1.000 0.875 CB 1.632 17 residues pruned to eliminate duplicates Z: 57 39.388 2.055 0.706 0.710 0.911 0.500 CB 1.363 57 residues pruned to eliminate duplicates Z: 55 40.008 2.077 0.733 0.715 0.889 0.704 CB 1.401 55 residues pruned to eliminate duplicates Z: 97 46.675 2.059 0.634 0.637 0.927 0.573 CB 1.344 97 residues pruned to eliminate duplicates Z: 55 39.289 2.062 0.671 0.710 0.907 0.593 CB 1.413 55 residues pruned to eliminate duplicates Z: 65 40.379 2.062 0.678 0.643 0.922 0.562 CB 1.384 65 residues pruned to eliminate duplicates Z: 18 28.848 2.188 0.590 0.774 0.941 0.706 CB 1.677 18 residues pruned to eliminate duplicates Z: 29 22.604 2.119 0.586 0.535 0.893 0.643 CB 1.376 29 residues pruned to eliminate duplicates Z: 19 27.493 2.123 0.597 0.717 0.944 0.778 CA 1.661 19 residues pruned to eliminate duplicates Z: 23 27.488 2.055 0.854 0.607 0.864 0.591 CB 1.609 23 residues pruned to eliminate duplicates Z: 101 46.547 2.029 0.676 0.630 0.890 0.600 CB 1.361 101 residues pruned to eliminate duplicates Z: 16 33.764 2.260 0.629 0.829 0.933 0.800 CB 1.909 16 residues pruned to eliminate duplicates Z: 19 27.291 2.142 0.660 0.734 0.889 0.778 CB 1.649 19 residues pruned to eliminate duplicates Z: 28 20.794 1.987 0.597 0.596 0.852 0.667 CB 1.351 28 residues pruned to eliminate duplicates Z: 11 12.034 1.747 0.272 0.886 1.000 0.900 CB 1.236 11 residues pruned to eliminate duplicates Z: 11 14.551 1.662 0.736 0.796 0.900 0.800 CB 1.367 12 residues pruned to eliminate duplicates Z: 11 10.600 1.588 0.358 0.802 1.000 0.600 CB 1.194 11 residues pruned to eliminate duplicates Z: 8 10.437 1.746 0.678 0.840 0.857 0.571 CB 1.172 8 residues pruned to eliminate duplicates Z: 11 13.685 1.698 0.676 0.790 0.900 0.600 CB 1.310 11 residues pruned to eliminate duplicates Z: 12 11.037 1.603 0.544 0.717 1.000 0.545 CB 1.105 12 residues pruned to eliminate duplicates Z: 10 14.736 1.763 0.645 0.890 1.000 0.889 CB 1.219 10 residues pruned to eliminate duplicates Z: 13 8.471 1.579 0.682 0.638 0.750 0.583 CB 1.079 13 residues pruned to eliminate duplicates Z: 12 11.897 1.586 0.627 0.793 0.909 0.455 CB 1.182 12 residues pruned to eliminate duplicates Z: 11 9.598 1.658 0.147 0.767 1.000 0.800 CA 1.260 11 residues pruned to eliminate duplicates Z: 16 12.335 1.756 0.196 0.785 0.933 0.800 CB 1.264 16 residues pruned to eliminate duplicates Z: 13 9.210 1.574 0.361 0.600 1.000 0.583 CB 1.129 13 residues pruned to eliminate duplicates Z: 19 16.423 1.691 0.517 0.817 0.944 0.556 CB 1.214 20 residues pruned to eliminate duplicates Z: 17 18.169 1.755 0.411 0.931 1.000 0.688 CB 1.282 17 residues pruned to eliminate duplicates Z: 17 16.488 1.731 0.504 0.804 0.938 0.625 CB 1.295 17 residues pruned to eliminate duplicates Z: 16 17.663 1.776 0.535 0.862 0.933 0.667 CB 1.316 16 residues pruned to eliminate duplicates Z: 17 15.344 1.740 0.482 0.821 0.875 0.375 CB 1.288 17 residues pruned to eliminate duplicates Z: 16 14.289 1.792 0.437 0.875 0.800 0.667 CB 1.303 16 residues pruned to eliminate duplicates Z: 18 14.376 1.742 0.272 0.805 0.941 0.706 CB 1.282 18 residues pruned to eliminate duplicates Z: 7 3.760 1.724 0.328 0.571 0.667 0.667 CB 0.939 7 residues pruned to eliminate duplicates Z: 8 4.237 1.779 0.453 0.436 1.000 0.429 CB 0.662 8 residues pruned to eliminate duplicates Z: 18 16.338 1.692 0.705 0.795 0.882 0.471 CB 1.203 18 residues pruned to eliminate duplicates Z: 10 8.238 1.722 0.394 0.783 0.889 0.667 CB 1.004 10 residues pruned to eliminate duplicates Z: 8 10.146 1.845 0.240 0.760 1.000 0.857 CB 1.331 8 residues pruned to eliminate duplicates Z: 10 7.927 1.705 0.517 0.838 0.889 0.667 CB 0.859 10 residues pruned to eliminate duplicates Z: 14 14.148 1.680 0.708 0.928 1.000 0.769 CB 0.958 14 residues pruned to eliminate duplicates Z: 37 26.330 1.960 0.565 0.566 0.917 0.611 CB 1.464 44 residues pruned to eliminate duplicates Z: 6 2.600 1.287 0.529 0.290 0.800 0.200 C 0.935 6 residues pruned to eliminate duplicates Z: 28 27.898 2.043 0.527 0.678 0.963 0.704 CB 1.517 28 residues pruned to eliminate duplicates Z: 32 25.923 1.993 0.574 0.608 0.935 0.613 CB 1.432 32 residues pruned to eliminate duplicates Z: 18 27.526 2.095 0.598 0.718 0.941 0.824 CB 1.740 18 residues pruned to eliminate duplicates Z: 27 25.942 2.086 0.462 0.640 0.923 0.692 CB 1.585 27 residues pruned to eliminate duplicates Z: 31 18.858 1.910 0.389 0.519 0.933 0.633 CB 1.365 31 residues pruned to eliminate duplicates Z: 30 26.109 2.043 0.491 0.645 0.931 0.655 CB 1.492 30 residues pruned to eliminate duplicates Z: 28 30.137 2.092 0.550 0.668 1.000 0.667 CB 1.531 28 residues pruned to eliminate duplicates Z: 27 27.226 2.082 0.474 0.631 1.000 0.654 CB 1.539 27 residues pruned to eliminate duplicates Z: 27 26.414 2.139 0.486 0.630 0.923 0.654 CB 1.563 27 residues pruned to eliminate duplicates Z: 29 26.487 2.056 0.507 0.617 0.964 0.643 CB 1.500 29 residues pruned to eliminate duplicates Z: 28 26.540 2.078 0.522 0.620 0.963 0.704 CB 1.497 28 residues pruned to eliminate duplicates Z: 29 24.639 2.016 0.508 0.594 0.929 0.786 CB 1.507 29 residues pruned to eliminate duplicates Z: 27 29.093 2.088 0.575 0.659 0.923 0.615 CB 1.623 27 residues pruned to eliminate duplicates Z: 29 33.019 2.075 0.664 0.652 1.000 0.714 CB 1.570 29 residues pruned to eliminate duplicates Z: 29 28.701 2.063 0.551 0.649 0.964 0.607 CB 1.529 29 residues pruned to eliminate duplicates Z: 28 24.335 1.983 0.647 0.618 0.926 0.444 CB 1.385 28 residues pruned to eliminate duplicates Z: 28 24.470 2.010 0.523 0.606 0.926 0.630 CB 1.502 28 residues pruned to eliminate duplicates Z: 33 21.847 1.939 0.424 0.562 0.906 0.469 CB 1.453 33 residues pruned to eliminate duplicates Z: 28 25.213 2.027 0.496 0.646 0.963 0.519 CB 1.451 28 residues pruned to eliminate duplicates Z: 28 28.738 2.062 0.561 0.607 1.000 0.593 CB 1.552 28 residues pruned to eliminate duplicates Z: 29 25.007 2.026 0.437 0.602 0.964 0.607 CB 1.527 29 residues pruned to eliminate duplicates Z: 29 27.059 2.038 0.498 0.656 0.929 0.750 CB 1.560 29 residues pruned to eliminate duplicates Z: 29 24.739 2.040 0.435 0.598 0.929 0.643 CB 1.567 29 residues pruned to eliminate duplicates Z: 47 34.093 1.954 0.555 0.684 0.957 0.652 CB 1.461 47 residues pruned to eliminate duplicates Z: 29 28.921 2.042 0.611 0.647 0.964 0.464 CB 1.502 29 residues pruned to eliminate duplicates Z: 49 33.971 1.907 0.673 0.671 0.958 0.625 CB 1.369 49 residues pruned to eliminate duplicates Z: 70 35.546 1.932 0.531 0.644 0.899 0.522 CB 1.408 70 residues pruned to eliminate duplicates Z: 45 34.086 1.939 0.559 0.684 1.000 0.682 CB 1.436 45 residues pruned to eliminate duplicates Z: 26 24.324 1.829 0.421 0.803 0.960 0.760 CB 1.496 26 residues pruned to eliminate duplicates Z: 48 35.077 1.931 0.652 0.633 0.979 0.596 CB 1.447 48 residues pruned to eliminate duplicates Z: 17 31.468 1.929 0.930 0.783 1.000 0.750 CB 1.646 17 residues pruned to eliminate duplicates Z: 17 29.743 1.940 0.962 0.776 0.938 0.750 CB 1.633 17 residues pruned to eliminate duplicates Z: 45 30.185 1.907 0.522 0.666 0.955 0.636 CB 1.407 43 residues pruned to eliminate duplicates Z: 24 31.684 1.938 0.639 0.923 0.957 0.696 CB 1.528 24 residues pruned to eliminate duplicates Z: 88 48.886 1.987 0.628 0.670 0.966 0.621 CB 1.434 85 residues pruned to eliminate duplicates Z: 23 27.921 1.913 0.597 0.898 0.955 0.682 CB 1.460 23 residues pruned to eliminate duplicates Z: 36 41.264 2.010 0.829 0.760 1.000 0.371 CB 1.506 36 residues pruned to eliminate duplicates Z: 18 26.898 1.915 0.947 0.843 0.882 0.294 CB 1.476 18 residues pruned to eliminate duplicates Z: 35 30.863 1.964 0.688 0.688 0.882 0.529 CB 1.523 35 residues pruned to eliminate duplicates Z: 37 38.142 1.989 0.853 0.720 0.944 0.528 CB 1.497 37 residues pruned to eliminate duplicates Z: 24 28.497 1.948 0.793 0.843 0.870 0.522 CB 1.457 24 residues pruned to eliminate duplicates Z: 39 30.903 1.994 0.741 0.698 0.868 0.553 CB 1.388 39 residues pruned to eliminate duplicates Z: 37 38.017 2.014 0.819 0.751 0.972 0.611 CB 1.422 37 residues pruned to eliminate duplicates Z: 36 41.740 2.041 0.809 0.775 1.000 0.629 CB 1.498 36 residues pruned to eliminate duplicates Z: 37 38.171 2.025 0.847 0.741 0.917 0.528 CB 1.495 37 residues pruned to eliminate duplicates Z: 36 43.053 2.046 0.865 0.768 1.000 0.514 CB 1.505 36 residues pruned to eliminate duplicates Z: 54 39.589 2.021 0.682 0.724 0.943 0.566 CB 1.386 54 residues pruned to eliminate duplicates Z: 50 38.250 2.003 0.757 0.722 0.878 0.551 CB 1.448 50 residues pruned to eliminate duplicates Z: 22 32.278 1.964 0.870 0.917 0.905 0.571 CB 1.496 22 residues pruned to eliminate duplicates Z: 35 32.570 1.982 0.719 0.660 0.912 0.441 CB 1.550 35 residues pruned to eliminate duplicates Z: 38 37.399 1.996 0.854 0.761 0.946 0.541 CB 1.394 38 residues pruned to eliminate duplicates Z: 36 38.298 2.036 0.788 0.745 0.971 0.457 CB 1.471 36 residues pruned to eliminate duplicates Z: 39 37.862 1.948 0.836 0.747 0.974 0.474 CB 1.415 39 residues pruned to eliminate duplicates Z: 37 39.453 2.028 0.815 0.768 0.944 0.500 CB 1.492 37 residues pruned to eliminate duplicates Z: 68 42.054 1.979 0.698 0.676 0.940 0.448 CB 1.383 68 residues pruned to eliminate duplicates Z: 37 39.730 2.021 0.868 0.737 0.944 0.528 CB 1.502 37 residues pruned to eliminate duplicates Z: 36 39.935 2.024 0.863 0.766 0.943 0.543 CB 1.500 36 residues pruned to eliminate duplicates Z: 35 28.071 1.934 0.805 0.707 0.853 0.412 CB 1.340 35 residues pruned to eliminate duplicates Z: 37 40.257 2.018 0.904 0.740 0.944 0.528 CB 1.491 37 residues pruned to eliminate duplicates Z: 29 26.981 1.947 0.703 0.631 0.964 0.607 CB 1.410 29 residues pruned to eliminate duplicates Z: 39 33.224 1.949 0.786 0.721 0.921 0.632 CB 1.376 39 residues pruned to eliminate duplicates Z: 15 10.872 1.903 0.580 0.423 0.786 0.429 CB 1.332 15 residues pruned to eliminate duplicates Z: 33 31.409 1.979 0.790 0.737 0.938 0.500 CB 1.352 33 residues pruned to eliminate duplicates Z: 54 37.803 2.030 0.657 0.718 0.906 0.509 CB 1.399 54 residues pruned to eliminate duplicates Z: 53 34.825 1.958 0.744 0.715 0.865 0.519 CB 1.345 53 residues pruned to eliminate duplicates Z: 43 32.726 2.012 0.760 0.672 0.833 0.476 CB 1.461 43 residues pruned to eliminate duplicates Z: 17 20.053 2.048 0.231 0.781 1.000 0.750 CB 1.553 17 residues pruned to eliminate duplicates Z: 18 21.416 1.969 0.421 0.763 0.941 0.824 CB 1.562 18 residues pruned to eliminate duplicates Z: 18 17.661 1.970 0.403 0.709 0.941 0.647 CB 1.361 18 residues pruned to eliminate duplicates Z: 55 39.384 1.997 0.694 0.718 0.944 0.537 CB 1.377 55 residues pruned to eliminate duplicates Z: 17 22.901 2.022 0.635 0.746 0.938 0.812 CB 1.483 17 residues pruned to eliminate duplicates Z: 16 22.438 1.983 0.472 0.856 1.000 0.800 CB 1.464 16 residues pruned to eliminate duplicates Z: 46 34.776 2.014 0.661 0.716 0.911 0.667 CB 1.399 46 residues pruned to eliminate duplicates Z: 18 17.506 2.016 0.507 0.738 0.824 0.647 CB 1.371 18 residues pruned to eliminate duplicates Z: 17 21.303 2.062 0.625 0.791 0.875 0.562 CB 1.407 17 residues pruned to eliminate duplicates Z: 17 21.929 2.034 0.560 0.789 0.938 0.625 CB 1.430 17 residues pruned to eliminate duplicates Z: 17 22.597 2.038 0.525 0.769 0.938 0.688 CB 1.528 17 residues pruned to eliminate duplicates Z: 18 22.501 2.033 0.585 0.729 0.941 0.647 CB 1.465 18 residues pruned to eliminate duplicates Z: 19 21.308 1.949 0.514 0.710 0.889 0.444 CB 1.582 19 residues pruned to eliminate duplicates Z: 19 17.495 1.938 0.622 0.674 0.889 0.333 CB 1.257 19 residues pruned to eliminate duplicates Z: 22 16.350 1.919 0.471 0.629 0.857 0.524 CB 1.306 22 residues pruned to eliminate duplicates Z: 16 31.038 2.171 0.575 0.796 1.000 0.733 CB 1.809 16 residues pruned to eliminate duplicates Z: 28 28.717 2.076 0.626 0.681 0.926 0.704 CB 1.496 28 residues pruned to eliminate duplicates Z: 25 28.040 2.101 0.541 0.723 0.958 0.792 CB 1.508 25 residues pruned to eliminate duplicates Z: 26 30.046 2.127 0.659 0.709 0.960 0.720 CB 1.467 26 residues pruned to eliminate duplicates Z: 18 29.330 2.134 0.717 0.735 0.941 0.588 CA 1.670 18 residues pruned to eliminate duplicates Z: 27 28.387 2.109 0.581 0.682 0.923 0.615 CB 1.531 27 residues pruned to eliminate duplicates Z: 27 27.850 2.125 0.568 0.681 0.923 0.769 CB 1.504 27 residues pruned to eliminate duplicates Z: 30 26.501 2.003 0.724 0.630 0.897 0.552 CB 1.407 30 residues pruned to eliminate duplicates Z: 16 33.408 2.234 0.752 0.793 0.933 0.600 CA 1.826 16 residues pruned to eliminate duplicates Z: 28 27.215 2.065 0.588 0.670 0.926 0.741 CB 1.475 28 residues pruned to eliminate duplicates Z: 27 30.785 2.086 0.678 0.680 0.962 0.731 CB 1.521 27 residues pruned to eliminate duplicates Z: 27 30.564 2.058 0.676 0.659 0.962 0.654 CB 1.559 27 residues pruned to eliminate duplicates Z: 26 26.237 2.042 0.630 0.632 0.920 0.680 CB 1.514 26 residues pruned to eliminate duplicates Z: 18 29.213 2.135 0.750 0.752 0.882 0.706 CA 1.717 18 residues pruned to eliminate duplicates Z: 27 30.342 2.078 0.613 0.683 0.962 0.692 CB 1.560 27 residues pruned to eliminate duplicates Z: 27 30.397 2.124 0.598 0.706 0.923 0.654 CB 1.578 27 residues pruned to eliminate duplicates Z: 30 28.015 2.002 0.660 0.627 0.931 0.655 CB 1.491 30 residues pruned to eliminate duplicates Z: 65 41.649 2.116 0.668 0.612 0.906 0.609 CB 1.464 65 residues pruned to eliminate duplicates Z: 42 27.154 2.099 0.480 0.581 0.878 0.610 CB 1.438 42 residues pruned to eliminate duplicates Z: 26 22.374 1.957 0.494 0.604 0.880 0.840 CB 1.574 26 residues pruned to eliminate duplicates Z: 26 21.142 2.049 0.347 0.609 0.840 0.720 CB 1.645 26 residues pruned to eliminate duplicates Z: 41 35.891 2.085 0.711 0.671 0.900 0.675 CB 1.510 41 residues pruned to eliminate duplicates Z: 29 27.101 2.026 0.617 0.658 0.893 0.643 CB 1.512 29 residues pruned to eliminate duplicates Z: 28 29.141 2.023 0.749 0.664 0.852 0.667 CB 1.598 28 residues pruned to eliminate duplicates Z: 7 6.528 2.017 0.458 0.516 0.667 0.500 CB 1.338 7 residues pruned to eliminate duplicates Z: 41 31.648 2.115 0.537 0.675 0.900 0.650 CB 1.456 41 residues pruned to eliminate duplicates Z: 45 29.107 2.001 0.627 0.600 0.864 0.636 CB 1.418 45 residues pruned to eliminate duplicates Z: 55 28.619 2.167 0.396 0.479 0.907 0.481 CB 1.450 55 residues pruned to eliminate duplicates Z: 48 27.901 2.199 0.608 0.505 0.830 0.574 CB 1.380 48 residues pruned to eliminate duplicates Z: 52 32.656 2.219 0.552 0.525 0.902 0.608 CB 1.435 52 residues pruned to eliminate duplicates Z: 17 14.354 2.022 0.385 0.520 0.938 0.500 CB 1.341 17 residues pruned to eliminate duplicates Z: 20 16.235 2.018 0.468 0.545 0.895 0.421 CB 1.344 20 residues pruned to eliminate duplicates Z: 47 36.059 2.253 0.630 0.544 0.913 0.674 CB 1.518 47 residues pruned to eliminate duplicates Z: 47 33.855 2.203 0.656 0.571 0.848 0.630 CB 1.506 47 residues pruned to eliminate duplicates Z: 20 18.099 2.036 0.669 0.520 0.895 0.421 CB 1.338 20 residues pruned to eliminate duplicates Z: 14 19.539 2.190 0.672 0.679 0.846 0.462 CB 1.483 14 residues pruned to eliminate duplicates Z: 47 33.809 2.255 0.642 0.531 0.891 0.543 CB 1.464 47 residues pruned to eliminate duplicates Z: 12 32.039 2.171 0.906 0.865 1.000 0.364 CB 1.710 12 residues pruned to eliminate duplicates Z: 52 28.856 2.160 0.582 0.486 0.863 0.510 CB 1.391 52 residues pruned to eliminate duplicates Z: 60 31.818 2.146 0.645 0.471 0.864 0.407 CB 1.398 60 residues pruned to eliminate duplicates Z: 47 37.048 2.275 0.800 0.536 0.870 0.522 CB 1.481 47 residues pruned to eliminate duplicates Z: 36 26.583 2.238 0.692 0.455 0.886 0.629 CB 1.402 36 residues pruned to eliminate duplicates Z: 42 28.627 2.198 0.784 0.502 0.805 0.488 CB 1.414 42 residues pruned to eliminate duplicates Z: 53 25.948 2.098 0.583 0.458 0.846 0.462 CB 1.336 53 residues pruned to eliminate duplicates Z: 49 32.574 2.159 0.662 0.436 0.896 0.500 CB 1.562 49 residues pruned to eliminate duplicates Z: 51 28.937 2.194 0.577 0.460 0.840 0.580 CB 1.467 51 residues pruned to eliminate duplicates Z: 43 24.894 2.103 0.636 0.445 0.929 0.476 CB 1.273 43 residues pruned to eliminate duplicates Z: 15 25.540 2.325 0.780 0.609 1.000 0.714 CB 1.487 15 residues pruned to eliminate duplicates Z: 52 31.670 2.185 0.649 0.464 0.863 0.569 CB 1.481 52 residues pruned to eliminate duplicates Z: 31 32.807 2.231 0.881 0.605 0.867 0.467 CB 1.490 31 residues pruned to eliminate duplicates Z: 17 22.430 2.270 0.692 0.611 0.938 0.688 CB 1.402 17 residues pruned to eliminate duplicates Z: 44 31.837 2.119 0.731 0.505 0.907 0.628 CB 1.452 44 residues pruned to eliminate duplicates Z: 63 34.300 2.127 0.711 0.430 0.903 0.500 CB 1.425 63 residues pruned to eliminate duplicates Z: 36 24.401 2.179 0.657 0.444 0.857 0.686 CB 1.412 36 residues pruned to eliminate duplicates Z: 39 24.783 2.138 0.600 0.421 0.895 0.526 CB 1.426 39 residues pruned to eliminate duplicates Z: 100 67.103 2.270 0.721 0.659 0.949 0.717 CB 1.569 100 residues pruned to eliminate duplicates Z: 6 7.772 1.556 1.052 0.357 1.000 0.800 CA 1.270 6 residues pruned to eliminate duplicates Z: 53 34.070 2.199 0.730 0.467 0.904 0.558 CB 1.422 53 residues pruned to eliminate duplicates Z: 46 30.883 2.200 0.646 0.503 0.844 0.467 CB 1.501 46 residues pruned to eliminate duplicates Z: 42 22.325 2.123 0.619 0.380 0.854 0.463 CB 1.350 42 residues pruned to eliminate duplicates Z: 46 39.962 2.264 0.875 0.569 0.889 0.511 CB 1.476 46 residues pruned to eliminate duplicates Z: 39 27.028 2.202 0.715 0.428 0.816 0.500 CB 1.534 39 residues pruned to eliminate duplicates Z: 49 37.353 2.206 0.749 0.528 0.896 0.562 CB 1.516 49 residues pruned to eliminate duplicates Z: 45 29.039 2.157 0.781 0.432 0.886 0.614 CB 1.379 45 residues pruned to eliminate duplicates Z: 47 32.875 2.220 0.735 0.509 0.848 0.500 CB 1.470 47 residues pruned to eliminate duplicates Z: 47 32.286 2.178 0.715 0.469 0.870 0.478 CB 1.512 47 residues pruned to eliminate duplicates Z: 51 31.309 2.173 0.733 0.447 0.880 0.540 CB 1.411 51 residues pruned to eliminate duplicates Z: 51 28.376 2.143 0.615 0.404 0.880 0.460 CB 1.457 51 residues pruned to eliminate duplicates Z: 45 30.315 2.163 0.712 0.427 0.932 0.545 CB 1.429 45 residues pruned to eliminate duplicates Z: 89 55.855 2.201 0.779 0.607 0.886 0.636 CB 1.550 89 residues pruned to eliminate duplicates Z: 101 69.412 2.278 0.826 0.675 0.900 0.680 CB 1.578 101 residues pruned to eliminate duplicates Z: 99 61.209 2.240 0.704 0.648 0.888 0.612 CB 1.589 99 residues pruned to eliminate duplicates Z: 99 67.406 2.280 0.890 0.648 0.898 0.663 CB 1.534 99 residues pruned to eliminate duplicates Z: 70 56.947 2.228 0.878 0.654 0.913 0.696 CB 1.554 70 residues pruned to eliminate duplicates Z: 56 62.035 2.273 0.926 0.767 0.964 0.745 CB 1.565 56 residues pruned to eliminate duplicates Z: 10 33.708 2.181 1.519 0.857 1.000 0.333 CB 1.507 10 residues pruned to eliminate duplicates Z: 71 52.285 2.202 0.882 0.670 0.886 0.671 CB 1.455 71 residues pruned to eliminate duplicates Z: 54 61.850 2.299 0.848 0.791 0.943 0.736 CB 1.643 54 residues pruned to eliminate duplicates Z: 77 55.202 2.252 0.796 0.614 0.908 0.684 CB 1.548 77 residues pruned to eliminate duplicates Z: 68 58.406 2.233 0.953 0.671 0.925 0.657 CB 1.510 67 residues pruned to eliminate duplicates Z: 9 34.871 2.365 1.622 0.883 1.000 0.250 CB 1.438 9 residues pruned to eliminate duplicates Z: 99 56.648 2.226 0.779 0.633 0.857 0.643 CB 1.488 99 residues pruned to eliminate duplicates Z: 62 49.135 2.217 0.830 0.629 0.885 0.721 CB 1.551 62 residues pruned to eliminate duplicates Z: 89 61.581 2.238 0.760 0.626 0.955 0.659 CB 1.551 89 residues pruned to eliminate duplicates Z: 44 52.716 2.280 0.825 0.736 0.953 0.791 CA 1.639 44 residues pruned to eliminate duplicates Z: 84 60.603 2.256 0.760 0.656 0.904 0.723 CB 1.604 84 residues pruned to eliminate duplicates Z: 87 64.149 2.285 0.815 0.658 0.919 0.674 CB 1.568 87 residues pruned to eliminate duplicates Z: 40 63.071 2.338 0.880 0.840 1.000 0.795 CB 1.714 40 residues pruned to eliminate duplicates Z: 41 64.841 2.327 1.021 0.821 0.975 0.775 CB 1.692 41 residues pruned to eliminate duplicates Z: 97 59.517 2.268 0.829 0.651 0.854 0.667 CB 1.491 97 residues pruned to eliminate duplicates Z: 41 53.824 2.262 0.940 0.737 0.975 0.800 CB 1.608 41 residues pruned to eliminate duplicates Z: 78 60.541 2.257 0.958 0.639 0.922 0.675 CB 1.487 78 residues pruned to eliminate duplicates Z: 54 61.308 2.290 0.951 0.785 0.925 0.679 CB 1.586 56 residues pruned to eliminate duplicates Z: 22 46.870 2.353 0.787 0.951 1.000 0.714 CA 1.676 22 residues pruned to eliminate duplicates Z: 97 65.097 2.241 0.867 0.640 0.896 0.594 CB 1.555 97 residues pruned to eliminate duplicates Z: 54 60.780 2.304 0.852 0.803 0.943 0.679 CB 1.592 54 residues pruned to eliminate duplicates Z: 42 59.604 2.312 0.968 0.795 0.976 0.707 CB 1.619 42 residues pruned to eliminate duplicates Z: 56 65.902 2.289 1.054 0.766 0.964 0.636 CB 1.550 55 residues pruned to eliminate duplicates Z: 31 60.924 2.318 0.951 0.933 1.000 0.700 CB 1.717 31 residues pruned to eliminate duplicates Z: 88 59.880 2.281 0.829 0.643 0.897 0.632 CB 1.502 88 residues pruned to eliminate duplicates Z: 40 51.125 2.243 1.048 0.771 0.923 0.513 CB 1.519 40 residues pruned to eliminate duplicates Z: 59 59.875 2.246 0.992 0.731 0.948 0.552 CB 1.505 59 residues pruned to eliminate duplicates Z: 67 55.027 2.217 0.774 0.680 0.939 0.576 CB 1.554 67 residues pruned to eliminate duplicates Z: 71 55.256 2.289 0.741 0.650 0.914 0.557 CB 1.576 71 residues pruned to eliminate duplicates Z: 99 60.974 2.243 0.872 0.638 0.867 0.469 CB 1.485 99 residues pruned to eliminate duplicates Z: 67 49.763 2.162 0.876 0.685 0.894 0.530 CB 1.426 66 residues pruned to eliminate duplicates Z: 17 28.552 2.046 0.616 0.919 0.938 0.750 CA 1.623 17 residues pruned to eliminate duplicates Z: 56 58.365 2.253 0.921 0.766 0.927 0.618 CB 1.549 56 residues pruned to eliminate duplicates Z: 101 68.492 2.266 0.909 0.657 0.920 0.620 CB 1.487 101 residues pruned to eliminate duplicates Z: 56 57.960 2.249 0.961 0.765 0.945 0.564 CB 1.481 56 residues pruned to eliminate duplicates Z: 57 51.766 2.208 0.807 0.769 0.929 0.500 CB 1.472 57 residues pruned to eliminate duplicates Z: 125 68.133 2.207 0.730 0.664 0.919 0.637 CB 1.498 125 residues pruned to eliminate duplicates Z: 61 51.290 2.279 0.848 0.649 0.900 0.567 CB 1.520 61 residues pruned to eliminate duplicates Z: 35 20.603 2.053 0.598 0.432 0.853 0.559 CB 1.354 17 residues pruned to eliminate duplicates Z: 14 22.758 2.158 0.498 0.889 1.000 0.923 CB 1.406 14 residues pruned to eliminate duplicates Z: 15 20.655 2.075 0.818 0.698 0.857 0.714 CB 1.424 15 residues pruned to eliminate duplicates Z: 18 18.506 2.030 0.758 0.600 0.882 0.588 CB 1.295 18 residues pruned to eliminate duplicates Z: 85 56.784 2.254 0.918 0.601 0.869 0.571 CB 1.499 85 residues pruned to eliminate duplicates Z: 73 57.266 2.267 0.937 0.669 0.889 0.556 CB 1.478 73 residues pruned to eliminate duplicates Z: 54 54.573 2.262 1.003 0.733 0.943 0.566 CB 1.422 54 residues pruned to eliminate duplicates Z: 15 20.319 2.116 0.859 0.721 0.929 0.714 CB 1.218 15 residues pruned to eliminate duplicates Z: 52 59.657 2.255 1.054 0.774 0.941 0.529 CB 1.503 52 residues pruned to eliminate duplicates Z: 15 18.545 2.040 0.681 0.694 0.929 0.714 CB 1.304 15 residues pruned to eliminate duplicates Z: 55 64.481 2.278 1.074 0.789 0.944 0.481 CB 1.526 55 residues pruned to eliminate duplicates Z: 15 23.809 2.082 0.689 0.793 1.000 0.786 CB 1.399 15 residues pruned to eliminate duplicates Z: 16 23.393 1.949 0.732 0.796 0.933 0.733 CB 1.479 16 residues pruned to eliminate duplicates Z: 11 4.579 1.552 0.385 0.357 0.800 0.400 CB 0.983 11 residues pruned to eliminate duplicates Z: 9 5.366 1.586 0.553 0.341 0.875 0.125 CB 1.048 Z: 12 12.158 1.763 0.326 0.906 1.000 0.818 CB 1.115 20 residues pruned to eliminate duplicates Z: 12 9.733 1.789 0.354 0.876 0.818 0.636 CB 1.076 12 residues pruned to eliminate duplicates Z: 11 12.833 1.852 0.597 0.876 0.900 0.500 CB 1.108 11 residues pruned to eliminate duplicates Z: 13 10.753 1.733 0.534 0.660 0.917 0.667 CB 1.098 13 residues pruned to eliminate duplicates Z: 13 10.287 1.757 0.496 0.774 0.917 0.667 CB 0.968 13 residues pruned to eliminate duplicates Z: 8 7.167 1.759 0.332 0.601 0.857 0.714 CB 1.225 8 residues pruned to eliminate duplicates Z: 9 10.025 1.628 0.602 0.628 1.000 0.750 N 1.205 9 residues pruned to eliminate duplicates Z: 11 12.176 1.775 0.671 0.904 0.900 0.700 CB 1.027 11 residues pruned to eliminate duplicates Z: 10 12.723 1.782 0.618 0.843 1.000 0.556 CB 1.095 10 residues pruned to eliminate duplicates Z: 9 10.887 2.116 0.911 0.479 0.875 0.750 CB 1.111 9 residues pruned to eliminate duplicates Z: 17 12.469 2.085 0.531 0.535 0.812 0.688 CB 1.161 20 residues pruned to eliminate duplicates Z: 6 12.267 2.219 0.523 0.778 1.000 0.800 CB 1.271 6 residues pruned to eliminate duplicates Z: 30 10.736 1.899 0.347 0.378 0.793 0.448 CB 1.119 30 residues pruned to eliminate duplicates Z: 12 7.786 2.135 0.282 0.445 1.000 0.818 CB 0.907 12 residues pruned to eliminate duplicates Z: 58 29.016 2.059 0.515 0.529 0.912 0.632 CB 1.313 60 residues pruned to eliminate duplicates Z: 11 9.373 1.990 0.464 0.566 0.800 0.700 CB 1.193 11 residues pruned to eliminate duplicates Z: 17 14.156 2.114 0.455 0.551 0.875 0.812 CB 1.251 17 residues pruned to eliminate duplicates Z: 7 6.189 1.482 0.488 0.424 1.000 0.833 CA 1.240 7 residues pruned to eliminate duplicates Z: 68 27.150 2.003 0.532 0.467 0.881 0.567 CB 1.269 68 residues pruned to eliminate duplicates Z: 46 17.543 1.963 0.500 0.411 0.778 0.511 CB 1.253 50 residues pruned to eliminate duplicates Z: 6 2.768 1.758 0.078 0.248 0.800 0.400 CB 1.091 6 residues pruned to eliminate duplicates Z: 44 17.470 1.997 0.491 0.395 0.791 0.395 CB 1.264 44 residues pruned to eliminate duplicates Z: 55 30.321 2.019 0.599 0.519 0.944 0.519 CB 1.327 55 residues pruned to eliminate duplicates Z: 9 6.395 1.604 0.168 0.629 1.000 0.875 CB 1.069 9 residues pruned to eliminate duplicates Z: 18 11.762 1.790 0.533 0.457 0.941 0.765 CB 1.154 18 residues pruned to eliminate duplicates Z: 23 17.911 1.981 0.540 0.454 0.955 0.636 CB 1.375 23 residues pruned to eliminate duplicates Z: 24 14.915 1.951 0.559 0.487 0.826 0.565 CB 1.254 24 residues pruned to eliminate duplicates Z: 51 36.024 2.045 0.639 0.558 0.980 0.620 CB 1.465 51 residues pruned to eliminate duplicates Z: 6 6.999 1.669 0.560 0.556 1.000 0.800 O 1.138 6 residues pruned to eliminate duplicates Z: 53 30.654 1.997 0.591 0.553 0.923 0.673 CB 1.376 53 residues pruned to eliminate duplicates Z: 7 4.270 1.710 0.220 0.320 1.000 0.500 CB 1.019 7 residues pruned to eliminate duplicates Z: 49 32.821 2.046 0.707 0.559 0.917 0.646 CB 1.398 49 residues pruned to eliminate duplicates Z: 18 12.872 1.964 0.537 0.416 0.882 0.588 CB 1.279 18 residues pruned to eliminate duplicates Z: 51 30.900 2.039 0.601 0.524 0.920 0.580 CB 1.421 51 residues pruned to eliminate duplicates Z: 41 26.414 2.035 0.600 0.546 0.975 0.625 CB 1.258 41 residues pruned to eliminate duplicates Z: 50 27.409 2.048 0.534 0.516 0.898 0.653 CB 1.366 50 residues pruned to eliminate duplicates Z: 51 32.414 2.022 0.642 0.542 0.920 0.680 CB 1.440 51 residues pruned to eliminate duplicates Z: 51 29.051 2.026 0.652 0.505 0.920 0.640 CB 1.328 51 residues pruned to eliminate duplicates Z: 42 28.947 2.040 0.714 0.528 0.902 0.610 CB 1.394 42 residues pruned to eliminate duplicates Z: 60 30.226 1.963 0.646 0.513 0.915 0.661 CB 1.314 59 residues pruned to eliminate duplicates Z: 6 4.442 1.513 0.417 0.339 1.000 0.800 CB 1.105 6 residues pruned to eliminate duplicates Z: 31 31.030 2.052 0.743 0.566 1.000 0.600 CB 1.485 31 residues pruned to eliminate duplicates Z: 50 29.929 2.014 0.729 0.520 0.878 0.551 CB 1.371 50 residues pruned to eliminate duplicates Z: 31 32.022 2.043 0.820 0.550 1.000 0.600 CB 1.497 31 residues pruned to eliminate duplicates Z: 49 31.646 2.011 0.701 0.518 0.917 0.562 CB 1.431 49 residues pruned to eliminate duplicates Z: 29 27.133 2.038 0.653 0.601 0.964 0.643 CB 1.432 29 residues pruned to eliminate duplicates Z: 30 29.330 2.050 0.699 0.618 0.931 0.690 CB 1.502 30 residues pruned to eliminate duplicates Z: 30 26.242 2.010 0.646 0.555 0.966 0.414 CB 1.446 30 residues pruned to eliminate duplicates Z: 31 25.600 2.010 0.755 0.560 0.900 0.600 CB 1.389 31 residues pruned to eliminate duplicates Z: 52 30.699 2.026 0.674 0.506 0.922 0.569 CB 1.367 52 residues pruned to eliminate duplicates Z: 30 23.124 2.052 0.725 0.594 0.862 0.621 CB 1.286 30 residues pruned to eliminate duplicates Z: 46 25.045 1.958 0.653 0.499 0.889 0.578 CB 1.299 46 residues pruned to eliminate duplicates Z: 52 31.771 2.011 0.685 0.536 0.941 0.647 CB 1.346 52 residues pruned to eliminate duplicates Z: 35 27.761 2.084 0.763 0.586 0.912 0.588 CB 1.309 35 residues pruned to eliminate duplicates Z: 29 31.966 2.077 0.759 0.597 1.000 0.714 CB 1.507 29 residues pruned to eliminate duplicates Z: 51 33.244 2.021 0.770 0.520 0.940 0.520 CB 1.371 51 residues pruned to eliminate duplicates Z: 29 30.801 2.023 0.855 0.595 0.964 0.679 CB 1.469 29 residues pruned to eliminate duplicates Z: 29 28.114 1.997 0.904 0.605 0.964 0.607 CB 1.312 29 residues pruned to eliminate duplicates Z: 31 30.195 2.028 0.843 0.585 0.933 0.433 CB 1.456 31 residues pruned to eliminate duplicates Z: 30 23.939 1.976 0.781 0.576 0.966 0.483 CB 1.216 30 residues pruned to eliminate duplicates Z: 74 27.344 1.954 0.522 0.483 0.877 0.521 CB 1.249 74 residues pruned to eliminate duplicates Z: 51 30.284 2.023 0.733 0.517 0.900 0.480 CB 1.334 51 residues pruned to eliminate duplicates Z: 52 27.795 1.965 0.601 0.529 0.941 0.529 CB 1.278 52 residues pruned to eliminate duplicates Z: 52 22.124 1.950 0.520 0.501 0.843 0.549 CB 1.239 52 residues pruned to eliminate duplicates Z: 31 30.280 2.049 0.825 0.560 0.967 0.567 CB 1.443 31 residues pruned to eliminate duplicates Z: 51 31.817 2.017 0.707 0.546 0.940 0.560 CB 1.329 51 residues pruned to eliminate duplicates Z: 65 28.434 1.913 0.564 0.522 0.891 0.531 CB 1.305 65 residues pruned to eliminate duplicates Z: 39 24.920 1.878 0.669 0.499 0.921 0.632 CB 1.402 39 residues pruned to eliminate duplicates Z: 16 11.985 1.595 0.718 0.545 0.933 0.600 CB 1.158 16 residues pruned to eliminate duplicates Z: 12 14.351 1.803 0.549 0.738 0.909 0.818 CB 1.377 12 residues pruned to eliminate duplicates Z: 10 7.327 1.542 0.494 0.573 0.889 0.778 N 1.112 10 residues pruned to eliminate duplicates Z: 20 14.452 1.772 0.276 0.645 0.947 0.684 CB 1.353 20 residues pruned to eliminate duplicates Z: 14 18.440 1.807 0.667 0.883 1.000 0.846 CB 1.228 14 residues pruned to eliminate duplicates Z: 24 13.297 1.758 0.537 0.494 0.870 0.478 CB 1.187 24 residues pruned to eliminate duplicates Z: 19 13.158 1.677 0.529 0.808 1.000 0.500 CB 0.925 19 residues pruned to eliminate duplicates Z: 21 10.667 1.681 0.310 0.544 0.950 0.550 CB 1.091 21 residues pruned to eliminate duplicates Z: 31 15.883 1.778 0.579 0.576 0.833 0.467 CB 1.152 31 residues pruned to eliminate duplicates Z: 18 16.749 1.783 0.776 0.871 1.000 0.529 CB 0.935 18 residues pruned to eliminate duplicates Z: 27 13.793 1.724 0.668 0.568 0.885 0.538 CB 0.995 27 residues pruned to eliminate duplicates Z: 30 15.479 1.749 0.551 0.575 0.897 0.310 CB 1.100 30 residues pruned to eliminate duplicates Z: 16 16.559 1.753 0.892 0.742 1.000 0.467 CB 1.038 16 residues pruned to eliminate duplicates Z: 26 12.347 1.776 0.431 0.484 0.840 0.400 CB 1.175 25 residues pruned to eliminate duplicates Z: 22 21.292 1.712 0.741 0.894 1.000 0.524 CB 1.118 22 residues pruned to eliminate duplicates Z: 14 6.643 1.755 0.510 0.332 0.692 0.462 CB 1.206 14 residues pruned to eliminate duplicates Z: 22 10.976 1.746 0.567 0.495 0.714 0.143 CB 1.232 22 residues pruned to eliminate duplicates Z: 7 6.236 1.840 0.311 0.355 0.833 0.333 CB 1.482 7 residues pruned to eliminate duplicates Z: 7 6.023 1.854 0.351 0.324 0.833 0.167 CB 1.430 7 residues pruned to eliminate duplicates Z: 16 9.028 1.715 0.450 0.535 0.867 0.400 CB 1.045 16 residues pruned to eliminate duplicates Z: 13 7.405 1.801 0.332 0.396 0.833 0.583 CB 1.192 13 residues pruned to eliminate duplicates Z: 14 7.328 1.778 0.438 0.439 0.615 0.462 CB 1.375 14 residues pruned to eliminate duplicates Z: 21 9.570 1.770 0.389 0.397 0.850 0.400 CB 1.142 21 residues pruned to eliminate duplicates Z: 12 6.705 1.777 0.365 0.425 0.727 0.545 CB 1.239 12 residues pruned to eliminate duplicates Z: 13 7.757 1.740 0.540 0.312 0.833 0.417 CB 1.235 13 residues pruned to eliminate duplicates Z: 13 7.301 1.746 0.442 0.326 0.833 0.500 CB 1.215 13 residues pruned to eliminate duplicates Z: 17 6.487 1.749 0.177 0.319 0.812 0.375 CB 1.183 17 residues pruned to eliminate duplicates Z: 23 9.977 1.742 0.408 0.354 0.864 0.273 CB 1.176 23 residues pruned to eliminate duplicates Z: 33 20.991 1.782 0.499 0.605 0.906 0.688 CA 1.387 33 residues pruned to eliminate duplicates Z: 44 26.545 1.914 0.436 0.648 0.930 0.674 CB 1.379 50 residues pruned to eliminate duplicates Z: 18 17.950 1.875 0.292 0.769 1.000 0.765 CB 1.416 18 residues pruned to eliminate duplicates Z: 11 8.892 1.714 0.564 0.477 0.900 0.600 CB 1.193 10 residues pruned to eliminate duplicates Z: 16 22.426 1.892 0.457 0.886 1.000 0.867 CA 1.517 17 residues pruned to eliminate duplicates Z: 17 20.919 1.889 0.545 0.826 0.938 0.562 CB 1.442 17 residues pruned to eliminate duplicates Z: 27 26.308 1.928 0.467 0.713 0.962 0.538 CB 1.563 27 residues pruned to eliminate duplicates Z: 17 14.858 1.811 0.532 0.641 0.875 0.500 CB 1.341 17 residues pruned to eliminate duplicates Z: 28 16.662 1.874 0.506 0.560 0.778 0.481 CB 1.378 28 residues pruned to eliminate duplicates Z: 21 23.803 1.873 0.735 0.675 0.950 0.450 CB 1.467 18 residues pruned to eliminate duplicates Z: 16 22.340 1.924 0.498 0.853 1.000 0.600 CB 1.480 16 residues pruned to eliminate duplicates Z: 26 27.696 1.936 0.659 0.692 0.960 0.680 CB 1.507 26 residues pruned to eliminate duplicates Z: 28 21.479 1.867 0.478 0.657 0.926 0.519 CB 1.398 28 residues pruned to eliminate duplicates Z: 20 21.320 1.928 0.583 0.711 0.895 0.737 CB 1.479 20 residues pruned to eliminate duplicates Z: 29 22.305 1.884 0.525 0.600 0.893 0.357 CB 1.495 29 residues pruned to eliminate duplicates Z: 19 21.251 1.908 0.681 0.714 0.889 0.444 CB 1.447 19 residues pruned to eliminate duplicates Z: 29 28.537 1.860 0.743 0.661 0.964 0.536 CB 1.486 29 residues pruned to eliminate duplicates Z: 28 29.721 1.913 0.708 0.660 1.000 0.481 CB 1.509 28 residues pruned to eliminate duplicates Z: 29 19.869 1.869 0.526 0.618 0.821 0.607 CB 1.433 29 residues pruned to eliminate duplicates Z: 30 25.069 1.856 0.545 0.663 0.966 0.621 CB 1.447 30 residues pruned to eliminate duplicates Z: 28 23.517 1.913 0.407 0.651 0.963 0.704 CB 1.518 28 residues pruned to eliminate duplicates Z: 29 23.884 1.872 0.536 0.666 0.893 0.679 CB 1.509 29 residues pruned to eliminate duplicates Z: 29 21.009 1.813 0.612 0.637 0.821 0.607 CB 1.455 29 residues pruned to eliminate duplicates Z: 29 25.736 1.908 0.458 0.660 0.964 0.679 CB 1.563 29 residues pruned to eliminate duplicates Z: 29 20.062 1.890 0.568 0.611 0.786 0.571 CB 1.465 29 residues pruned to eliminate duplicates Z: 29 22.981 1.849 0.508 0.657 0.893 0.643 CB 1.508 29 residues pruned to eliminate duplicates Z: 28 27.539 1.910 0.640 0.661 0.926 0.481 CA 1.574 28 residues pruned to eliminate duplicates Z: 82 59.304 2.271 0.727 0.624 0.914 0.691 CB 1.637 82 residues pruned to eliminate duplicates Z: 81 50.130 2.176 0.691 0.536 0.913 0.637 CB 1.611 81 residues pruned to eliminate duplicates Z: 75 53.246 2.209 0.688 0.615 0.946 0.703 CB 1.574 75 residues pruned to eliminate duplicates Z: 83 55.393 2.249 0.657 0.606 0.915 0.695 CB 1.623 83 residues pruned to eliminate duplicates Z: 62 63.019 2.358 0.831 0.650 0.934 0.656 CB 1.739 24 residues pruned to eliminate duplicates Z: 20 24.953 2.209 0.329 0.774 1.000 0.684 CA 1.530 20 residues pruned to eliminate duplicates Z: 17 25.563 2.346 0.895 0.610 0.938 0.688 CB 1.381 17 residues pruned to eliminate duplicates Z: 47 66.979 2.289 1.021 0.779 0.957 0.826 CA 1.745 46 residues pruned to eliminate duplicates Z: 14 37.343 2.290 1.208 0.906 1.000 0.923 CA 1.457 14 residues pruned to eliminate duplicates Z: 43 56.364 2.335 1.067 0.745 0.881 0.786 CB 1.643 43 residues pruned to eliminate duplicates Z: 46 57.902 2.324 0.815 0.772 0.933 0.800 CB 1.723 46 residues pruned to eliminate duplicates Z: 41 63.841 2.397 0.968 0.792 0.975 0.800 CB 1.698 41 residues pruned to eliminate duplicates Z: 53 51.460 2.177 0.897 0.695 0.885 0.712 CB 1.634 53 residues pruned to eliminate duplicates Z: 55 62.018 2.295 0.928 0.739 0.944 0.741 CB 1.631 55 residues pruned to eliminate duplicates Z: 42 63.480 2.364 1.074 0.826 0.878 0.805 CA 1.737 42 residues pruned to eliminate duplicates Z: 47 63.731 2.275 0.931 0.811 0.957 0.804 CB 1.705 47 residues pruned to eliminate duplicates Z: 48 65.012 2.265 1.188 0.729 0.957 0.681 CB 1.626 48 residues pruned to eliminate duplicates Z: 52 57.197 2.264 0.870 0.744 0.941 0.784 CA 1.616 52 residues pruned to eliminate duplicates Z: 38 59.963 2.420 1.108 0.725 0.973 0.730 CB 1.621 38 residues pruned to eliminate duplicates Z: 42 44.788 2.201 0.778 0.757 0.902 0.829 CB 1.575 42 residues pruned to eliminate duplicates Z: 41 70.066 2.417 1.094 0.785 0.975 0.775 CA 1.746 41 residues pruned to eliminate duplicates Z: 36 52.108 2.398 0.930 0.777 0.914 0.714 CB 1.630 36 residues pruned to eliminate duplicates Z: 37 55.374 2.307 1.172 0.759 0.917 0.750 CB 1.596 37 residues pruned to eliminate duplicates Z: 44 56.216 2.298 1.025 0.716 0.930 0.721 CB 1.629 44 residues pruned to eliminate duplicates Z: 47 64.199 2.326 0.982 0.767 0.935 0.696 CB 1.734 47 residues pruned to eliminate duplicates Z: 50 51.955 2.268 0.735 0.729 0.918 0.694 CA 1.671 50 residues pruned to eliminate duplicates Z: 56 59.317 2.279 0.813 0.750 0.964 0.764 CB 1.607 56 residues pruned to eliminate duplicates Z: 45 66.733 2.334 1.092 0.795 0.932 0.659 CB 1.708 45 residues pruned to eliminate duplicates Z: 40 63.828 2.374 1.081 0.799 0.923 0.692 CB 1.725 40 residues pruned to eliminate duplicates Z: 58 62.223 2.230 1.001 0.716 0.947 0.719 CB 1.603 58 residues pruned to eliminate duplicates Z: 44 43.873 2.129 0.777 0.717 0.930 0.791 CB 1.562 32 residues pruned to eliminate duplicates Z: 27 51.743 2.198 1.092 0.909 0.962 0.846 CA 1.628 27 residues pruned to eliminate duplicates Z: 44 69.079 2.327 1.190 0.779 0.953 0.698 CB 1.695 44 residues pruned to eliminate duplicates Z: 62 63.575 2.317 1.022 0.624 0.934 0.508 CB 1.654 62 residues pruned to eliminate duplicates Z: 75 51.482 2.255 0.588 0.607 0.946 0.662 CB 1.596 75 residues pruned to eliminate duplicates Z: 45 64.866 2.320 1.097 0.795 0.932 0.659 CB 1.666 45 residues pruned to eliminate duplicates Z: 91 58.579 2.234 0.779 0.591 0.900 0.589 CB 1.582 91 residues pruned to eliminate duplicates Z: 62 71.648 2.319 1.121 0.680 0.918 0.475 CB 1.722 62 residues pruned to eliminate duplicates Z: 76 52.125 2.221 0.603 0.591 0.933 0.693 CA 1.660 76 residues pruned to eliminate duplicates Z: 49 59.779 2.267 1.057 0.756 0.917 0.500 CB 1.607 49 residues pruned to eliminate duplicates Z: 45 73.361 2.340 1.352 0.792 0.955 0.659 CB 1.629 45 residues pruned to eliminate duplicates Z: 56 59.197 2.185 1.065 0.679 0.982 0.345 CB 1.528 56 residues pruned to eliminate duplicates Z: 96 60.336 2.217 0.851 0.598 0.926 0.526 CB 1.483 98 residues pruned to eliminate duplicates Z: 54 55.272 2.259 0.859 0.745 0.906 0.585 CB 1.604 54 residues pruned to eliminate duplicates Z: 33 27.488 1.921 0.735 0.651 0.844 0.406 CA 1.501 33 residues pruned to eliminate duplicates Z: 51 60.442 2.230 1.192 0.733 0.920 0.440 CB 1.541 51 residues pruned to eliminate duplicates Z: 56 62.472 2.290 1.055 0.732 0.927 0.491 CB 1.566 56 residues pruned to eliminate duplicates Z: 73 54.724 2.297 0.647 0.621 0.903 0.681 CB 1.684 73 residues pruned to eliminate duplicates Z: 56 37.865 2.088 0.624 0.547 0.945 0.600 CB 1.521 56 residues pruned to eliminate duplicates Z: 52 56.842 2.258 1.057 0.685 0.882 0.569 CB 1.639 52 residues pruned to eliminate duplicates Z: 12 7.158 1.882 -0.088 0.467 0.909 0.455 CB 1.429 12 residues pruned to eliminate duplicates Z: 11 8.531 1.920 0.141 0.494 0.800 0.700 CA 1.548 11 residues pruned to eliminate duplicates Z: 62 41.055 2.089 0.767 0.620 0.902 0.426 CB 1.410 62 residues pruned to eliminate duplicates Z: 14 9.386 1.868 0.198 0.427 0.923 0.615 CB 1.359 14 residues pruned to eliminate duplicates Z: 73 56.261 2.242 0.964 0.599 0.889 0.333 CB 1.541 73 residues pruned to eliminate duplicates Z: 76 57.529 2.254 0.674 0.655 0.920 0.667 CB 1.657 76 residues pruned to eliminate duplicates Z: 63 36.885 2.123 0.912 0.485 0.839 0.339 CB 1.397 63 residues pruned to eliminate duplicates Z: 22 15.319 2.010 0.508 0.286 0.857 0.429 CB 1.637 22 residues pruned to eliminate duplicates Z: 23 15.480 2.212 0.498 0.291 0.818 0.409 CB 1.538 23 residues pruned to eliminate duplicates Z: 51 23.312 2.064 0.513 0.435 0.860 0.500 CB 1.312 51 residues pruned to eliminate duplicates Z: 41 22.383 2.070 0.502 0.445 0.850 0.600 CB 1.417 41 residues pruned to eliminate duplicates Z: 97 53.477 2.170 0.598 0.597 0.917 0.646 CB 1.565 97 residues pruned to eliminate duplicates Z: 88 49.172 2.205 0.610 0.563 0.885 0.644 CB 1.578 88 residues pruned to eliminate duplicates Z: 97 57.515 2.218 0.662 0.575 0.948 0.625 CB 1.562 97 residues pruned to eliminate duplicates Z: 99 48.437 2.179 0.685 0.553 0.888 0.551 CB 1.426 99 residues pruned to eliminate duplicates Z: 93 56.285 2.235 0.784 0.593 0.902 0.543 CB 1.493 93 residues pruned to eliminate duplicates Z: 45 25.438 2.130 0.612 0.415 0.841 0.545 CB 1.452 45 residues pruned to eliminate duplicates Z: 81 52.762 2.238 0.749 0.590 0.913 0.600 CB 1.516 81 residues pruned to eliminate duplicates Z: 26 19.532 2.134 0.640 0.427 0.840 0.400 CB 1.434 22 residues pruned to eliminate duplicates Z: 12 25.768 2.100 0.989 0.716 1.000 0.545 CA 1.530 12 residues pruned to eliminate duplicates Z: 10 24.447 2.092 0.941 0.682 1.000 0.778 CA 1.698 10 residues pruned to eliminate duplicates Z: 26 27.893 2.256 0.860 0.563 0.920 0.480 CB 1.360 28 residues pruned to eliminate duplicates Z: 9 26.032 2.182 0.893 0.825 1.000 0.750 CA 1.682 9 residues pruned to eliminate duplicates Z: 29 25.613 2.186 0.853 0.516 0.893 0.571 CB 1.318 29 residues pruned to eliminate duplicates Z: 8 30.445 2.331 1.147 0.886 1.000 0.571 CB 1.658 8 residues pruned to eliminate duplicates Z: 25 26.917 2.279 0.862 0.565 0.917 0.625 CB 1.326 25 residues pruned to eliminate duplicates Z: 21 29.937 2.254 1.003 0.573 0.900 0.550 CB 1.535 21 residues pruned to eliminate duplicates Z: 25 29.709 2.224 0.959 0.585 0.958 0.417 CB 1.339 25 residues pruned to eliminate duplicates Z: 34 26.569 2.088 0.771 0.539 0.879 0.576 CB 1.370 34 residues pruned to eliminate duplicates Z: 29 22.057 2.179 0.751 0.479 0.857 0.536 CB 1.302 29 residues pruned to eliminate duplicates Z: 20 28.134 2.329 0.769 0.519 0.947 0.684 CB 1.624 20 residues pruned to eliminate duplicates Z: 25 26.243 2.249 0.812 0.548 0.917 0.708 CB 1.368 25 residues pruned to eliminate duplicates Z: 22 24.433 2.245 0.792 0.490 0.905 0.667 CB 1.480 22 residues pruned to eliminate duplicates Z: 25 31.087 2.284 0.893 0.598 0.958 0.667 CB 1.395 26 residues pruned to eliminate duplicates Z: 11 12.236 1.832 0.863 0.583 0.900 0.500 CB 1.163 10 residues pruned to eliminate duplicates Z: 8 7.421 2.085 0.420 0.681 1.000 0.571 CB 0.802 8 residues pruned to eliminate duplicates Z: 52 29.397 2.090 0.738 0.509 0.902 0.529 CB 1.244 49 residues pruned to eliminate duplicates Z: 8 11.185 1.836 0.572 0.787 1.000 0.571 CB 1.138 8 residues pruned to eliminate duplicates Z: 27 29.373 2.205 0.891 0.557 0.962 0.577 CB 1.360 27 residues pruned to eliminate duplicates Z: 27 27.903 2.194 0.809 0.553 0.923 0.615 CB 1.419 27 residues pruned to eliminate duplicates Z: 35 26.363 2.059 0.937 0.475 0.882 0.441 CB 1.318 35 residues pruned to eliminate duplicates Z: 26 28.138 2.210 0.838 0.582 0.920 0.640 CB 1.391 26 residues pruned to eliminate duplicates Z: 17 22.136 1.969 0.859 0.582 1.000 0.750 CB 1.397 17 residues pruned to eliminate duplicates Z: 9 11.622 1.988 0.820 0.575 0.750 0.375 CB 1.408 9 residues pruned to eliminate duplicates Z: 10 6.572 2.013 0.588 0.516 0.556 0.556 CB 1.214 10 residues pruned to eliminate duplicates Z: 8 10.831 1.994 0.276 0.884 1.000 0.857 CB 1.163 8 residues pruned to eliminate duplicates Z: 10 9.759 1.812 0.295 0.705 1.000 0.778 CB 1.151 10 residues pruned to eliminate duplicates Z: 9 10.731 1.941 0.205 0.779 1.000 0.875 CB 1.268 14 residues pruned to eliminate duplicates Z: 10 12.457 1.833 0.334 0.863 1.000 0.778 CB 1.246 10 residues pruned to eliminate duplicates Z: 10 8.906 1.857 0.517 0.608 0.889 0.778 CB 1.070 10 residues pruned to eliminate duplicates Z: 9 8.358 1.928 0.369 0.713 0.875 0.750 CB 1.055 9 residues pruned to eliminate duplicates Z: 61 26.040 2.111 0.471 0.422 0.833 0.533 CB 1.409 61 residues pruned to eliminate duplicates Z: 9 8.561 1.921 0.283 0.642 0.875 0.625 CB 1.229 9 residues pruned to eliminate duplicates Z: 53 25.658 2.141 0.478 0.452 0.865 0.596 CB 1.364 53 residues pruned to eliminate duplicates Z: 29 24.084 2.111 0.572 0.579 0.893 0.429 CB 1.423 29 residues pruned to eliminate duplicates Z: 84 47.257 2.190 0.686 0.525 0.904 0.614 CB 1.517 84 residues pruned to eliminate duplicates Z: 89 51.476 2.156 0.744 0.555 0.909 0.511 CB 1.522 89 residues pruned to eliminate duplicates Z: 56 27.361 2.156 0.595 0.391 0.855 0.455 CB 1.409 56 residues pruned to eliminate duplicates Z: 58 31.656 2.172 0.626 0.422 0.860 0.526 CB 1.499 58 residues pruned to eliminate duplicates Z: 17 19.656 2.168 0.566 0.570 0.875 0.562 CB 1.546 17 residues pruned to eliminate duplicates Z: 20 24.211 2.206 0.514 0.599 0.947 0.684 CB 1.598 20 residues pruned to eliminate duplicates Z: 50 29.233 2.147 0.533 0.467 0.898 0.429 CB 1.461 50 residues pruned to eliminate duplicates Z: 74 43.611 2.247 0.658 0.497 0.890 0.575 CB 1.543 74 residues pruned to eliminate duplicates Z: 83 52.014 2.200 0.772 0.564 0.878 0.622 CB 1.577 83 residues pruned to eliminate duplicates Z: 50 30.758 2.196 0.615 0.406 0.898 0.429 CB 1.522 50 residues pruned to eliminate duplicates Z: 40 29.099 2.243 0.688 0.396 0.872 0.410 CB 1.575 40 residues pruned to eliminate duplicates Z: 30 25.643 2.117 0.499 0.620 0.931 0.517 CB 1.439 30 residues pruned to eliminate duplicates Z: 64 31.794 2.128 0.712 0.403 0.857 0.508 CB 1.422 64 residues pruned to eliminate duplicates Z: 82 52.811 2.240 0.818 0.528 0.889 0.506 CB 1.576 82 residues pruned to eliminate duplicates Z: 81 55.720 2.252 0.814 0.545 0.913 0.613 CB 1.599 81 residues pruned to eliminate duplicates Z: 89 48.189 2.168 0.717 0.512 0.932 0.625 CB 1.463 89 residues pruned to eliminate duplicates Z: 86 43.610 2.168 0.593 0.496 0.918 0.565 CB 1.498 87 residues pruned to eliminate duplicates Z: 8 14.319 1.850 0.903 0.561 1.000 0.286 CB 1.449 8 residues pruned to eliminate duplicates Z: 89 50.970 2.174 0.727 0.545 0.920 0.568 CB 1.504 89 residues pruned to eliminate duplicates Z: 69 48.623 2.179 0.784 0.536 0.926 0.721 CB 1.580 69 residues pruned to eliminate duplicates Z: 88 48.274 2.169 0.710 0.516 0.897 0.552 CB 1.532 88 residues pruned to eliminate duplicates Z: 29 26.597 2.212 0.880 0.319 0.929 0.464 CB 1.590 29 residues pruned to eliminate duplicates Z: 33 28.108 2.151 0.880 0.344 0.906 0.438 CA 1.607 33 residues pruned to eliminate duplicates Z: 68 46.134 2.226 0.718 0.522 0.896 0.627 CB 1.610 68 residues pruned to eliminate duplicates Z: 64 45.541 2.199 0.826 0.526 0.905 0.683 CB 1.539 64 residues pruned to eliminate duplicates Z: 84 50.891 2.204 0.735 0.548 0.904 0.627 CB 1.542 84 residues pruned to eliminate duplicates Z: 22 15.067 1.924 0.626 0.336 0.905 0.524 CB 1.389 22 residues pruned to eliminate duplicates Z: 60 51.836 2.257 0.827 0.553 0.966 0.712 CB 1.608 60 residues pruned to eliminate duplicates Z: 30 20.977 2.169 0.679 0.313 0.862 0.379 CB 1.526 30 residues pruned to eliminate duplicates Z: 42 29.212 2.217 0.681 0.425 0.829 0.512 CB 1.595 42 residues pruned to eliminate duplicates Z: 63 46.181 2.217 0.722 0.511 0.968 0.613 CB 1.570 63 residues pruned to eliminate duplicates Z: 61 50.902 2.270 0.771 0.560 0.950 0.633 CB 1.623 61 residues pruned to eliminate duplicates Z: 61 49.793 2.242 0.796 0.561 0.933 0.617 CA 1.612 61 residues pruned to eliminate duplicates Z: 64 41.440 2.229 0.759 0.480 0.857 0.619 CB 1.586 64 residues pruned to eliminate duplicates Z: 50 23.523 2.018 0.750 0.321 0.816 0.449 CB 1.419 50 residues pruned to eliminate duplicates Z: 16 11.612 2.060 0.307 0.336 1.000 0.533 CB 1.332 16 residues pruned to eliminate duplicates Z: 60 48.722 2.267 0.839 0.529 0.915 0.627 CA 1.616 60 residues pruned to eliminate duplicates Z: 25 21.949 2.202 0.957 0.432 0.833 0.542 CB 1.339 25 residues pruned to eliminate duplicates Z: 37 37.663 2.156 0.808 0.645 0.972 0.667 CB 1.447 37 residues pruned to eliminate duplicates Z: 89 56.176 2.213 0.712 0.567 0.943 0.636 CB 1.571 89 residues pruned to eliminate duplicates Z: 7 14.512 2.096 0.728 0.723 1.000 0.667 CA 1.338 7 residues pruned to eliminate duplicates Z: 93 53.338 2.176 0.807 0.527 0.891 0.587 CB 1.546 192 residues pruned to eliminate duplicates Z: 40 46.690 2.230 0.914 0.690 0.897 0.692 CB 1.640 Z: 19 30.054 2.248 0.634 0.713 0.944 0.611 CA 1.683 19 residues pruned to eliminate duplicates Z: 37 46.837 2.248 0.992 0.695 0.889 0.611 CA 1.641 38 residues pruned to eliminate duplicates Z: 13 26.492 2.191 0.937 0.853 0.833 0.667 CB 1.598 13 residues pruned to eliminate duplicates Z: 41 40.544 2.126 0.849 0.680 0.875 0.700 CB 1.579 41 residues pruned to eliminate duplicates Z: 67 51.379 2.208 0.888 0.548 0.894 0.591 CB 1.620 39 residues pruned to eliminate duplicates Z: 13 30.089 2.234 0.781 0.877 1.000 0.750 CA 1.586 13 residues pruned to eliminate duplicates Z: 38 36.166 2.229 0.680 0.717 0.838 0.784 CB 1.557 38 residues pruned to eliminate duplicates Z: 39 48.666 2.267 0.805 0.718 0.947 0.711 CB 1.671 39 residues pruned to eliminate duplicates Z: 41 38.577 2.106 0.810 0.634 0.925 0.550 CB 1.526 41 residues pruned to eliminate duplicates Z: 33 51.366 2.267 0.997 0.745 0.969 0.688 CB 1.663 33 residues pruned to eliminate duplicates Z: 34 46.135 2.239 0.955 0.748 0.909 0.758 CB 1.617 34 residues pruned to eliminate duplicates Z: 34 50.422 2.281 1.029 0.734 0.939 0.727 CB 1.636 34 residues pruned to eliminate duplicates Z: 42 49.529 2.207 1.003 0.685 0.927 0.610 CA 1.594 42 residues pruned to eliminate duplicates Z: 45 40.058 2.110 0.901 0.593 0.886 0.591 CB 1.554 45 residues pruned to eliminate duplicates Z: 38 45.167 2.192 1.021 0.710 0.865 0.568 CB 1.601 38 residues pruned to eliminate duplicates Z: 72 44.318 2.123 0.799 0.519 0.901 0.549 CB 1.500 72 residues pruned to eliminate duplicates Z: 40 39.838 2.145 0.772 0.642 0.897 0.667 CB 1.637 40 residues pruned to eliminate duplicates Z: 41 51.901 2.248 1.034 0.693 0.950 0.700 CB 1.583 47 residues pruned to eliminate duplicates Z: 23 30.423 2.045 0.595 0.885 0.955 0.909 CB 1.504 23 residues pruned to eliminate duplicates Z: 32 51.804 2.318 1.055 0.792 0.903 0.742 CB 1.674 32 residues pruned to eliminate duplicates Z: 38 46.432 2.269 0.997 0.694 0.892 0.568 CB 1.582 38 residues pruned to eliminate duplicates Z: 39 44.905 2.235 0.987 0.729 0.868 0.579 CB 1.537 39 residues pruned to eliminate duplicates Z: 38 48.767 2.229 0.960 0.776 0.892 0.703 CB 1.612 32 residues pruned to eliminate duplicates Z: 29 39.799 1.988 0.896 0.919 1.000 0.857 CB 1.406 26 residues pruned to eliminate duplicates Z: 25 29.880 1.961 0.740 0.875 0.958 0.917 CB 1.356 25 residues pruned to eliminate duplicates Z: 32 53.392 2.301 1.080 0.795 0.968 0.548 CB 1.599 32 residues pruned to eliminate duplicates Z: 34 53.953 2.288 1.132 0.767 0.970 0.636 CB 1.567 34 residues pruned to eliminate duplicates Z: 47 54.958 2.171 0.958 0.783 0.935 0.696 CB 1.589 47 residues pruned to eliminate duplicates Z: 29 35.435 2.012 0.656 0.926 1.000 0.750 CB 1.410 29 residues pruned to eliminate duplicates Z: 46 51.195 2.142 1.055 0.717 0.933 0.622 CB 1.527 46 residues pruned to eliminate duplicates Z: 43 45.981 2.202 1.054 0.722 0.857 0.571 CB 1.498 43 residues pruned to eliminate duplicates Z: 98 58.632 2.169 0.746 0.611 0.938 0.588 CB 1.508 69 residues pruned to eliminate duplicates Z: 26 34.530 1.976 0.932 0.862 0.920 0.600 CB 1.443 26 residues pruned to eliminate duplicates Z: 45 49.942 2.147 1.046 0.718 0.909 0.591 CB 1.548 45 residues pruned to eliminate duplicates Z: 88 52.163 2.153 0.829 0.576 0.874 0.506 CB 1.510 88 residues pruned to eliminate duplicates Z: 43 56.286 2.188 0.978 0.806 0.952 0.643 CB 1.613 43 residues pruned to eliminate duplicates Z: 32 38.599 2.018 0.899 0.825 0.968 0.613 CB 1.410 32 residues pruned to eliminate duplicates Z: 28 26.230 1.978 0.814 0.870 0.852 0.519 CB 1.205 29 residues pruned to eliminate duplicates Z: 27 41.737 2.124 0.917 0.912 0.962 0.615 CB 1.480 27 residues pruned to eliminate duplicates Z: 19 15.054 2.050 0.729 0.535 0.778 0.556 CB 1.244 17 residues pruned to eliminate duplicates Z: 9 16.157 2.117 0.539 0.811 0.875 0.750 CB 1.529 9 residues pruned to eliminate duplicates Z: 20 22.025 2.108 0.933 0.550 0.895 0.421 CB 1.320 18 residues pruned to eliminate duplicates Z: 8 13.463 2.195 0.509 0.731 0.714 0.571 CA 1.747 8 residues pruned to eliminate duplicates Z: 21 21.823 2.083 0.891 0.579 0.900 0.650 CB 1.275 20 residues pruned to eliminate duplicates Z: 9 19.242 2.187 0.649 0.759 0.875 0.500 CB 1.712 9 residues pruned to eliminate duplicates Z: 26 21.764 2.044 0.874 0.559 0.880 0.560 CB 1.220 37 residues pruned to eliminate duplicates Z: 15 22.432 2.265 0.839 0.644 0.857 0.429 CB 1.468 15 residues pruned to eliminate duplicates Z: 18 18.704 2.073 0.767 0.614 0.824 0.412 CB 1.350 18 residues pruned to eliminate duplicates Z: 20 18.096 2.047 0.757 0.478 0.895 0.474 CB 1.318 20 residues pruned to eliminate duplicates Z: 19 17.691 2.116 0.813 0.485 0.778 0.389 CB 1.419 19 residues pruned to eliminate duplicates Z: 19 20.800 2.123 0.774 0.535 0.889 0.556 CB 1.414 19 residues pruned to eliminate duplicates Z: 40 21.844 2.027 0.677 0.439 0.846 0.462 CB 1.295 40 residues pruned to eliminate duplicates Z: 25 18.590 2.085 0.866 0.539 0.875 0.542 CB 1.073 25 residues pruned to eliminate duplicates Z: 16 25.815 2.315 0.983 0.624 0.867 0.333 CB 1.490 16 residues pruned to eliminate duplicates Z: 48 22.280 2.042 0.629 0.465 0.851 0.532 CB 1.190 48 residues pruned to eliminate duplicates Z: 29 25.992 2.007 0.636 0.659 0.893 0.714 CB 1.446 29 residues pruned to eliminate duplicates Z: 29 25.969 2.013 0.627 0.644 0.929 0.536 CB 1.410 29 residues pruned to eliminate duplicates Z: 32 22.119 1.921 0.671 0.603 0.903 0.484 CB 1.242 32 residues pruned to eliminate duplicates Z: 14 19.169 1.857 0.694 0.770 0.923 0.538 CB 1.441 14 residues pruned to eliminate duplicates Z: 28 25.719 1.975 0.650 0.657 0.926 0.556 CB 1.417 40 residues pruned to eliminate duplicates Z: 29 26.132 2.011 0.672 0.630 0.929 0.571 CB 1.400 29 residues pruned to eliminate duplicates Z: 13 25.566 2.040 0.892 0.820 0.917 0.417 CB 1.580 Z: 11 30.740 2.009 1.063 0.903 1.000 0.600 CB 1.672 12 residues pruned to eliminate duplicates Z: 12 29.403 2.044 0.871 0.904 1.000 0.364 CB 1.651 12 residues pruned to eliminate duplicates Z: 10 29.485 2.180 0.982 0.919 1.000 0.778 CA 1.603 11 residues pruned to eliminate duplicates Z: 14 17.968 2.045 0.856 0.689 0.846 0.615 CB 1.306 14 residues pruned to eliminate duplicates Z: 26 24.743 2.079 0.742 0.640 0.880 0.480 CB 1.362 44 residues pruned to eliminate duplicates Z: 29 26.122 1.988 0.689 0.659 0.929 0.536 CB 1.365 29 residues pruned to eliminate duplicates Z: 38 23.424 1.864 0.585 0.548 0.892 0.595 CB 1.394 38 residues pruned to eliminate duplicates Z: 30 20.195 1.937 0.501 0.629 0.862 0.586 CB 1.326 30 residues pruned to eliminate duplicates Z: 26 23.240 2.028 0.744 0.689 0.800 0.560 CB 1.381 26 residues pruned to eliminate duplicates Z: 28 26.320 2.060 0.631 0.679 0.889 0.630 CB 1.438 28 residues pruned to eliminate duplicates Z: 28 28.328 2.078 0.732 0.666 0.889 0.519 CB 1.462 28 residues pruned to eliminate duplicates Z: 28 23.833 1.978 0.662 0.681 0.815 0.556 CB 1.450 28 residues pruned to eliminate duplicates Z: 29 26.003 2.008 0.680 0.639 0.893 0.607 CB 1.432 29 residues pruned to eliminate duplicates Z: 35 20.153 1.821 0.628 0.478 0.882 0.412 CB 1.351 32 residues pruned to eliminate duplicates Z: 11 16.409 1.995 0.441 0.890 1.000 0.600 CA 1.299 11 residues pruned to eliminate duplicates Z: 29 26.099 2.053 0.717 0.647 0.857 0.536 CB 1.423 29 residues pruned to eliminate duplicates Z: 13 11.256 1.930 0.365 0.622 0.833 0.500 CA 1.319 13 residues pruned to eliminate duplicates Z: 26 19.011 1.980 0.702 0.573 0.800 0.440 CB 1.314 26 residues pruned to eliminate duplicates Z: 24 19.489 1.890 0.854 0.563 0.826 0.565 CB 1.320 24 residues pruned to eliminate duplicates Z: 10 4.190 1.551 0.360 0.414 0.667 0.556 CB 1.087 10 residues pruned to eliminate duplicates Z: 7 3.271 1.309 0.428 0.452 0.833 0.667 O 0.901 7 residues pruned to eliminate duplicates Z: 31 18.554 1.891 0.740 0.487 0.800 0.533 CB 1.304 31 residues pruned to eliminate duplicates Z: 9 3.047 1.678 0.561 0.347 0.375 0.375 CB 1.295 9 residues pruned to eliminate duplicates Z: 9 4.501 1.562 0.328 0.457 0.875 0.500 CB 0.916 9 residues pruned to eliminate duplicates Z: 10 6.574 1.619 0.515 0.384 0.889 0.333 CB 1.137 9 residues pruned to eliminate duplicates Z: 6 4.129 1.257 0.839 0.414 1.000 0.800 O 0.874 6 residues pruned to eliminate duplicates Z: 11 8.003 1.878 0.553 0.319 1.000 0.400 CB 1.060 11 residues pruned to eliminate duplicates Z: 10 5.636 1.813 0.389 0.458 0.778 0.667 CB 1.001 10 residues pruned to eliminate duplicates Z: 17 27.719 2.049 0.739 0.866 1.000 0.812 CB 1.424 17 residues pruned to eliminate duplicates Z: 29 24.709 2.010 0.577 0.615 0.929 0.786 CB 1.424 29 residues pruned to eliminate duplicates Z: 40 26.688 1.983 0.412 0.599 0.949 0.692 CB 1.465 40 residues pruned to eliminate duplicates Z: 39 28.646 2.023 0.478 0.675 0.947 0.763 CB 1.397 39 residues pruned to eliminate duplicates Z: 27 28.190 2.013 0.721 0.705 0.962 0.808 CB 1.378 27 residues pruned to eliminate duplicates Z: 25 25.095 2.069 0.579 0.708 0.917 0.667 CB 1.416 25 residues pruned to eliminate duplicates Z: 28 22.469 2.027 0.455 0.578 0.963 0.667 CB 1.412 27 residues pruned to eliminate duplicates Z: 18 23.209 1.941 0.465 0.865 1.000 0.882 CB 1.450 19 residues pruned to eliminate duplicates Z: 17 24.329 2.014 0.559 0.920 0.875 0.812 CA 1.559 17 residues pruned to eliminate duplicates Z: 44 27.697 1.982 0.421 0.610 0.930 0.744 CB 1.453 44 residues pruned to eliminate duplicates Z: 27 24.812 2.045 0.383 0.682 1.000 0.808 CB 1.455 27 residues pruned to eliminate duplicates Z: 27 26.530 2.074 0.470 0.696 0.923 0.769 CB 1.545 27 residues pruned to eliminate duplicates Z: 39 28.931 2.000 0.435 0.664 0.947 0.737 CB 1.483 39 residues pruned to eliminate duplicates Z: 26 29.520 2.111 0.530 0.715 1.000 0.760 CB 1.504 26 residues pruned to eliminate duplicates Z: 24 23.469 2.072 0.318 0.695 1.000 0.696 CB 1.499 24 residues pruned to eliminate duplicates Z: 28 26.005 2.058 0.437 0.676 0.963 0.815 CB 1.494 28 residues pruned to eliminate duplicates Z: 27 25.636 2.065 0.446 0.677 0.962 0.808 CB 1.488 27 residues pruned to eliminate duplicates Z: 40 30.486 2.013 0.511 0.681 0.949 0.667 CB 1.431 40 residues pruned to eliminate duplicates Z: 39 29.689 2.007 0.459 0.669 0.921 0.763 CB 1.528 39 residues pruned to eliminate duplicates Z: 40 29.470 1.943 0.542 0.658 0.923 0.769 CB 1.473 40 residues pruned to eliminate duplicates Z: 38 29.120 2.014 0.397 0.675 0.946 0.811 CB 1.531 38 residues pruned to eliminate duplicates Z: 27 28.583 2.046 0.588 0.724 0.962 0.769 CB 1.465 28 residues pruned to eliminate duplicates Z: 6 3.364 1.394 0.767 0.357 0.800 0.800 CA 0.890 6 residues pruned to eliminate duplicates Z: 31 24.680 1.968 0.546 0.630 0.933 0.767 CB 1.405 31 residues pruned to eliminate duplicates Z: 28 30.016 2.055 0.616 0.696 0.963 0.778 CB 1.510 28 residues pruned to eliminate duplicates Z: 28 29.125 2.034 0.582 0.730 0.963 0.741 CB 1.471 28 residues pruned to eliminate duplicates Z: 28 29.177 2.008 0.574 0.742 0.963 0.778 CB 1.485 28 residues pruned to eliminate duplicates 1119 residues left after pruning, divided into chains as follows: A: 13 B: 9 C: 6 D: 6 E: 8 F: 18 G: 18 H: 15 I: 21 J: 52 K: 8 L: 17 M: 29 N: 38 O: 20 P: 11 Q: 20 R: 95 S: 126 T: 7 U: 13 V: 35 W: 47 X: 73 Y: 103 Z: 98 Z: 51 Z: 108 Z: 47 Z: 7 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 33.92 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.499, Connect. = 0.736 for dens.mod. cycle 1 = 0.300, Contrast = 0.567, Connect. = 0.755 for dens.mod. cycle 2 = 0.300, Contrast = 0.667, Connect. = 0.782 for dens.mod. cycle 3 = 0.300, Contrast = 0.669, Connect. = 0.782 for dens.mod. cycle 4 = 0.300, Contrast = 0.675, Connect. = 0.782 for dens.mod. cycle 5 = 0.300, Contrast = 0.676, Connect. = 0.783 for dens.mod. cycle 6 = 0.300, Contrast = 0.679, Connect. = 0.784 for dens.mod. cycle 7 = 0.300, Contrast = 0.680, Connect. = 0.785 for dens.mod. cycle 8 = 0.300, Contrast = 0.681, Connect. = 0.786 for dens.mod. cycle 9 = 0.300, Contrast = 0.681, Connect. = 0.786 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 7463 peaks > 0.5 sigma used to seed fragment search Space for about 1933 unique residues taking solvent into account 1664 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 37.473 2.246 1.122 0.902 1.000 0.923 CA 1.555 B: 14 33.940 2.201 0.923 0.935 1.000 0.846 CB 1.550 14 residues pruned to eliminate duplicates C: 31 52.114 2.257 0.755 0.935 1.000 0.800 CA 1.674 D: 13 38.004 2.335 0.932 0.916 1.000 0.917 CA 1.717 E: 19 32.701 2.075 0.862 0.855 0.944 0.778 CA 1.560 F: 14 41.448 2.172 1.102 0.894 1.000 0.769 CB 1.806 13 residues pruned to eliminate duplicates G: 11 30.466 2.249 0.708 0.871 1.000 0.900 N 1.830 H: 13 31.292 2.282 0.542 0.933 1.000 1.000 CA 1.791 13 residues pruned to eliminate duplicates I: 13 27.841 2.254 0.590 0.875 1.000 0.750 CA 1.630 13 residues pruned to eliminate duplicates J: 31 47.598 2.249 0.717 0.908 1.000 0.867 CA 1.598 31 residues pruned to eliminate duplicates K: 13 33.067 2.285 0.783 0.911 1.000 0.917 CB 1.660 13 residues pruned to eliminate duplicates L: 20 33.807 2.061 0.739 0.875 0.947 0.526 CB 1.661 M: 11 27.565 2.306 0.617 0.871 1.000 0.800 CA 1.705 12 residues pruned to eliminate duplicates N: 13 29.851 2.239 0.759 0.909 1.000 0.750 CA 1.552 14 residues pruned to eliminate duplicates O: 10 15.509 2.246 0.171 0.859 1.000 0.889 CA 1.447 10 residues pruned to eliminate duplicates P: 31 42.035 2.239 0.496 0.920 1.000 0.867 CA 1.612 31 residues pruned to eliminate duplicates Q: 8 20.901 2.113 0.871 0.816 1.000 0.714 CA 1.519 8 residues pruned to eliminate duplicates R: 16 25.896 2.097 0.597 0.921 0.867 0.867 CB 1.621 S: 11 17.615 2.230 0.174 0.819 1.000 0.900 CA 1.614 10 residues pruned to eliminate duplicates T: 12 18.274 1.965 0.604 0.810 0.909 0.727 CB 1.468 U: 15 31.807 2.076 0.911 0.874 1.000 0.857 CB 1.560 V: 28 36.267 1.978 0.782 0.913 1.000 0.815 CA 1.401 19 residues pruned to eliminate duplicates W: 31 47.860 2.238 0.719 0.919 1.000 0.867 CA 1.600 31 residues pruned to eliminate duplicates X: 18 18.501 2.272 0.439 0.409 0.882 0.529 CB 1.712 Y: 13 26.824 2.116 0.612 0.893 0.917 0.667 CB 1.778 Z: 23 44.577 2.263 0.883 0.887 1.000 0.818 CB 1.608 Z: 31 43.343 2.117 0.729 0.910 1.000 0.967 CA 1.533 24 residues pruned to eliminate duplicates Z: 12 35.984 2.312 0.838 0.879 1.000 0.818 CA 1.851 12 residues pruned to eliminate duplicates Z: 13 34.902 2.240 0.898 0.909 1.000 0.750 CA 1.681 13 residues pruned to eliminate duplicates Z: 11 21.341 2.191 0.415 0.870 1.000 0.800 CA 1.590 Z: 9 17.694 2.020 0.534 0.760 1.000 0.625 CB 1.603 Z: 14 32.886 2.294 0.954 0.870 1.000 0.615 CA 1.485 14 residues pruned to eliminate duplicates Z: 13 25.388 2.032 0.613 0.865 1.000 0.833 CA 1.638 12 residues pruned to eliminate duplicates Z: 8 13.655 1.944 0.563 0.844 1.000 0.857 CA 1.264 8 residues pruned to eliminate duplicates Z: 29 52.691 2.211 0.865 0.937 1.000 0.893 CA 1.681 30 residues pruned to eliminate duplicates Z: 7 19.023 2.166 0.834 0.834 1.000 0.833 N 1.465 7 residues pruned to eliminate duplicates Z: 13 26.047 2.036 1.251 0.825 0.917 0.583 CB 1.351 Z: 9 22.040 2.138 1.190 0.806 0.875 0.625 CB 1.456 Z: 7 10.257 1.829 0.774 0.738 1.000 0.833 CB 1.042 Z: 14 21.554 1.884 0.588 0.913 1.000 0.692 CB 1.414 14 residues pruned to eliminate duplicates Z: 22 37.371 2.225 0.747 0.910 0.905 0.810 CA 1.645 22 residues pruned to eliminate duplicates Z: 13 46.559 2.324 1.318 0.923 1.000 0.583 CA 1.753 14 residues pruned to eliminate duplicates Z: 9 19.278 2.124 0.434 0.798 1.000 0.625 CB 1.724 Z: 9 26.044 2.247 1.072 0.874 0.875 0.875 CA 1.645 9 residues pruned to eliminate duplicates Z: 31 42.140 2.087 0.740 0.938 1.000 0.867 CA 1.474 30 residues pruned to eliminate duplicates Z: 31 36.173 2.216 0.385 0.940 0.967 0.967 CA 1.546 31 residues pruned to eliminate duplicates Z: 13 35.001 2.258 0.823 0.914 1.000 0.667 CA 1.735 13 residues pruned to eliminate duplicates Z: 11 13.653 1.908 0.374 0.770 0.900 0.800 CB 1.441 11 residues pruned to eliminate duplicates Z: 12 28.975 2.164 0.898 0.933 1.000 0.636 CA 1.484 13 residues pruned to eliminate duplicates Z: 38 26.896 2.269 0.573 0.449 0.865 0.459 CB 1.509 Z: 9 13.537 1.974 0.585 0.756 0.875 0.750 CB 1.392 9 residues pruned to eliminate duplicates Z: 11 16.068 1.784 0.532 0.815 1.000 0.600 CB 1.413 11 residues pruned to eliminate duplicates Z: 30 51.685 2.217 0.782 0.942 1.000 1.000 CA 1.685 30 residues pruned to eliminate duplicates Z: 9 29.581 2.197 0.950 0.923 1.000 1.000 CB 1.716 9 residues pruned to eliminate duplicates Z: 13 25.852 2.141 0.651 0.903 0.917 0.833 CA 1.642 13 residues pruned to eliminate duplicates Z: 28 15.366 1.943 0.269 0.510 0.889 0.704 CB 1.336 Z: 7 13.401 2.031 0.531 0.761 1.000 0.500 CA 1.395 Z: 28 50.850 2.230 0.785 0.946 1.000 0.778 CA 1.701 28 residues pruned to eliminate duplicates Z: 8 13.188 1.937 0.146 0.842 1.000 0.857 CA 1.674 Z: 58 30.010 2.131 0.604 0.447 0.877 0.561 CB 1.400 38 residues pruned to eliminate duplicates Z: 9 28.296 2.181 0.941 0.894 1.000 0.625 CA 1.696 9 residues pruned to eliminate duplicates Z: 13 17.465 2.059 0.448 0.815 0.833 0.750 CB 1.543 13 residues pruned to eliminate duplicates Z: 8 29.319 2.272 0.867 0.884 1.000 0.857 CA 1.887 8 residues pruned to eliminate duplicates Z: 16 32.601 2.110 0.811 0.924 0.933 0.867 CB 1.657 16 residues pruned to eliminate duplicates Z: 16 29.585 2.133 0.513 0.932 0.933 0.800 CB 1.770 16 residues pruned to eliminate duplicates Z: 13 34.814 2.329 0.926 0.917 0.917 0.750 CA 1.725 13 residues pruned to eliminate duplicates Z: 12 27.389 2.147 0.674 0.908 0.909 0.818 CB 1.796 13 residues pruned to eliminate duplicates Z: 15 24.949 1.967 0.781 0.785 0.929 0.429 CB 1.596 15 residues pruned to eliminate duplicates Z: 32 25.331 2.082 0.730 0.477 0.871 0.613 CB 1.485 31 residues pruned to eliminate duplicates Z: 15 32.108 2.101 0.673 0.890 1.000 0.857 CB 1.755 16 residues pruned to eliminate duplicates Z: 12 22.731 2.091 0.721 0.889 0.909 0.727 CB 1.509 12 residues pruned to eliminate duplicates Z: 6 16.223 1.943 0.880 0.752 1.000 0.800 CA 1.586 6 residues pruned to eliminate duplicates Z: 29 41.475 2.009 0.836 0.927 1.000 0.750 CB 1.488 28 residues pruned to eliminate duplicates Z: 11 26.325 2.241 0.727 0.886 0.900 0.800 CB 1.724 11 residues pruned to eliminate duplicates Z: 10 16.302 1.916 0.354 0.836 1.000 0.889 CA 1.569 10 residues pruned to eliminate duplicates Z: 10 18.145 2.325 0.163 0.831 1.000 0.667 CA 1.681 10 residues pruned to eliminate duplicates Z: 28 32.349 1.994 0.408 0.910 0.963 0.667 CB 1.634 Z: 11 15.172 1.818 0.421 0.868 0.900 0.700 CA 1.508 11 residues pruned to eliminate duplicates Z: 30 58.251 2.260 1.089 0.925 1.000 0.483 CB 1.608 30 residues pruned to eliminate duplicates Z: 10 11.882 1.937 0.288 0.910 0.889 0.778 CA 1.267 Z: 14 36.160 2.182 1.144 0.907 1.000 0.538 CB 1.524 14 residues pruned to eliminate duplicates Z: 12 26.888 2.095 1.008 0.873 1.000 0.818 CB 1.404 11 residues pruned to eliminate duplicates Z: 28 23.614 2.172 0.550 0.500 0.889 0.556 CB 1.518 22 residues pruned to eliminate duplicates Z: 14 29.111 2.246 0.534 0.907 0.923 0.692 CA 1.805 Z: 16 26.006 2.007 0.531 0.873 1.000 0.800 CA 1.593 14 residues pruned to eliminate duplicates Z: 13 16.898 2.056 0.344 0.826 0.917 0.750 CB 1.453 13 residues pruned to eliminate duplicates Z: 23 26.403 1.902 0.877 0.801 0.909 0.545 CB 1.333 21 residues pruned to eliminate duplicates Z: 21 29.247 2.072 0.925 0.918 0.850 0.600 CB 1.361 21 residues pruned to eliminate duplicates Z: 12 21.179 2.134 0.578 0.883 1.000 0.818 CA 1.371 12 residues pruned to eliminate duplicates Z: 31 23.317 2.135 0.807 0.354 0.867 0.533 CB 1.491 31 residues pruned to eliminate duplicates Z: 29 56.023 2.215 0.952 0.926 1.000 0.786 CA 1.717 30 residues pruned to eliminate duplicates Z: 12 28.371 2.155 0.579 0.901 1.000 1.000 CB 1.793 11 residues pruned to eliminate duplicates Z: 15 32.253 2.201 0.739 0.873 0.929 0.643 CA 1.767 14 residues pruned to eliminate duplicates Z: 29 40.058 2.007 0.730 0.929 1.000 0.893 CA 1.526 29 residues pruned to eliminate duplicates Z: 13 31.220 2.050 0.783 0.907 1.000 0.917 CA 1.753 12 residues pruned to eliminate duplicates Z: 8 14.568 2.164 0.216 0.778 1.000 0.714 CA 1.637 8 residues pruned to eliminate duplicates Z: 16 23.846 2.022 0.732 0.854 0.933 0.867 CB 1.391 Z: 38 26.627 2.219 0.733 0.464 0.811 0.459 CB 1.457 16 residues pruned to eliminate duplicates Z: 9 24.877 1.998 0.809 0.873 1.000 0.625 CA 1.773 10 residues pruned to eliminate duplicates Z: 9 19.972 2.133 0.789 0.875 0.875 0.875 CB 1.538 9 residues pruned to eliminate duplicates Z: 10 18.769 1.974 0.404 0.884 1.000 1.000 CB 1.631 Z: 9 12.146 1.840 0.104 0.818 1.000 0.625 CB 1.605 9 residues pruned to eliminate duplicates Z: 9 15.220 1.972 0.790 0.746 0.875 0.750 N 1.398 9 residues pruned to eliminate duplicates Z: 10 22.313 2.001 0.607 0.894 1.000 0.667 CB 1.660 10 residues pruned to eliminate duplicates Z: 22 33.382 2.106 0.642 0.933 1.000 0.952 CB 1.471 Z: 88 48.944 2.178 0.674 0.543 0.908 0.586 CB 1.520 89 residues pruned to eliminate duplicates Z: 16 29.333 2.102 0.589 0.844 1.000 0.867 CA 1.688 16 residues pruned to eliminate duplicates Z: 28 40.640 2.045 0.661 0.922 1.000 0.815 CB 1.620 28 residues pruned to eliminate duplicates Z: 16 22.990 2.071 0.586 0.890 0.933 0.800 CB 1.393 16 residues pruned to eliminate duplicates Z: 12 26.501 1.958 0.974 0.844 1.000 0.727 CA 1.537 12 residues pruned to eliminate duplicates Z: 31 56.292 2.240 0.906 0.952 1.000 0.600 CB 1.657 32 residues pruned to eliminate duplicates Z: 9 23.758 2.084 0.787 0.889 1.000 0.750 CA 1.624 Z: 14 32.143 2.070 0.797 0.891 1.000 0.692 N 1.722 13 residues pruned to eliminate duplicates Z: 30 53.607 2.285 0.754 0.958 1.000 0.828 CA 1.704 30 residues pruned to eliminate duplicates Z: 26 17.849 2.118 0.675 0.546 0.760 0.560 CB 1.266 9 residues pruned to eliminate duplicates Z: 11 18.999 2.104 0.536 0.765 0.900 0.700 CA 1.633 11 residues pruned to eliminate duplicates Z: 7 12.470 1.989 0.784 0.845 0.667 0.667 CB 1.600 7 residues pruned to eliminate duplicates Z: 14 22.092 2.036 0.633 0.846 0.846 0.615 CA 1.618 14 residues pruned to eliminate duplicates Z: 11 28.526 2.192 0.889 0.874 1.000 0.800 CB 1.585 11 residues pruned to eliminate duplicates Z: 10 15.895 1.835 0.579 0.862 1.000 0.667 CB 1.343 9 residues pruned to eliminate duplicates Z: 13 35.516 2.247 1.087 0.914 0.917 0.833 CA 1.686 13 residues pruned to eliminate duplicates Z: 16 28.844 2.133 0.540 0.878 1.000 0.800 CA 1.645 16 residues pruned to eliminate duplicates Z: 6 17.592 2.268 0.675 0.852 1.000 1.000 CA 1.533 6 residues pruned to eliminate duplicates Z: 16 30.995 2.094 0.870 0.915 0.867 0.467 CB 1.667 15 residues pruned to eliminate duplicates Z: 6 3.898 1.673 0.178 0.594 0.600 0.600 O 1.348 Z: 17 17.257 1.861 0.242 0.845 0.938 0.750 CA 1.480 8 residues pruned to eliminate duplicates Z: 61 31.263 2.130 0.756 0.423 0.833 0.467 CB 1.404 47 residues pruned to eliminate duplicates Z: 24 29.020 2.035 0.597 0.866 0.913 0.739 CA 1.493 24 residues pruned to eliminate duplicates Z: 9 23.677 2.107 1.051 0.909 1.000 0.625 CB 1.375 13 residues pruned to eliminate duplicates Z: 24 30.287 2.042 0.424 0.889 1.000 0.783 CB 1.563 24 residues pruned to eliminate duplicates Z: 15 28.161 2.049 0.852 0.838 1.000 0.857 CB 1.483 15 residues pruned to eliminate duplicates Z: 12 19.004 2.001 0.712 0.767 0.909 0.545 CB 1.452 12 residues pruned to eliminate duplicates Z: 11 20.413 2.138 0.503 0.793 0.900 0.600 CA 1.726 11 residues pruned to eliminate duplicates Z: 15 25.411 1.916 0.765 0.841 0.929 0.857 CA 1.612 15 residues pruned to eliminate duplicates Z: 18 24.306 1.787 0.651 0.913 1.000 0.882 CA 1.413 Z: 30 54.182 2.295 0.858 0.932 1.000 0.552 CB 1.647 30 residues pruned to eliminate duplicates Z: 9 16.662 2.018 0.419 0.766 1.000 0.875 CA 1.626 9 residues pruned to eliminate duplicates Z: 31 40.933 2.233 0.542 0.914 1.000 0.800 CA 1.535 31 residues pruned to eliminate duplicates Z: 9 27.123 2.131 0.854 0.914 1.000 0.875 CB 1.716 9 residues pruned to eliminate duplicates Z: 31 58.821 2.248 1.032 0.938 1.000 0.767 CB 1.635 31 residues pruned to eliminate duplicates Z: 31 53.865 2.125 0.989 0.914 1.000 0.800 CA 1.645 31 residues pruned to eliminate duplicates Z: 26 16.995 1.982 0.457 0.392 0.880 0.560 CB 1.501 6 residues pruned to eliminate duplicates Z: 44 27.170 2.115 0.775 0.532 0.814 0.465 CB 1.314 44 residues pruned to eliminate duplicates Z: 15 35.175 2.118 0.817 0.898 1.000 0.929 CB 1.748 16 residues pruned to eliminate duplicates Z: 10 23.286 2.243 0.620 0.876 1.000 1.000 CB 1.552 10 residues pruned to eliminate duplicates Z: 23 27.691 2.014 0.667 0.908 0.864 0.591 CB 1.446 23 residues pruned to eliminate duplicates Z: 6 8.526 1.758 0.573 0.779 1.000 0.600 N 1.078 6 residues pruned to eliminate duplicates Z: 18 22.846 1.921 0.475 0.862 1.000 0.765 CB 1.436 16 residues pruned to eliminate duplicates Z: 15 35.140 2.131 0.712 0.926 1.000 0.929 CB 1.805 15 residues pruned to eliminate duplicates Z: 13 45.923 2.427 1.221 0.921 1.000 0.917 CB 1.730 14 residues pruned to eliminate duplicates Z: 13 42.577 2.407 1.223 0.895 1.000 0.583 CB 1.646 13 residues pruned to eliminate duplicates Z: 17 20.770 1.968 0.445 0.885 0.938 0.812 CB 1.406 17 residues pruned to eliminate duplicates Z: 23 44.827 2.213 0.853 0.925 1.000 0.818 CA 1.636 23 residues pruned to eliminate duplicates Z: 23 36.843 2.180 0.614 0.917 1.000 0.955 CB 1.576 23 residues pruned to eliminate duplicates Z: 8 21.960 2.200 0.748 0.855 1.000 0.714 CA 1.593 8 residues pruned to eliminate duplicates Z: 16 26.988 2.124 0.513 0.887 0.933 0.733 CA 1.676 16 residues pruned to eliminate duplicates Z: 16 18.260 1.890 0.242 0.888 1.000 0.933 CA 1.448 16 residues pruned to eliminate duplicates Z: 9 21.985 2.133 0.646 0.863 1.000 0.875 CA 1.625 9 residues pruned to eliminate duplicates Z: 13 24.610 1.972 0.639 0.920 1.000 0.917 CA 1.548 Z: 9 7.865 2.006 0.066 0.568 1.000 0.750 CB 1.217 Z: 13 34.846 2.197 0.861 0.903 1.000 0.917 CA 1.754 13 residues pruned to eliminate duplicates Z: 16 33.700 2.100 0.970 0.842 0.933 0.800 CB 1.679 16 residues pruned to eliminate duplicates Z: 12 27.783 2.147 0.697 0.903 1.000 0.818 CB 1.639 12 residues pruned to eliminate duplicates Z: 17 16.844 1.846 0.375 0.777 0.875 0.500 CA 1.485 17 residues pruned to eliminate duplicates Z: 8 8.432 1.936 -0.067 0.859 1.000 0.714 CA 1.298 Z: 11 25.824 2.141 0.689 0.834 1.000 0.700 CA 1.693 11 residues pruned to eliminate duplicates Z: 6 5.502 1.743 0.331 0.413 1.000 0.400 CB 1.162 Z: 19 40.527 2.156 1.007 0.905 1.000 0.667 CB 1.571 19 residues pruned to eliminate duplicates Z: 6 12.989 2.231 0.594 0.854 1.000 0.800 CB 1.206 6 residues pruned to eliminate duplicates Z: 50 28.904 2.084 0.694 0.515 0.816 0.571 CB 1.411 50 residues pruned to eliminate duplicates Z: 24 31.599 1.987 0.522 0.927 1.000 0.826 CB 1.527 24 residues pruned to eliminate duplicates Z: 72 42.464 2.171 0.813 0.480 0.859 0.465 CB 1.521 72 residues pruned to eliminate duplicates Z: 7 11.125 2.045 0.341 0.596 1.000 0.667 CB 1.511 7 residues pruned to eliminate duplicates Z: 12 22.335 2.144 0.443 0.846 1.000 0.909 CB 1.617 12 residues pruned to eliminate duplicates Z: 34 26.660 1.938 0.688 0.526 0.909 0.636 CB 1.521 Z: 16 21.910 1.836 0.654 0.811 1.000 0.733 CA 1.421 16 residues pruned to eliminate duplicates Z: 27 31.926 2.001 0.734 0.880 0.846 0.462 CB 1.545 27 residues pruned to eliminate duplicates Z: 18 16.742 1.821 0.398 0.846 0.882 0.765 CA 1.343 17 residues pruned to eliminate duplicates Z: 48 28.551 2.033 0.624 0.516 0.872 0.638 CB 1.423 55 residues pruned to eliminate duplicates Z: 10 17.769 1.872 0.847 0.913 1.000 0.889 CA 1.212 10 residues pruned to eliminate duplicates Z: 12 23.919 2.025 0.792 0.880 0.909 0.545 CB 1.584 12 residues pruned to eliminate duplicates Z: 17 26.849 2.007 0.722 0.874 0.938 0.812 CB 1.508 17 residues pruned to eliminate duplicates Z: 16 27.601 1.975 0.913 0.830 1.000 0.800 CB 1.418 16 residues pruned to eliminate duplicates Z: 31 34.958 2.168 0.515 0.895 0.933 0.767 CA 1.493 31 residues pruned to eliminate duplicates Z: 13 22.406 2.020 0.574 0.919 1.000 0.833 CB 1.434 12 residues pruned to eliminate duplicates Z: 12 21.248 2.051 0.328 0.827 1.000 0.545 CA 1.772 12 residues pruned to eliminate duplicates Z: 18 14.828 1.794 0.585 0.675 0.824 0.412 CB 1.307 18 residues pruned to eliminate duplicates Z: 16 24.761 2.111 0.470 0.867 0.933 0.933 CA 1.615 16 residues pruned to eliminate duplicates Z: 14 20.980 1.898 0.730 0.889 1.000 0.769 CB 1.275 14 residues pruned to eliminate duplicates Z: 13 34.428 2.269 0.813 0.907 1.000 0.917 CA 1.717 13 residues pruned to eliminate duplicates Z: 26 27.640 1.868 0.783 0.854 0.880 0.480 CB 1.394 Z: 20 33.870 2.129 0.924 0.939 0.947 0.526 CB 1.392 20 residues pruned to eliminate duplicates Z: 9 7.320 1.872 0.673 0.543 1.000 0.625 CB 0.792 Z: 27 57.487 2.255 1.093 0.930 1.000 0.654 CB 1.671 27 residues pruned to eliminate duplicates Z: 22 30.308 2.043 0.819 0.897 0.952 0.714 CB 1.337 22 residues pruned to eliminate duplicates Z: 15 10.713 1.595 0.229 0.720 0.929 0.643 CB 1.290 8 residues pruned to eliminate duplicates Z: 30 30.762 1.896 0.494 0.854 0.966 0.724 CA 1.543 30 residues pruned to eliminate duplicates Z: 31 49.393 2.258 0.801 0.875 0.967 0.800 CA 1.668 30 residues pruned to eliminate duplicates Z: 29 55.470 2.297 0.985 0.944 1.000 0.679 CB 1.592 29 residues pruned to eliminate duplicates Z: 28 40.059 2.046 0.724 0.930 0.963 0.778 CB 1.587 28 residues pruned to eliminate duplicates Z: 17 17.098 1.892 0.492 0.657 0.938 0.500 CB 1.395 17 residues pruned to eliminate duplicates Z: 10 20.352 2.343 0.219 0.876 1.000 0.889 CA 1.726 10 residues pruned to eliminate duplicates Z: 28 41.656 2.174 0.862 0.929 0.852 0.444 CB 1.628 28 residues pruned to eliminate duplicates Z: 16 32.623 2.106 0.697 0.916 0.933 0.800 CA 1.782 15 residues pruned to eliminate duplicates Z: 8 11.221 2.118 0.095 0.652 1.000 0.714 CB 1.587 8 residues pruned to eliminate duplicates Z: 31 56.792 2.267 1.003 0.929 1.000 0.767 CB 1.598 31 residues pruned to eliminate duplicates Z: 30 42.924 2.267 0.550 0.927 0.966 0.862 CA 1.647 30 residues pruned to eliminate duplicates Z: 28 60.237 2.280 0.998 0.946 1.000 0.852 CB 1.761 28 residues pruned to eliminate duplicates Z: 12 32.784 2.189 0.800 0.920 1.000 0.909 CB 1.767 12 residues pruned to eliminate duplicates Z: 7 5.680 1.592 0.543 0.555 0.833 0.333 CB 1.074 7 residues pruned to eliminate duplicates Z: 17 29.274 2.096 0.698 0.862 0.938 0.812 CA 1.611 16 residues pruned to eliminate duplicates Z: 13 37.413 2.363 1.252 0.897 0.833 0.500 CA 1.743 12 residues pruned to eliminate duplicates Z: 9 21.244 2.061 0.926 0.915 0.875 0.875 CA 1.528 10 residues pruned to eliminate duplicates Z: 30 48.830 2.247 0.727 0.952 1.000 0.862 CB 1.609 30 residues pruned to eliminate duplicates Z: 15 29.131 2.154 0.665 0.864 0.929 0.786 CA 1.714 15 residues pruned to eliminate duplicates Z: 12 25.300 2.025 0.721 0.900 0.909 0.727 CB 1.720 12 residues pruned to eliminate duplicates Z: 18 26.065 1.967 0.828 0.895 1.000 0.706 CB 1.260 18 residues pruned to eliminate duplicates Z: 11 25.294 2.109 0.879 0.926 1.000 0.700 CB 1.416 11 residues pruned to eliminate duplicates Z: 8 8.080 1.655 0.907 0.357 0.857 0.571 C 1.318 Z: 36 16.764 1.878 0.540 0.409 0.829 0.600 CB 1.302 9 residues pruned to eliminate duplicates Z: 16 30.662 2.056 0.833 0.930 0.933 0.733 CB 1.574 16 residues pruned to eliminate duplicates Z: 10 5.972 1.797 0.423 0.351 0.778 0.667 CB 1.176 Z: 10 12.546 1.863 0.515 0.778 1.000 0.667 CB 1.159 10 residues pruned to eliminate duplicates Z: 51 28.626 2.024 0.629 0.495 0.880 0.600 CB 1.402 53 residues pruned to eliminate duplicates Z: 31 53.202 2.205 0.805 0.933 1.000 0.733 CA 1.703 31 residues pruned to eliminate duplicates Z: 18 28.892 2.165 0.729 0.900 0.941 0.471 CB 1.420 18 residues pruned to eliminate duplicates Z: 15 20.832 1.887 0.560 0.846 0.929 0.571 N 1.514 15 residues pruned to eliminate duplicates Z: 9 21.208 1.951 0.807 0.847 1.000 0.750 CA 1.580 9 residues pruned to eliminate duplicates Z: 27 26.841 1.976 0.352 0.829 0.962 0.885 CB 1.542 24 residues pruned to eliminate duplicates Z: 7 4.856 1.782 0.741 0.352 0.667 0.500 N 1.125 Z: 30 51.250 2.149 0.946 0.931 1.000 0.828 CB 1.590 30 residues pruned to eliminate duplicates Z: 30 49.363 2.288 0.660 0.937 0.966 0.690 CA 1.739 31 residues pruned to eliminate duplicates Z: 18 39.422 2.159 0.889 0.936 1.000 0.588 CB 1.633 18 residues pruned to eliminate duplicates Z: 9 20.818 2.072 0.620 0.859 1.000 1.000 CB 1.614 10 residues pruned to eliminate duplicates Z: 9 8.787 1.772 0.436 0.690 0.875 0.500 CB 1.172 9 residues pruned to eliminate duplicates Z: 17 22.069 1.967 0.365 0.900 1.000 1.000 CA 1.467 17 residues pruned to eliminate duplicates Z: 14 28.761 2.212 0.601 0.889 0.923 0.615 CB 1.757 14 residues pruned to eliminate duplicates Z: 13 23.415 1.915 0.568 0.939 1.000 1.000 CA 1.564 13 residues pruned to eliminate duplicates Z: 7 14.879 1.947 0.782 0.773 1.000 0.667 CA 1.375 7 residues pruned to eliminate duplicates Z: 16 26.138 1.947 0.720 0.899 0.933 0.800 CB 1.542 17 residues pruned to eliminate duplicates Z: 12 18.942 1.928 0.903 0.909 1.000 0.818 CB 1.105 12 residues pruned to eliminate duplicates Z: 28 34.380 1.991 0.483 0.932 1.000 0.815 CB 1.564 28 residues pruned to eliminate duplicates Z: 12 17.644 2.049 0.645 0.787 0.818 0.545 CB 1.499 12 residues pruned to eliminate duplicates Z: 13 24.571 2.099 0.471 0.906 0.917 0.750 CB 1.783 13 residues pruned to eliminate duplicates Z: 15 32.621 2.184 0.847 0.868 0.929 0.714 CB 1.701 16 residues pruned to eliminate duplicates Z: 9 16.012 2.017 0.236 0.904 1.000 0.875 CB 1.618 9 residues pruned to eliminate duplicates Z: 8 11.396 1.854 0.403 0.874 1.000 1.000 CA 1.205 8 residues pruned to eliminate duplicates Z: 10 18.359 2.005 0.525 0.914 1.000 0.889 CA 1.415 9 residues pruned to eliminate duplicates Z: 17 25.709 1.867 0.991 0.863 0.875 0.625 CB 1.450 16 residues pruned to eliminate duplicates Z: 19 10.413 1.650 0.486 0.405 0.889 0.556 CB 1.245 Z: 7 12.189 2.087 0.254 0.803 1.000 0.833 CA 1.459 7 residues pruned to eliminate duplicates Z: 21 21.971 1.964 0.687 0.746 0.850 0.750 CB 1.400 21 residues pruned to eliminate duplicates Z: 9 7.810 1.830 0.079 0.676 0.875 0.750 CB 1.359 9 residues pruned to eliminate duplicates Z: 9 26.195 2.182 0.856 0.881 1.000 0.875 CA 1.656 9 residues pruned to eliminate duplicates Z: 12 19.947 2.025 0.515 0.886 0.909 0.727 CA 1.556 12 residues pruned to eliminate duplicates Z: 8 25.596 2.029 1.116 0.891 1.000 0.857 CA 1.619 8 residues pruned to eliminate duplicates Z: 31 42.227 2.188 0.562 0.944 1.000 0.933 CA 1.562 30 residues pruned to eliminate duplicates Z: 12 9.446 1.750 0.164 0.802 1.000 0.636 CB 1.074 Z: 19 36.394 2.083 1.046 0.901 1.000 0.667 CB 1.437 19 residues pruned to eliminate duplicates Z: 11 11.708 1.640 0.465 0.762 0.900 0.600 CA 1.357 11 residues pruned to eliminate duplicates Z: 15 24.979 2.155 0.326 0.889 1.000 0.786 CA 1.682 15 residues pruned to eliminate duplicates Z: 15 23.082 1.910 0.696 0.881 0.929 0.786 CB 1.485 15 residues pruned to eliminate duplicates Z: 12 19.141 1.772 0.758 0.827 1.000 0.727 CA 1.396 Z: 32 32.824 2.065 0.779 0.574 0.935 0.677 CB 1.597 32 residues pruned to eliminate duplicates Z: 23 30.703 2.035 0.520 0.895 0.955 0.864 CA 1.589 23 residues pruned to eliminate duplicates Z: 31 28.634 2.113 0.677 0.584 0.900 0.400 CB 1.512 26 residues pruned to eliminate duplicates Z: 8 11.587 1.691 0.448 0.843 1.000 0.714 CB 1.332 8 residues pruned to eliminate duplicates Z: 8 11.135 1.846 0.496 0.655 1.000 0.714 CA 1.319 8 residues pruned to eliminate duplicates Z: 45 26.284 2.163 0.656 0.417 0.841 0.545 CB 1.435 45 residues pruned to eliminate duplicates Z: 13 17.816 2.028 0.164 0.884 1.000 0.833 CB 1.573 13 residues pruned to eliminate duplicates Z: 14 34.829 2.254 0.932 0.911 1.000 0.692 CB 1.572 14 residues pruned to eliminate duplicates Z: 6 18.458 2.276 0.668 0.844 1.000 1.000 CB 1.617 6 residues pruned to eliminate duplicates Z: 12 26.399 2.013 0.711 0.922 1.000 0.909 CB 1.625 13 residues pruned to eliminate duplicates Z: 29 42.579 2.010 0.988 0.933 0.964 0.679 CB 1.458 28 residues pruned to eliminate duplicates Z: 12 22.902 1.995 0.655 0.860 1.000 0.727 CA 1.538 12 residues pruned to eliminate duplicates Z: 8 11.201 1.993 0.408 0.715 0.857 0.571 CB 1.448 8 residues pruned to eliminate duplicates Z: 15 18.945 1.835 0.390 0.894 1.000 1.000 CB 1.424 Z: 17 31.373 1.995 0.931 0.857 0.938 0.812 CA 1.600 17 residues pruned to eliminate duplicates Z: 9 3.066 1.679 -0.106 0.516 0.875 0.750 CB 0.812 Z: 13 25.420 2.293 0.380 0.882 1.000 0.917 CA 1.678 13 residues pruned to eliminate duplicates Z: 13 14.689 1.979 0.124 0.887 0.917 0.750 CB 1.498 13 residues pruned to eliminate duplicates Z: 12 28.036 2.036 0.773 0.935 1.000 0.636 CB 1.631 13 residues pruned to eliminate duplicates Z: 23 15.266 1.997 0.418 0.450 0.909 0.682 CB 1.331 23 residues pruned to eliminate duplicates Z: 9 8.546 1.699 0.604 0.511 0.875 0.625 O 1.253 Z: 13 30.293 2.283 0.711 0.929 1.000 1.000 CA 1.566 13 residues pruned to eliminate duplicates Z: 9 17.135 2.007 0.715 0.887 0.875 0.500 CB 1.451 9 residues pruned to eliminate duplicates Z: 28 40.338 2.033 0.703 0.920 0.963 0.593 CB 1.640 28 residues pruned to eliminate duplicates Z: 12 14.373 2.019 0.542 0.388 1.000 0.364 CB 1.567 12 residues pruned to eliminate duplicates Z: 24 28.918 1.991 0.602 0.870 0.957 0.696 CB 1.443 24 residues pruned to eliminate duplicates Z: 31 43.145 2.229 0.500 0.923 1.000 0.733 CA 1.655 31 residues pruned to eliminate duplicates Z: 28 37.323 2.005 0.699 0.934 0.926 0.481 CB 1.588 28 residues pruned to eliminate duplicates Z: 17 24.420 2.009 0.488 0.903 1.000 1.000 CA 1.455 17 residues pruned to eliminate duplicates Z: 10 16.844 1.862 0.560 0.764 1.000 0.667 N 1.530 10 residues pruned to eliminate duplicates Z: 17 27.098 1.972 0.518 0.902 1.000 0.750 CA 1.614 16 residues pruned to eliminate duplicates Z: 24 29.448 2.021 0.408 0.900 1.000 0.870 CB 1.541 24 residues pruned to eliminate duplicates Z: 36 32.699 2.005 0.807 0.764 0.914 0.571 CB 1.320 26 residues pruned to eliminate duplicates Z: 17 23.431 1.844 0.647 0.873 0.938 0.812 CA 1.499 Z: 32 45.485 2.181 0.707 0.925 1.000 0.871 CA 1.540 32 residues pruned to eliminate duplicates Z: 15 28.465 2.129 0.539 0.865 1.000 0.786 CA 1.702 15 residues pruned to eliminate duplicates Z: 16 18.878 1.839 0.258 0.852 1.000 0.867 CA 1.558 16 residues pruned to eliminate duplicates Z: 8 14.869 1.992 0.470 0.791 1.000 0.714 CB 1.486 11 residues pruned to eliminate duplicates Z: 12 20.921 2.130 0.619 0.744 0.909 0.545 CB 1.617 12 residues pruned to eliminate duplicates Z: 25 25.840 1.939 0.458 0.845 0.958 0.833 CA 1.448 25 residues pruned to eliminate duplicates Z: 13 35.542 2.384 0.868 0.910 1.000 0.583 CB 1.633 13 residues pruned to eliminate duplicates Z: 24 29.994 1.956 0.698 0.895 0.913 0.478 CB 1.479 43 residues pruned to eliminate duplicates Z: 9 16.575 1.897 0.508 0.863 1.000 1.000 CA 1.503 Z: 29 33.865 1.962 0.457 0.910 1.000 0.893 CA 1.588 29 residues pruned to eliminate duplicates Z: 25 23.731 2.107 0.751 0.527 0.958 0.542 CB 1.335 21 residues pruned to eliminate duplicates Z: 19 14.419 1.895 0.567 0.429 0.833 0.444 CB 1.477 19 residues pruned to eliminate duplicates Z: 24 32.740 2.004 0.688 0.898 0.913 0.696 CB 1.581 24 residues pruned to eliminate duplicates Z: 28 45.399 2.153 0.984 0.925 0.926 0.407 CB 1.551 28 residues pruned to eliminate duplicates Z: 15 30.973 2.178 0.739 0.850 0.929 0.643 CB 1.744 15 residues pruned to eliminate duplicates Z: 8 15.974 1.994 0.519 0.798 1.000 0.714 N 1.536 8 residues pruned to eliminate duplicates Z: 12 18.071 1.845 0.676 0.893 1.000 0.818 CB 1.265 12 residues pruned to eliminate duplicates Z: 21 13.410 1.982 0.589 0.406 0.850 0.300 CB 1.236 21 residues pruned to eliminate duplicates Z: 9 21.291 2.212 0.684 0.902 0.875 0.625 CB 1.647 9 residues pruned to eliminate duplicates Z: 46 30.422 2.047 0.456 0.538 0.978 0.533 CB 1.500 46 residues pruned to eliminate duplicates Z: 21 30.585 1.966 0.941 0.872 0.900 0.550 CB 1.452 21 residues pruned to eliminate duplicates Z: 15 21.327 2.063 0.678 0.799 1.000 0.571 CB 1.267 15 residues pruned to eliminate duplicates Z: 28 19.126 1.972 0.884 0.510 0.815 0.556 CB 1.204 19 residues pruned to eliminate duplicates Z: 6 5.497 1.747 0.239 0.845 1.000 0.800 CB 0.845 Z: 14 20.523 1.800 0.701 0.905 1.000 0.846 CA 1.323 14 residues pruned to eliminate duplicates Z: 8 10.984 1.668 0.779 0.711 1.000 0.857 O 1.155 8 residues pruned to eliminate duplicates Z: 29 39.067 2.009 0.767 0.931 1.000 0.857 CA 1.454 29 residues pruned to eliminate duplicates Z: 40 27.058 1.973 0.515 0.599 0.923 0.513 CB 1.429 14 residues pruned to eliminate duplicates Z: 9 21.522 1.917 0.942 0.896 1.000 0.625 CB 1.465 9 residues pruned to eliminate duplicates Z: 26 24.206 1.855 0.689 0.844 0.920 0.520 CB 1.250 26 residues pruned to eliminate duplicates Z: 13 25.117 2.084 0.526 0.922 0.917 0.667 CA 1.749 13 residues pruned to eliminate duplicates Z: 8 12.874 1.920 0.423 0.889 1.000 0.714 CA 1.283 7 residues pruned to eliminate duplicates Z: 12 36.409 2.101 1.427 0.904 1.000 0.727 CB 1.533 12 residues pruned to eliminate duplicates Z: 10 7.755 2.043 0.168 0.550 0.889 0.778 CB 1.160 Z: 16 23.332 2.091 0.525 0.911 0.933 0.867 CB 1.434 16 residues pruned to eliminate duplicates Z: 25 19.701 2.124 0.518 0.401 0.958 0.458 CB 1.444 18 residues pruned to eliminate duplicates Z: 13 41.146 2.230 1.157 0.929 1.000 0.667 CB 1.728 13 residues pruned to eliminate duplicates Z: 18 13.343 2.026 0.484 0.453 0.882 0.412 CB 1.280 18 residues pruned to eliminate duplicates Z: 13 24.638 1.993 0.551 0.892 1.000 0.583 CA 1.653 13 residues pruned to eliminate duplicates Z: 14 15.703 2.091 0.702 0.585 0.769 0.615 CA 1.467 14 residues pruned to eliminate duplicates Z: 16 29.521 2.104 0.745 0.844 0.933 0.733 CB 1.656 16 residues pruned to eliminate duplicates Z: 12 16.973 1.703 0.766 0.889 1.000 0.727 CB 1.225 Z: 11 17.401 1.892 0.523 0.822 1.000 0.600 CB 1.444 9 residues pruned to eliminate duplicates Z: 20 32.638 2.040 1.178 0.842 0.895 0.684 CB 1.404 20 residues pruned to eliminate duplicates Z: 13 18.371 1.856 0.414 0.919 1.000 1.000 CA 1.424 13 residues pruned to eliminate duplicates Z: 14 21.869 1.889 0.575 0.917 1.000 0.923 CB 1.438 15 residues pruned to eliminate duplicates Z: 29 34.009 1.955 0.631 0.939 1.000 0.929 CA 1.401 29 residues pruned to eliminate duplicates Z: 6 8.685 1.768 0.436 0.838 1.000 0.600 CA 1.143 6 residues pruned to eliminate duplicates Z: 16 18.562 2.237 0.540 0.420 0.867 0.467 CB 1.744 16 residues pruned to eliminate duplicates Z: 9 27.934 2.108 1.108 0.860 1.000 0.750 CB 1.634 9 residues pruned to eliminate duplicates Z: 24 30.799 1.929 0.671 0.907 0.957 0.739 CB 1.481 24 residues pruned to eliminate duplicates Z: 10 20.651 1.915 0.621 0.915 1.000 0.778 N 1.567 10 residues pruned to eliminate duplicates Z: 24 34.190 2.011 0.643 0.913 0.957 0.696 CB 1.596 24 residues pruned to eliminate duplicates Z: 17 18.649 1.966 0.385 0.842 0.938 0.750 CA 1.361 17 residues pruned to eliminate duplicates Z: 29 37.786 1.977 0.781 0.910 0.964 0.429 CB 1.491 29 residues pruned to eliminate duplicates Z: 11 16.929 2.117 0.241 0.800 0.900 0.400 CA 1.742 11 residues pruned to eliminate duplicates Z: 28 45.929 2.226 0.804 0.927 1.000 0.852 CA 1.543 28 residues pruned to eliminate duplicates Z: 9 16.450 2.138 0.827 0.488 0.875 0.750 CB 1.723 9 residues pruned to eliminate duplicates Z: 51 26.681 2.199 0.472 0.411 0.860 0.600 CB 1.489 57 residues pruned to eliminate duplicates Z: 12 10.216 2.001 0.388 0.356 0.818 0.455 CB 1.583 Z: 12 8.853 1.744 0.040 0.781 0.909 0.636 CB 1.264 Z: 25 42.470 2.201 0.797 0.890 0.958 0.708 CA 1.646 25 residues pruned to eliminate duplicates Z: 6 5.145 1.692 0.077 0.747 0.800 0.600 CA 1.267 6 residues pruned to eliminate duplicates Z: 49 36.669 2.048 0.784 0.551 0.938 0.604 CB 1.469 49 residues pruned to eliminate duplicates Z: 10 16.262 1.894 0.688 0.895 0.889 0.667 CB 1.368 10 residues pruned to eliminate duplicates Z: 8 12.531 1.984 0.595 0.692 1.000 0.429 CB 1.256 8 residues pruned to eliminate duplicates Z: 16 19.706 1.897 0.311 0.877 1.000 0.800 CA 1.486 16 residues pruned to eliminate duplicates Z: 11 32.554 2.150 1.079 0.888 1.000 1.000 CA 1.659 12 residues pruned to eliminate duplicates Z: 28 35.041 2.006 0.882 0.889 0.889 0.519 CB 1.447 28 residues pruned to eliminate duplicates Z: 6 10.357 2.143 0.330 0.827 1.000 0.800 CB 1.225 Z: 23 16.672 1.738 0.437 0.876 0.955 0.818 CB 1.084 Z: 8 11.745 1.830 0.598 0.807 1.000 1.000 CA 1.162 8 residues pruned to eliminate duplicates Z: 30 25.174 2.218 0.587 0.542 0.828 0.517 CB 1.540 30 residues pruned to eliminate duplicates Z: 6 8.225 2.018 -0.087 0.850 1.000 1.000 N 1.479 6 residues pruned to eliminate duplicates Z: 8 20.214 2.107 0.682 0.840 1.000 0.857 CA 1.609 8 residues pruned to eliminate duplicates Z: 17 18.151 1.904 0.590 0.806 0.812 0.688 CA 1.413 17 residues pruned to eliminate duplicates Z: 19 29.993 2.054 0.530 0.935 1.000 0.944 CA 1.568 19 residues pruned to eliminate duplicates Z: 12 21.574 2.080 0.545 0.909 1.000 0.818 CA 1.436 12 residues pruned to eliminate duplicates Z: 13 22.127 2.057 0.652 0.861 0.917 0.667 CA 1.507 13 residues pruned to eliminate duplicates Z: 23 19.634 1.829 0.440 0.909 0.955 0.773 CB 1.181 23 residues pruned to eliminate duplicates Z: 29 51.844 2.176 0.993 0.915 0.964 0.679 CB 1.656 29 residues pruned to eliminate duplicates Z: 15 34.638 2.206 0.598 0.937 1.000 0.786 CA 1.827 15 residues pruned to eliminate duplicates Z: 12 26.025 2.188 0.416 0.901 1.000 0.727 CB 1.808 12 residues pruned to eliminate duplicates Z: 10 14.225 1.849 0.641 0.884 1.000 0.889 CA 1.128 10 residues pruned to eliminate duplicates Z: 7 3.931 1.688 0.760 0.776 0.833 0.667 N 0.508 7 residues pruned to eliminate duplicates Z: 24 30.928 1.977 0.567 0.886 0.957 0.739 CB 1.570 24 residues pruned to eliminate duplicates Z: 16 26.035 2.056 0.552 0.892 0.933 0.667 CB 1.622 17 residues pruned to eliminate duplicates Z: 16 28.158 2.029 0.645 0.921 0.933 0.867 CA 1.643 16 residues pruned to eliminate duplicates Z: 32 27.210 2.177 0.648 0.559 0.839 0.484 CB 1.534 30 residues pruned to eliminate duplicates Z: 17 17.231 1.766 0.554 0.849 0.875 0.750 CB 1.330 17 residues pruned to eliminate duplicates Z: 15 32.620 2.135 0.658 0.921 1.000 0.857 CB 1.733 15 residues pruned to eliminate duplicates Z: 16 26.350 2.148 0.533 0.837 0.933 0.867 CB 1.656 16 residues pruned to eliminate duplicates Z: 11 27.272 2.145 0.775 0.846 1.000 0.700 CA 1.682 11 residues pruned to eliminate duplicates Z: 8 6.864 2.026 0.285 0.682 0.857 0.714 CB 0.983 8 residues pruned to eliminate duplicates Z: 8 12.017 1.786 0.182 0.810 1.000 0.714 C 1.643 8 residues pruned to eliminate duplicates Z: 15 19.625 1.797 0.723 0.865 0.929 0.429 CB 1.336 15 residues pruned to eliminate duplicates Z: 31 30.635 2.019 0.864 0.609 0.967 0.567 CB 1.387 31 residues pruned to eliminate duplicates Z: 13 28.021 2.028 0.760 0.873 1.000 0.750 CB 1.651 13 residues pruned to eliminate duplicates Z: 12 29.299 2.020 0.938 0.905 1.000 0.909 CA 1.606 11 residues pruned to eliminate duplicates Z: 13 17.490 1.949 0.638 0.883 1.000 0.917 CB 1.144 13 residues pruned to eliminate duplicates Z: 28 43.825 2.078 0.814 0.944 1.000 0.704 CB 1.549 28 residues pruned to eliminate duplicates Z: 12 27.393 2.239 0.703 0.840 1.000 0.455 CA 1.616 12 residues pruned to eliminate duplicates Z: 8 7.379 1.904 0.351 0.510 0.857 0.571 CA 1.252 8 residues pruned to eliminate duplicates Z: 28 25.302 2.024 0.569 0.667 0.926 0.630 CB 1.418 17 residues pruned to eliminate duplicates Z: 8 9.972 1.870 0.407 0.822 1.000 0.857 CB 1.084 Z: 15 17.883 1.944 0.278 0.912 0.929 0.786 CB 1.467 15 residues pruned to eliminate duplicates Z: 29 41.453 2.007 0.813 0.932 1.000 0.821 CB 1.504 29 residues pruned to eliminate duplicates Z: 9 10.601 1.737 0.499 0.869 1.000 0.875 CB 1.052 9 residues pruned to eliminate duplicates Z: 10 10.295 1.597 0.530 0.732 1.000 0.667 CB 1.140 8 residues pruned to eliminate duplicates Z: 16 6.497 1.659 0.356 0.369 0.800 0.600 CB 1.073 16 residues pruned to eliminate duplicates Z: 16 19.405 1.855 0.361 0.929 0.933 0.667 CB 1.488 16 residues pruned to eliminate duplicates Z: 11 16.972 1.874 0.498 0.870 1.000 0.800 CB 1.396 12 residues pruned to eliminate duplicates Z: 19 6.354 1.663 0.452 0.327 0.722 0.444 CB 1.038 19 residues pruned to eliminate duplicates Z: 8 7.706 1.830 0.093 0.685 0.857 0.857 CB 1.433 Z: 69 39.908 1.989 0.619 0.660 0.941 0.588 CB 1.376 68 residues pruned to eliminate duplicates Z: 23 27.225 1.972 0.432 0.877 1.000 0.909 CA 1.493 23 residues pruned to eliminate duplicates Z: 57 43.306 2.130 0.717 0.729 0.893 0.714 CB 1.443 66 residues pruned to eliminate duplicates Z: 32 52.053 2.070 1.162 0.920 0.968 0.548 CB 1.521 31 residues pruned to eliminate duplicates Z: 23 29.388 2.054 0.597 0.842 0.955 0.727 CB 1.491 23 residues pruned to eliminate duplicates Z: 39 69.045 2.362 1.093 0.836 1.000 0.868 CB 1.695 39 residues pruned to eliminate duplicates Z: 26 14.941 2.018 0.486 0.411 0.840 0.480 CB 1.302 26 residues pruned to eliminate duplicates Z: 8 14.501 1.873 0.917 0.871 0.857 0.571 CB 1.299 8 residues pruned to eliminate duplicates Z: 6 4.553 2.059 -0.322 0.681 0.800 0.600 CB 1.543 Z: 23 30.210 2.002 0.463 0.947 1.000 1.000 CA 1.520 23 residues pruned to eliminate duplicates Z: 12 5.070 1.563 0.678 0.546 0.818 0.455 CB 0.681 Z: 11 9.980 1.933 0.694 0.654 0.800 0.700 CB 1.045 10 residues pruned to eliminate duplicates Z: 13 18.904 2.001 0.310 0.903 1.000 0.500 CB 1.484 13 residues pruned to eliminate duplicates Z: 15 18.605 1.875 0.495 0.806 0.929 0.714 CB 1.463 15 residues pruned to eliminate duplicates Z: 29 14.705 1.919 0.474 0.454 0.786 0.536 CB 1.312 29 residues pruned to eliminate duplicates Z: 30 48.841 2.259 0.722 0.939 1.000 0.759 CB 1.620 30 residues pruned to eliminate duplicates Z: 17 18.687 1.927 0.535 0.878 0.875 0.812 CB 1.310 17 residues pruned to eliminate duplicates Z: 16 23.636 2.043 0.355 0.879 1.000 0.800 CA 1.598 16 residues pruned to eliminate duplicates Z: 12 19.272 1.741 0.744 0.908 1.000 0.727 CB 1.359 12 residues pruned to eliminate duplicates Z: 13 19.763 2.005 0.282 0.912 1.000 0.583 CA 1.572 13 residues pruned to eliminate duplicates Z: 25 24.863 1.894 0.595 0.859 0.875 0.667 CB 1.414 25 residues pruned to eliminate duplicates Z: 7 19.452 2.058 0.685 0.876 1.000 1.000 CB 1.665 7 residues pruned to eliminate duplicates Z: 17 34.752 2.079 0.885 0.857 1.000 0.688 CA 1.634 18 residues pruned to eliminate duplicates Z: 9 13.439 1.879 0.522 0.786 1.000 0.500 CB 1.292 9 residues pruned to eliminate duplicates Z: 14 26.262 2.130 0.641 0.849 1.000 0.846 CB 1.544 14 residues pruned to eliminate duplicates Z: 31 54.427 2.243 0.865 0.938 1.000 0.767 CB 1.651 31 residues pruned to eliminate duplicates Z: 24 26.195 2.020 0.399 0.838 0.957 0.696 CB 1.511 24 residues pruned to eliminate duplicates Z: 13 12.176 1.672 0.182 0.888 1.000 0.917 CB 1.282 12 residues pruned to eliminate duplicates Z: 23 31.143 2.049 0.877 0.880 0.818 0.318 CB 1.529 23 residues pruned to eliminate duplicates Z: 14 19.847 1.870 0.655 0.905 1.000 1.000 CB 1.266 14 residues pruned to eliminate duplicates Z: 29 55.392 2.209 0.965 0.944 0.964 0.536 CA 1.732 29 residues pruned to eliminate duplicates Z: 19 17.567 2.110 0.690 0.428 0.778 0.556 CB 1.609 19 residues pruned to eliminate duplicates Z: 10 13.846 1.909 0.477 0.752 1.000 0.778 CA 1.308 10 residues pruned to eliminate duplicates Z: 14 27.375 2.087 1.034 0.858 0.769 0.385 CA 1.713 14 residues pruned to eliminate duplicates Z: 24 29.253 2.000 0.434 0.895 0.957 0.870 CB 1.594 24 residues pruned to eliminate duplicates Z: 25 27.583 1.880 0.495 0.862 0.958 0.792 CB 1.534 25 residues pruned to eliminate duplicates Z: 16 22.290 1.873 0.525 0.930 0.933 0.800 CA 1.509 16 residues pruned to eliminate duplicates Z: 11 7.730 1.748 0.150 0.837 0.900 0.600 CB 1.011 11 residues pruned to eliminate duplicates Z: 15 23.858 1.988 0.371 0.932 1.000 0.857 CB 1.634 16 residues pruned to eliminate duplicates Z: 13 6.412 1.779 0.562 0.470 0.833 0.500 CB 0.824 12 residues pruned to eliminate duplicates Z: 14 24.154 1.996 0.715 0.892 0.923 0.692 CB 1.524 14 residues pruned to eliminate duplicates Z: 29 38.361 2.012 0.818 0.918 0.929 0.679 CA 1.506 29 residues pruned to eliminate duplicates Z: 10 19.733 2.080 0.522 0.894 1.000 0.778 CB 1.490 10 residues pruned to eliminate duplicates Z: 22 29.670 2.082 0.434 0.896 1.000 0.952 CA 1.553 24 residues pruned to eliminate duplicates Z: 17 24.124 1.780 0.542 0.892 1.000 0.938 CB 1.579 17 residues pruned to eliminate duplicates Z: 10 15.290 1.854 0.414 0.875 1.000 0.778 CA 1.414 10 residues pruned to eliminate duplicates Z: 22 19.799 2.073 0.777 0.532 0.810 0.524 CA 1.404 29 residues pruned to eliminate duplicates Z: 10 9.315 1.992 0.542 0.525 0.889 0.889 CB 1.110 10 residues pruned to eliminate duplicates Z: 8 4.583 1.351 0.653 0.393 0.714 0.429 C 1.216 8 residues pruned to eliminate duplicates Z: 27 26.259 1.999 0.604 0.702 0.962 0.692 CB 1.389 18 residues pruned to eliminate duplicates Z: 8 9.830 1.634 0.651 0.769 1.000 0.714 CB 1.086 6 residues pruned to eliminate duplicates Z: 10 15.554 1.991 0.339 0.849 1.000 0.778 CA 1.441 10 residues pruned to eliminate duplicates Z: 13 37.564 2.245 1.181 0.928 1.000 0.750 CB 1.551 13 residues pruned to eliminate duplicates Z: 14 24.881 2.019 0.691 0.910 1.000 0.769 CB 1.434 14 residues pruned to eliminate duplicates Z: 39 30.807 1.926 0.758 0.691 0.947 0.553 CB 1.308 39 residues pruned to eliminate duplicates Z: 9 7.819 1.863 -0.069 0.864 1.000 0.625 CB 1.169 9 residues pruned to eliminate duplicates Z: 14 22.726 2.129 0.601 0.822 1.000 0.846 CB 1.399 14 residues pruned to eliminate duplicates Z: 6 16.245 2.088 0.724 0.851 1.000 1.000 CB 1.494 6 residues pruned to eliminate duplicates Z: 12 8.868 1.889 0.611 0.327 0.818 0.545 CB 1.299 12 residues pruned to eliminate duplicates Z: 7 7.488 1.883 0.379 0.538 0.833 0.667 CB 1.361 7 residues pruned to eliminate duplicates Z: 15 26.576 1.887 0.788 0.915 1.000 0.857 CA 1.488 14 residues pruned to eliminate duplicates Z: 31 51.475 2.251 0.780 0.949 1.000 0.867 CA 1.619 31 residues pruned to eliminate duplicates Z: 26 28.882 2.028 0.542 0.851 0.880 0.760 CB 1.553 26 residues pruned to eliminate duplicates Z: 26 29.745 2.058 0.704 0.838 0.880 0.600 CB 1.440 24 residues pruned to eliminate duplicates Z: 10 8.652 1.803 0.202 0.534 0.889 0.444 CB 1.447 7 residues pruned to eliminate duplicates Z: 8 17.484 2.070 0.491 0.824 1.000 0.714 CB 1.618 8 residues pruned to eliminate duplicates Z: 31 49.884 2.105 1.017 0.910 0.967 0.533 CA 1.574 31 residues pruned to eliminate duplicates Z: 16 25.267 1.872 0.726 0.887 1.000 0.467 CA 1.457 16 residues pruned to eliminate duplicates Z: 54 34.621 2.181 0.787 0.518 0.906 0.472 CB 1.323 53 residues pruned to eliminate duplicates Z: 25 32.975 2.046 0.470 0.922 1.000 0.917 CB 1.573 25 residues pruned to eliminate duplicates Z: 15 26.923 2.007 0.551 0.938 1.000 0.857 CB 1.607 16 residues pruned to eliminate duplicates Z: 15 32.125 2.125 0.656 0.927 1.000 0.857 CB 1.710 15 residues pruned to eliminate duplicates Z: 28 40.502 2.042 0.727 0.921 0.963 0.556 CB 1.615 28 residues pruned to eliminate duplicates Z: 9 13.327 1.873 0.521 0.673 0.875 0.625 CA 1.611 9 residues pruned to eliminate duplicates Z: 13 30.082 2.111 0.797 0.886 1.000 0.667 CB 1.653 13 residues pruned to eliminate duplicates Z: 15 20.781 1.872 0.409 0.915 1.000 0.857 CA 1.488 15 residues pruned to eliminate duplicates Z: 24 29.935 1.981 0.515 0.898 0.957 0.696 CB 1.555 24 residues pruned to eliminate duplicates Z: 8 9.402 1.681 0.607 0.768 1.000 0.714 CB 1.037 8 residues pruned to eliminate duplicates Z: 58 30.965 2.141 0.562 0.475 0.895 0.509 CB 1.406 58 residues pruned to eliminate duplicates Z: 12 24.247 1.993 0.748 0.902 0.909 0.909 CB 1.647 12 residues pruned to eliminate duplicates Z: 10 14.635 1.863 0.520 0.775 0.889 0.667 CA 1.521 10 residues pruned to eliminate duplicates Z: 12 4.088 1.490 0.304 0.412 0.818 0.455 CB 0.850 Z: 21 18.210 2.027 0.718 0.592 0.850 0.450 CB 1.259 17 residues pruned to eliminate duplicates Z: 46 30.593 1.977 0.732 0.681 0.889 0.489 CB 1.269 32 residues pruned to eliminate duplicates Z: 9 19.961 2.128 0.655 0.874 1.000 0.500 CA 1.458 9 residues pruned to eliminate duplicates Z: 15 16.081 1.909 0.088 0.924 1.000 0.929 CB 1.454 15 residues pruned to eliminate duplicates Z: 25 19.754 1.769 0.445 0.880 0.958 0.708 CB 1.193 25 residues pruned to eliminate duplicates Z: 29 58.891 2.189 1.233 0.916 1.000 0.679 CB 1.608 29 residues pruned to eliminate duplicates Z: 57 40.316 2.011 0.721 0.714 0.946 0.643 CB 1.355 54 residues pruned to eliminate duplicates Z: 6 4.285 1.757 0.805 0.297 0.600 0.400 N 1.264 6 residues pruned to eliminate duplicates Z: 14 18.108 1.802 0.372 0.897 1.000 0.615 CB 1.454 14 residues pruned to eliminate duplicates Z: 19 29.930 2.066 0.816 0.929 0.944 0.556 CB 1.394 19 residues pruned to eliminate duplicates Z: 60 56.092 2.249 0.954 0.565 0.949 0.593 CB 1.644 60 residues pruned to eliminate duplicates Z: 29 27.670 2.051 0.571 0.663 0.929 0.714 CB 1.502 29 residues pruned to eliminate duplicates Z: 29 31.457 1.939 0.495 0.915 0.964 0.821 CA 1.503 29 residues pruned to eliminate duplicates Z: 36 55.247 2.151 1.024 0.867 0.971 0.629 CB 1.616 39 residues pruned to eliminate duplicates Z: 29 35.575 2.014 0.410 0.917 1.000 0.964 CA 1.670 28 residues pruned to eliminate duplicates Z: 16 24.083 2.079 0.329 0.910 0.933 0.867 CA 1.711 16 residues pruned to eliminate duplicates 8 1.604 1.476 0.319 0.336 0.571 0.429 N 0.651 ? Z: 14 32.206 2.164 0.857 0.915 1.000 0.846 CB 1.572 14 residues pruned to eliminate duplicates Z: 31 59.410 2.136 1.135 0.938 1.000 0.433 CB 1.655 31 residues pruned to eliminate duplicates Z: 15 15.594 1.692 0.598 0.877 1.000 0.857 CB 1.119 15 residues pruned to eliminate duplicates Z: 6 9.404 1.731 0.410 0.705 1.000 0.600 N 1.430 6 residues pruned to eliminate duplicates Z: 17 23.210 2.009 0.385 0.901 1.000 0.938 CB 1.489 17 residues pruned to eliminate duplicates Z: 10 12.376 1.925 0.384 0.757 0.889 0.889 CA 1.386 11 residues pruned to eliminate duplicates Z: 28 27.275 2.236 0.841 0.350 0.926 0.593 CA 1.619 28 residues pruned to eliminate duplicates Z: 42 23.676 1.996 0.510 0.519 0.878 0.512 CB 1.371 39 residues pruned to eliminate duplicates Z: 12 32.597 2.248 0.760 0.910 1.000 0.818 CA 1.762 12 residues pruned to eliminate duplicates Z: 8 8.486 1.756 0.133 0.788 1.000 0.857 CA 1.251 8 residues pruned to eliminate duplicates Z: 9 2.820 1.611 0.209 0.269 0.625 0.250 CB 1.064 9 residues pruned to eliminate duplicates Z: 14 18.813 1.866 0.550 0.905 0.846 0.769 CA 1.518 14 residues pruned to eliminate duplicates Z: 7 10.210 1.913 0.407 0.781 1.000 0.833 CB 1.209 7 residues pruned to eliminate duplicates Z: 30 39.410 1.991 0.813 0.922 0.966 0.483 CB 1.477 30 residues pruned to eliminate duplicates Z: 23 21.849 1.810 0.529 0.878 0.955 0.818 CB 1.280 23 residues pruned to eliminate duplicates Z: 17 23.976 1.853 0.762 0.881 1.000 0.812 CB 1.330 17 residues pruned to eliminate duplicates Z: 31 35.857 2.232 0.337 0.940 1.000 0.933 CA 1.525 31 residues pruned to eliminate duplicates Z: 10 14.738 1.991 0.110 0.905 1.000 0.889 CA 1.581 10 residues pruned to eliminate duplicates Z: 104 64.577 2.227 0.770 0.631 0.932 0.699 CB 1.531 108 residues pruned to eliminate duplicates Z: 14 16.854 1.800 0.482 0.917 1.000 0.923 CB 1.237 14 residues pruned to eliminate duplicates Z: 16 30.516 2.109 0.732 0.887 0.933 0.733 CA 1.665 16 residues pruned to eliminate duplicates Z: 24 26.795 2.091 0.751 0.894 0.826 0.348 CB 1.325 24 residues pruned to eliminate duplicates Z: 15 25.129 2.054 0.571 0.852 1.000 0.786 CA 1.541 13 residues pruned to eliminate duplicates Z: 38 31.287 2.281 0.575 0.495 0.919 0.405 CB 1.566 38 residues pruned to eliminate duplicates Z: 12 13.854 1.712 0.331 0.906 1.000 0.818 CA 1.304 11 residues pruned to eliminate duplicates Z: 8 3.097 1.523 0.328 0.335 0.714 0.571 CB 0.971 Z: 39 26.454 2.115 0.685 0.483 0.816 0.526 CB 1.503 39 residues pruned to eliminate duplicates Z: 29 45.028 2.006 1.033 0.917 1.000 0.643 CB 1.473 29 residues pruned to eliminate duplicates Z: 7 9.926 1.972 0.317 0.883 1.000 1.000 CB 1.129 7 residues pruned to eliminate duplicates Z: 7 8.400 1.679 0.219 0.892 1.000 1.000 CA 1.203 7 residues pruned to eliminate duplicates Z: 13 13.207 1.607 0.355 0.888 1.000 0.667 CB 1.261 13 residues pruned to eliminate duplicates Z: 10 11.590 1.733 0.237 0.816 1.000 0.778 CA 1.369 10 residues pruned to eliminate duplicates Z: 19 21.637 1.992 0.527 0.815 0.944 0.722 CB 1.350 19 residues pruned to eliminate duplicates Z: 12 27.483 2.124 0.731 0.898 1.000 1.000 CB 1.611 14 residues pruned to eliminate duplicates Z: 29 12.430 1.865 0.571 0.419 0.786 0.500 CB 1.110 29 residues pruned to eliminate duplicates Z: 10 24.340 1.869 1.053 0.915 1.000 0.778 CB 1.493 10 residues pruned to eliminate duplicates Z: 33 23.372 2.202 0.698 0.508 0.781 0.594 CB 1.404 33 residues pruned to eliminate duplicates Z: 28 26.203 2.009 0.467 0.688 0.963 0.778 CB 1.496 27 residues pruned to eliminate duplicates Z: 7 19.088 1.927 1.163 0.832 1.000 1.000 CA 1.403 7 residues pruned to eliminate duplicates Z: 15 31.576 2.171 0.622 0.911 1.000 0.857 CB 1.698 15 residues pruned to eliminate duplicates Z: 18 24.949 1.971 0.944 0.852 0.941 0.647 CB 1.241 18 residues pruned to eliminate duplicates Z: 16 9.460 1.945 0.241 0.392 0.733 0.400 CB 1.547 16 residues pruned to eliminate duplicates Z: 54 28.323 2.066 0.711 0.412 0.830 0.472 CB 1.454 54 residues pruned to eliminate duplicates Z: 16 12.761 2.078 0.736 0.551 0.800 0.600 CB 1.087 16 residues pruned to eliminate duplicates Z: 18 30.166 2.030 0.762 0.870 0.941 0.706 CA 1.587 18 residues pruned to eliminate duplicates Z: 15 10.714 1.878 0.377 0.782 0.857 0.643 CB 1.007 15 residues pruned to eliminate duplicates Z: 29 36.041 1.960 0.609 0.916 1.000 0.679 CB 1.525 29 residues pruned to eliminate duplicates Z: 32 38.865 2.160 0.484 0.916 0.968 0.806 CA 1.589 32 residues pruned to eliminate duplicates Z: 23 29.538 2.135 0.398 0.919 1.000 0.909 CA 1.487 23 residues pruned to eliminate duplicates Z: 70 36.646 1.988 0.568 0.652 0.928 0.710 CB 1.324 71 residues pruned to eliminate duplicates Z: 16 22.484 1.885 0.530 0.893 1.000 0.867 CA 1.445 17 residues pruned to eliminate duplicates Z: 11 16.696 1.786 0.700 0.862 1.000 0.800 CB 1.276 11 residues pruned to eliminate duplicates Z: 27 28.482 1.993 0.576 0.839 0.885 0.654 CB 1.502 27 residues pruned to eliminate duplicates Z: 29 29.464 1.974 0.455 0.871 0.893 0.571 CB 1.583 29 residues pruned to eliminate duplicates Z: 14 16.060 1.857 0.413 0.873 1.000 0.769 CA 1.236 14 residues pruned to eliminate duplicates Z: 14 25.887 1.814 1.121 0.877 1.000 0.538 CB 1.354 13 residues pruned to eliminate duplicates Z: 27 21.691 2.078 0.717 0.538 0.846 0.577 CB 1.358 27 residues pruned to eliminate duplicates Z: 12 23.573 2.104 0.701 0.930 1.000 0.545 CB 1.389 12 residues pruned to eliminate duplicates Z: 11 10.466 1.650 0.221 0.913 1.000 0.900 CB 1.163 11 residues pruned to eliminate duplicates Z: 25 17.051 2.107 0.534 0.534 0.833 0.542 CB 1.250 25 residues pruned to eliminate duplicates Z: 13 19.926 2.035 0.353 0.893 1.000 1.000 CA 1.499 13 residues pruned to eliminate duplicates Z: 14 14.845 1.721 0.674 0.767 0.923 0.769 CB 1.222 15 residues pruned to eliminate duplicates Z: 59 32.483 2.144 0.631 0.454 0.914 0.586 CB 1.399 59 residues pruned to eliminate duplicates Z: 16 26.495 2.034 0.541 0.902 1.000 0.600 CB 1.557 16 residues pruned to eliminate duplicates Z: 13 16.718 1.763 0.498 0.922 1.000 1.000 CB 1.285 13 residues pruned to eliminate duplicates Z: 11 17.161 2.073 0.785 0.506 1.000 0.800 CB 1.458 11 residues pruned to eliminate duplicates Z: 26 20.716 1.934 0.455 0.583 0.920 0.720 CB 1.478 26 residues pruned to eliminate duplicates Z: 14 35.535 2.198 1.140 0.898 1.000 0.846 CB 1.498 14 residues pruned to eliminate duplicates Z: 19 17.479 1.928 0.522 0.674 0.833 0.722 CB 1.435 19 residues pruned to eliminate duplicates Z: 20 24.961 1.914 0.627 0.872 0.947 0.737 CB 1.415 20 residues pruned to eliminate duplicates Z: 29 39.035 2.022 1.096 0.940 0.929 0.500 CB 1.302 29 residues pruned to eliminate duplicates Z: 12 9.111 1.689 0.101 0.775 0.909 0.909 CB 1.276 12 residues pruned to eliminate duplicates Z: 25 33.379 2.027 0.693 0.852 0.917 0.708 CB 1.602 25 residues pruned to eliminate duplicates Z: 15 19.140 1.979 0.152 0.927 1.000 0.786 CB 1.572 15 residues pruned to eliminate duplicates Z: 41 25.299 2.025 0.639 0.540 0.900 0.650 CB 1.288 41 residues pruned to eliminate duplicates Z: 10 5.460 1.684 0.498 0.526 0.778 0.778 CB 0.905 10 residues pruned to eliminate duplicates Z: 53 32.433 2.018 0.749 0.498 0.904 0.519 CB 1.413 53 residues pruned to eliminate duplicates Z: 16 27.852 2.056 0.603 0.904 0.933 0.800 CA 1.665 16 residues pruned to eliminate duplicates Z: 14 20.213 1.861 0.582 0.875 1.000 0.692 CB 1.385 14 residues pruned to eliminate duplicates Z: 29 50.401 2.164 0.913 0.924 1.000 0.857 CA 1.616 29 residues pruned to eliminate duplicates Z: 26 33.363 2.063 0.737 0.701 1.000 0.760 CB 1.551 28 residues pruned to eliminate duplicates Z: 42 20.916 1.976 0.440 0.542 0.878 0.561 CB 1.255 42 residues pruned to eliminate duplicates Z: 8 16.243 1.842 0.633 0.876 1.000 0.857 N 1.484 8 residues pruned to eliminate duplicates Z: 18 9.619 1.716 0.118 0.585 0.941 0.765 CB 1.191 Z: 12 17.647 2.046 0.285 0.830 1.000 0.545 CA 1.522 12 residues pruned to eliminate duplicates Z: 17 23.401 1.972 0.666 0.857 0.938 0.750 CB 1.400 17 residues pruned to eliminate duplicates Z: 6 8.376 1.781 0.804 0.741 0.800 0.600 CB 1.174 6 residues pruned to eliminate duplicates Z: 18 16.629 1.691 0.536 0.881 0.882 0.647 CB 1.274 Z: 25 16.510 2.096 0.606 0.534 0.833 0.375 CB 1.162 22 residues pruned to eliminate duplicates Z: 11 7.722 1.796 0.291 0.795 0.800 0.500 CB 1.017 11 residues pruned to eliminate duplicates Z: 28 40.973 2.070 0.892 0.942 0.963 0.630 CB 1.450 28 residues pruned to eliminate duplicates Z: 15 26.344 2.100 0.751 0.900 0.929 0.786 CB 1.473 15 residues pruned to eliminate duplicates Z: 6 2.549 1.553 0.209 0.636 0.800 0.800 CB 0.668 Z: 13 8.248 1.815 0.011 0.539 0.917 0.667 CB 1.362 13 residues pruned to eliminate duplicates Z: 11 13.156 1.754 0.747 0.598 1.000 0.800 CA 1.236 11 residues pruned to eliminate duplicates Z: 12 7.856 1.886 0.188 0.437 0.909 0.727 CB 1.242 12 residues pruned to eliminate duplicates Z: 15 17.519 1.815 0.276 0.906 1.000 0.857 CB 1.438 15 residues pruned to eliminate duplicates Z: 23 20.031 1.825 0.453 0.895 1.000 0.818 CB 1.154 23 residues pruned to eliminate duplicates Z: 30 36.599 1.958 0.697 0.924 0.931 0.310 CB 1.543 30 residues pruned to eliminate duplicates Z: 17 17.968 1.835 0.542 0.807 0.875 0.562 CB 1.388 17 residues pruned to eliminate duplicates Z: 29 37.707 1.987 0.933 0.912 0.964 0.464 CB 1.363 29 residues pruned to eliminate duplicates Z: 9 11.945 2.015 0.437 0.858 0.875 0.875 CA 1.227 9 residues pruned to eliminate duplicates Z: 27 21.554 2.161 0.513 0.459 0.923 0.577 CB 1.461 28 residues pruned to eliminate duplicates Z: 8 11.863 2.003 0.375 0.679 1.000 0.714 CB 1.381 7 residues pruned to eliminate duplicates Z: 9 3.372 1.529 0.809 0.329 0.500 0.250 N 1.040 Z: 12 12.273 1.744 0.477 0.817 0.909 0.727 CB 1.201 12 residues pruned to eliminate duplicates Z: 13 7.138 1.764 0.353 0.496 0.750 0.417 CB 1.155 Z: 13 11.393 1.775 0.175 0.774 0.917 0.500 CB 1.351 13 residues pruned to eliminate duplicates Z: 14 7.730 1.843 0.358 0.362 0.692 0.385 CB 1.436 Z: 18 26.889 2.033 0.635 0.759 0.941 0.824 CB 1.656 18 residues pruned to eliminate duplicates Z: 13 22.690 1.849 0.744 0.846 1.000 0.750 CB 1.509 13 residues pruned to eliminate duplicates Z: 7 16.684 2.023 0.613 0.786 1.000 0.667 CB 1.622 7 residues pruned to eliminate duplicates Z: 16 19.957 1.866 0.399 0.871 1.000 0.600 CB 1.440 16 residues pruned to eliminate duplicates Z: 7 17.074 1.872 1.275 0.592 1.000 0.500 CA 1.499 7 residues pruned to eliminate duplicates Z: 48 23.404 2.025 0.659 0.380 0.787 0.383 CB 1.468 53 residues pruned to eliminate duplicates Z: 30 31.030 1.942 0.755 0.887 0.897 0.690 CB 1.360 30 residues pruned to eliminate duplicates Z: 32 32.918 2.050 0.678 0.657 0.968 0.710 CB 1.534 32 residues pruned to eliminate duplicates Z: 9 12.913 1.892 0.342 0.820 0.875 0.625 CB 1.556 9 residues pruned to eliminate duplicates Z: 30 27.101 1.943 0.692 0.637 0.931 0.552 CB 1.446 29 residues pruned to eliminate duplicates Z: 25 27.504 1.984 0.598 0.849 0.833 0.750 CB 1.576 25 residues pruned to eliminate duplicates Z: 12 25.504 2.042 0.751 0.911 1.000 1.000 CA 1.524 12 residues pruned to eliminate duplicates Z: 17 16.978 1.942 0.345 0.792 0.875 0.562 CB 1.438 17 residues pruned to eliminate duplicates Z: 7 8.162 1.828 0.272 0.794 1.000 0.500 CB 1.107 7 residues pruned to eliminate duplicates Z: 24 28.914 2.054 0.499 0.879 0.913 0.783 CB 1.556 24 residues pruned to eliminate duplicates Z: 8 9.878 1.814 0.576 0.832 1.000 0.714 CB 0.981 8 residues pruned to eliminate duplicates Z: 30 49.756 2.246 0.923 0.938 0.966 0.483 CB 1.541 30 residues pruned to eliminate duplicates Z: 8 11.485 1.921 0.803 0.825 0.714 0.429 CA 1.324 8 residues pruned to eliminate duplicates Z: 10 15.270 1.740 0.573 0.887 1.000 0.778 CA 1.341 10 residues pruned to eliminate duplicates Z: 11 28.813 2.074 1.258 0.920 1.000 0.500 CB 1.370 11 residues pruned to eliminate duplicates Z: 15 34.481 2.184 0.912 0.904 0.929 0.571 CA 1.692 15 residues pruned to eliminate duplicates Z: 11 11.952 1.720 0.492 0.684 0.900 0.500 CA 1.383 11 residues pruned to eliminate duplicates Z: 13 12.954 1.689 0.408 0.915 1.000 0.667 CB 1.111 12 residues pruned to eliminate duplicates Z: 10 12.249 1.850 0.439 0.903 1.000 0.889 CB 1.094 12 residues pruned to eliminate duplicates Z: 7 4.328 1.942 0.102 0.250 0.833 0.667 CB 1.321 7 residues pruned to eliminate duplicates Z: 15 14.041 1.712 0.656 0.860 0.929 0.571 CB 1.048 13 residues pruned to eliminate duplicates Z: 16 6.450 1.830 0.168 0.355 0.867 0.533 CB 1.051 Z: 6 6.216 1.801 0.184 0.427 1.000 0.400 O 1.405 Z: 12 26.362 2.013 0.795 0.891 1.000 0.727 CA 1.581 12 residues pruned to eliminate duplicates Z: 33 26.916 2.016 0.587 0.623 1.000 0.531 CB 1.324 33 residues pruned to eliminate duplicates Z: 18 21.806 2.159 0.657 0.667 0.882 0.588 CB 1.436 18 residues pruned to eliminate duplicates Z: 25 24.829 1.947 0.524 0.873 0.875 0.542 CB 1.422 25 residues pruned to eliminate duplicates Z: 16 13.323 1.779 0.660 0.548 0.733 0.467 CB 1.516 16 residues pruned to eliminate duplicates Z: 61 53.838 2.258 0.916 0.547 0.933 0.617 CB 1.644 61 residues pruned to eliminate duplicates 8 1.933 1.608 -0.025 0.336 0.714 0.429 CB 0.781 ? Z: 16 25.179 1.862 0.644 0.911 1.000 0.800 CB 1.505 28 residues pruned to eliminate duplicates Z: 21 21.682 2.052 0.662 0.576 0.900 0.500 CB 1.469 20 residues pruned to eliminate duplicates Z: 37 34.379 2.024 0.809 0.764 0.889 0.528 CB 1.393 39 residues pruned to eliminate duplicates Z: 8 14.497 1.805 0.912 0.868 0.857 0.714 CB 1.354 8 residues pruned to eliminate duplicates Z: 29 25.413 2.031 0.555 0.639 0.929 0.714 CB 1.437 29 residues pruned to eliminate duplicates Z: 11 9.905 1.590 0.419 0.821 1.000 0.800 CB 1.051 Z: 13 28.484 1.959 1.046 0.903 0.917 0.500 CB 1.595 14 residues pruned to eliminate duplicates Z: 8 15.241 1.842 0.538 0.878 1.000 0.857 N 1.475 8 residues pruned to eliminate duplicates Z: 30 42.760 1.979 1.031 0.935 0.966 0.586 CB 1.426 30 residues pruned to eliminate duplicates Z: 24 33.397 2.101 0.854 0.886 0.913 0.696 CB 1.413 24 residues pruned to eliminate duplicates Z: 18 18.802 1.779 0.645 0.847 0.882 0.706 CA 1.311 18 residues pruned to eliminate duplicates Z: 10 10.355 1.830 0.267 0.842 1.000 0.778 CB 1.110 10 residues pruned to eliminate duplicates Z: 13 14.323 2.122 0.761 0.491 0.833 0.500 CB 1.340 13 residues pruned to eliminate duplicates Z: 27 16.269 2.130 0.645 0.260 0.769 0.423 CA 1.559 27 residues pruned to eliminate duplicates Z: 16 23.079 1.939 0.658 0.888 0.867 0.667 CB 1.541 17 residues pruned to eliminate duplicates Z: 29 29.619 2.059 0.552 0.653 1.000 0.714 CB 1.518 29 residues pruned to eliminate duplicates Z: 13 17.313 1.910 0.508 0.890 1.000 0.833 CB 1.249 13 residues pruned to eliminate duplicates Z: 30 23.321 1.860 0.346 0.663 0.966 0.690 CA 1.540 17 residues pruned to eliminate duplicates Z: 13 24.655 1.872 0.811 0.925 1.000 0.750 CB 1.473 13 residues pruned to eliminate duplicates Z: 17 22.134 1.814 0.795 0.847 0.938 0.562 CB 1.346 18 residues pruned to eliminate duplicates Z: 29 25.213 1.961 0.696 0.619 0.964 0.464 CB 1.327 29 residues pruned to eliminate duplicates Z: 25 24.729 1.935 0.740 0.833 0.792 0.542 CB 1.421 25 residues pruned to eliminate duplicates Z: 21 10.743 1.755 0.214 0.480 0.850 0.600 CA 1.353 21 residues pruned to eliminate duplicates Z: 6 11.900 1.955 0.442 0.852 1.000 0.800 CA 1.397 6 residues pruned to eliminate duplicates Z: 7 4.391 1.662 0.227 0.607 0.833 0.667 CB 0.954 Z: 17 21.551 1.872 0.580 0.866 1.000 0.625 CB 1.334 17 residues pruned to eliminate duplicates Z: 13 8.009 1.826 0.342 0.483 0.833 0.500 CB 1.153 13 residues pruned to eliminate duplicates Z: 9 14.212 1.876 0.234 0.879 1.000 0.750 CB 1.573 9 residues pruned to eliminate duplicates Z: 26 17.420 2.070 0.812 0.469 0.840 0.400 CB 1.142 26 residues pruned to eliminate duplicates Z: 10 9.316 1.870 0.543 0.332 0.889 0.556 CB 1.454 10 residues pruned to eliminate duplicates Z: 6 3.912 1.698 0.074 0.535 0.800 0.600 CA 1.158 Z: 6 5.487 1.753 0.800 0.631 1.000 0.600 CB 0.687 Z: 17 16.275 1.841 0.542 0.607 0.875 0.500 CB 1.480 17 residues pruned to eliminate duplicates Z: 14 19.853 1.881 0.719 0.918 1.000 0.769 CB 1.201 14 residues pruned to eliminate duplicates Z: 11 9.154 1.805 0.229 0.790 0.900 0.600 CB 1.124 11 residues pruned to eliminate duplicates Z: 24 33.713 2.004 0.731 0.896 0.957 0.652 CB 1.518 24 residues pruned to eliminate duplicates Z: 9 13.674 1.803 1.017 0.705 0.750 0.625 CB 1.472 9 residues pruned to eliminate duplicates Z: 9 20.901 2.092 0.675 0.836 1.000 0.625 CA 1.579 9 residues pruned to eliminate duplicates Z: 8 5.870 1.669 0.770 0.489 0.857 0.429 CB 0.887 8 residues pruned to eliminate duplicates Z: 9 19.966 2.045 0.449 0.892 1.000 1.000 CB 1.710 9 residues pruned to eliminate duplicates Z: 6 2.916 1.492 0.214 0.645 0.800 0.600 CB 0.786 Z: 6 9.869 1.916 0.173 0.829 1.000 0.600 CA 1.478 6 residues pruned to eliminate duplicates Z: 19 21.247 2.060 0.454 0.740 0.944 0.833 CB 1.428 19 residues pruned to eliminate duplicates Z: 27 15.626 1.728 0.393 0.679 0.923 0.615 CB 1.170 16 residues pruned to eliminate duplicates Z: 7 5.357 1.610 0.072 0.543 1.000 0.667 CB 1.216 7 residues pruned to eliminate duplicates Z: 20 27.742 1.887 0.885 0.904 0.947 0.737 CB 1.345 20 residues pruned to eliminate duplicates Z: 7 8.291 1.601 0.532 0.822 0.833 0.667 N 1.253 Z: 9 12.495 1.888 0.318 0.859 1.000 0.750 CB 1.306 9 residues pruned to eliminate duplicates Z: 15 21.127 1.939 0.669 0.855 0.929 0.786 CB 1.387 17 residues pruned to eliminate duplicates Z: 13 23.183 1.737 0.994 0.883 1.000 0.750 CA 1.397 13 residues pruned to eliminate duplicates Z: 10 17.611 1.931 0.628 0.780 1.000 0.778 CB 1.459 10 residues pruned to eliminate duplicates Z: 9 16.539 2.064 0.308 0.864 1.000 1.000 CB 1.589 9 residues pruned to eliminate duplicates Z: 10 12.330 1.827 0.359 0.851 1.000 0.889 CB 1.225 9 residues pruned to eliminate duplicates Z: 15 17.696 1.846 0.289 0.930 1.000 0.857 CB 1.390 15 residues pruned to eliminate duplicates Z: 29 44.554 2.031 0.966 0.927 1.000 0.643 CB 1.478 29 residues pruned to eliminate duplicates Z: 23 23.322 1.838 0.714 0.899 1.000 0.773 CB 1.128 23 residues pruned to eliminate duplicates Z: 12 8.991 1.735 0.350 0.483 0.909 0.636 CB 1.296 12 residues pruned to eliminate duplicates Z: 9 23.651 2.245 0.814 0.879 0.875 0.875 CA 1.702 9 residues pruned to eliminate duplicates Z: 24 18.199 1.793 0.277 0.932 1.000 0.913 CB 1.157 24 residues pruned to eliminate duplicates Z: 13 16.772 1.857 0.480 0.866 0.917 0.667 CB 1.407 13 residues pruned to eliminate duplicates Z: 8 17.248 1.863 0.713 0.868 1.000 0.714 CA 1.494 8 residues pruned to eliminate duplicates Z: 33 35.483 2.201 0.924 0.644 0.844 0.531 CB 1.534 34 residues pruned to eliminate duplicates Z: 29 38.289 2.026 0.967 0.917 0.929 0.536 CB 1.380 30 residues pruned to eliminate duplicates Z: 9 6.181 1.775 0.166 0.653 0.875 0.625 CB 1.047 Z: 15 17.040 1.856 0.275 0.877 1.000 0.786 CB 1.398 15 residues pruned to eliminate duplicates Z: 30 35.898 1.957 0.767 0.885 0.931 0.655 CB 1.495 30 residues pruned to eliminate duplicates Z: 20 26.292 2.076 0.488 0.785 0.947 0.632 CB 1.604 20 residues pruned to eliminate duplicates Z: 30 33.617 1.986 0.782 0.888 0.862 0.448 CB 1.474 30 residues pruned to eliminate duplicates Z: 31 26.421 1.987 0.643 0.641 0.933 0.700 CB 1.387 31 residues pruned to eliminate duplicates Z: 14 25.025 2.081 0.679 0.848 1.000 0.923 CA 1.474 14 residues pruned to eliminate duplicates Z: 10 11.261 1.694 1.084 0.823 0.778 0.444 CB 1.033 10 residues pruned to eliminate duplicates Z: 16 21.038 1.885 0.479 0.860 0.933 0.667 CA 1.535 19 residues pruned to eliminate duplicates Z: 17 18.840 1.873 0.471 0.875 0.875 0.625 CA 1.421 17 residues pruned to eliminate duplicates Z: 6 6.429 1.703 0.374 0.605 0.800 0.600 CA 1.390 6 residues pruned to eliminate duplicates Z: 11 22.052 2.084 0.807 0.754 0.900 0.600 CB 1.640 11 residues pruned to eliminate duplicates Z: 79 31.798 2.047 0.537 0.478 0.872 0.667 CB 1.342 79 residues pruned to eliminate duplicates Z: 13 27.532 1.942 0.867 0.893 1.000 0.417 CB 1.574 13 residues pruned to eliminate duplicates Z: 14 29.936 2.144 0.783 0.868 1.000 0.692 CA 1.587 14 residues pruned to eliminate duplicates Z: 11 12.647 2.007 0.228 0.712 0.800 0.500 N 1.673 11 residues pruned to eliminate duplicates Z: 15 21.656 1.845 0.487 0.922 1.000 1.000 CB 1.483 15 residues pruned to eliminate duplicates Z: 9 18.235 1.938 0.722 0.902 1.000 0.625 CB 1.378 9 residues pruned to eliminate duplicates Z: 6 10.563 1.764 0.780 0.723 1.000 0.600 N 1.230 6 residues pruned to eliminate duplicates Z: 9 14.151 1.843 0.723 0.903 1.000 0.750 CB 1.122 9 residues pruned to eliminate duplicates Z: 13 19.040 1.882 0.499 0.928 1.000 1.000 CB 1.364 13 residues pruned to eliminate duplicates Z: 10 20.334 1.879 0.928 0.912 1.000 0.667 CB 1.325 10 residues pruned to eliminate duplicates Z: 13 6.104 1.750 0.327 0.477 0.750 0.500 CB 1.036 13 residues pruned to eliminate duplicates Z: 6 3.984 1.470 0.404 0.514 0.800 0.400 CB 1.064 Z: 25 28.506 1.913 0.439 0.867 1.000 0.833 CA 1.547 25 residues pruned to eliminate duplicates Z: 9 7.768 1.899 0.036 0.889 1.000 1.000 CB 1.005 9 residues pruned to eliminate duplicates Z: 8 6.949 1.640 0.225 0.630 1.000 0.286 CB 1.158 8 residues pruned to eliminate duplicates Z: 13 9.598 1.679 0.220 0.777 1.000 0.667 CB 1.059 13 residues pruned to eliminate duplicates Z: 14 19.453 1.837 0.565 0.904 0.923 0.846 CB 1.448 14 residues pruned to eliminate duplicates Z: 16 15.512 1.840 0.721 0.523 0.867 0.333 CB 1.427 16 residues pruned to eliminate duplicates Z: 8 3.242 1.878 0.263 0.443 0.714 0.429 CB 0.767 8 residues pruned to eliminate duplicates 7 1.927 1.435 0.529 0.250 0.833 0.500 CB 0.574 ? Z: 7 3.459 1.647 -0.034 0.787 1.000 0.333 CB 0.689 7 residues pruned to eliminate duplicates Z: 16 26.612 1.934 0.604 0.918 1.000 0.867 CB 1.562 16 residues pruned to eliminate duplicates Z: 16 22.146 1.998 0.553 0.917 0.933 0.800 CB 1.393 16 residues pruned to eliminate duplicates Z: 8 4.031 1.810 -0.019 0.630 0.857 0.429 CB 0.886 6 residues pruned to eliminate duplicates Z: 12 16.314 1.951 0.678 0.911 1.000 0.909 CB 1.065 12 residues pruned to eliminate duplicates Z: 7 2.303 1.676 0.374 0.252 0.667 0.333 CB 0.814 Z: 18 21.107 2.032 0.368 0.891 0.882 0.588 CB 1.500 18 residues pruned to eliminate duplicates Z: 10 13.949 2.031 0.206 0.837 1.000 0.778 CA 1.419 10 residues pruned to eliminate duplicates Z: 13 12.477 1.763 0.627 0.901 0.917 0.750 CB 0.978 13 residues pruned to eliminate duplicates Z: 6 13.935 1.882 0.828 0.832 1.000 0.800 CA 1.360 Z: 7 2.795 1.560 0.212 0.281 0.833 0.500 CB 0.927 Z: 14 14.607 1.763 0.535 0.926 0.923 0.692 CB 1.137 14 residues pruned to eliminate duplicates Z: 14 16.663 1.932 0.286 0.875 0.923 0.692 CA 1.466 14 residues pruned to eliminate duplicates Z: 29 24.730 1.907 0.468 0.655 0.929 0.607 CA 1.556 30 residues pruned to eliminate duplicates Z: 16 22.788 1.942 0.724 0.856 0.867 0.467 CB 1.495 16 residues pruned to eliminate duplicates Z: 10 14.971 1.843 0.387 0.902 1.000 0.889 CB 1.392 10 residues pruned to eliminate duplicates Z: 18 23.871 1.776 0.681 0.870 1.000 0.765 CA 1.416 18 residues pruned to eliminate duplicates Z: 18 17.522 2.152 0.364 0.623 0.941 0.588 CB 1.370 18 residues pruned to eliminate duplicates Z: 18 11.502 1.799 0.415 0.439 0.882 0.706 CB 1.323 20 residues pruned to eliminate duplicates Z: 13 8.816 1.721 0.619 0.340 0.750 0.417 CB 1.450 13 residues pruned to eliminate duplicates Z: 16 24.131 1.911 0.565 0.864 1.000 0.867 CA 1.527 17 residues pruned to eliminate duplicates Z: 13 13.550 1.825 0.371 0.881 0.917 0.583 CB 1.235 13 residues pruned to eliminate duplicates Z: 8 11.547 2.027 0.265 0.733 0.857 0.714 CB 1.610 8 residues pruned to eliminate duplicates Z: 28 42.620 2.036 1.005 0.943 0.926 0.593 CA 1.504 29 residues pruned to eliminate duplicates Z: 6 11.904 1.863 0.920 0.823 1.000 0.800 CB 1.125 Z: 29 37.403 2.002 0.768 0.875 0.929 0.321 CB 1.564 29 residues pruned to eliminate duplicates Z: 31 27.887 2.007 0.557 0.605 0.967 0.633 CB 1.525 31 residues pruned to eliminate duplicates Z: 7 8.382 1.723 0.089 0.854 1.000 0.833 CA 1.347 7 residues pruned to eliminate duplicates Z: 29 30.840 2.033 0.782 0.641 0.964 0.786 CB 1.462 29 residues pruned to eliminate duplicates Z: 6 5.593 1.733 0.183 0.556 0.800 0.800 CB 1.443 Z: 10 19.280 2.245 0.476 0.833 1.000 0.556 CB 1.455 10 residues pruned to eliminate duplicates Z: 14 12.849 1.874 0.632 0.669 0.846 0.692 CA 1.179 14 residues pruned to eliminate duplicates Z: 28 18.784 1.913 0.595 0.497 0.889 0.333 CB 1.336 28 residues pruned to eliminate duplicates Z: 12 19.024 1.873 0.584 0.879 1.000 0.818 CB 1.402 12 residues pruned to eliminate duplicates Z: 7 22.058 2.250 0.924 0.840 1.000 0.833 CA 1.553 7 residues pruned to eliminate duplicates Z: 15 18.618 1.985 0.443 0.856 0.857 0.786 CB 1.494 15 residues pruned to eliminate duplicates Z: 8 8.079 1.961 0.562 0.612 0.857 0.714 CB 1.045 9 residues pruned to eliminate duplicates Z: 9 10.278 1.867 0.234 0.903 1.000 1.000 CB 1.124 9 residues pruned to eliminate duplicates Z: 13 12.112 1.679 0.370 0.842 1.000 0.917 CB 1.133 11 residues pruned to eliminate duplicates Z: 7 9.527 1.823 0.544 0.653 0.833 0.500 CA 1.438 7 residues pruned to eliminate duplicates Z: 11 23.212 2.144 0.677 0.844 1.000 0.600 CB 1.520 11 residues pruned to eliminate duplicates Z: 56 25.208 1.942 0.577 0.497 0.945 0.491 CB 1.177 56 residues pruned to eliminate duplicates Z: 56 34.176 1.999 0.715 0.642 0.927 0.509 CB 1.269 56 residues pruned to eliminate duplicates Z: 11 24.345 1.970 1.042 0.809 0.900 0.500 CB 1.624 11 residues pruned to eliminate duplicates Z: 16 12.113 1.746 0.011 0.874 1.000 0.933 CB 1.290 16 residues pruned to eliminate duplicates Z: 13 13.723 1.856 0.205 0.910 0.917 0.917 CB 1.371 13 residues pruned to eliminate duplicates Z: 7 12.267 2.085 0.716 0.410 0.833 0.667 O 1.846 7 residues pruned to eliminate duplicates Z: 16 30.693 2.117 0.714 0.854 1.000 0.733 CA 1.613 16 residues pruned to eliminate duplicates Z: 28 13.761 1.868 0.467 0.478 0.778 0.481 CB 1.271 28 residues pruned to eliminate duplicates Z: 31 17.744 2.065 0.502 0.496 0.767 0.367 CB 1.368 31 residues pruned to eliminate duplicates Z: 7 11.400 2.023 0.407 0.767 1.000 0.833 CB 1.290 7 residues pruned to eliminate duplicates Z: 19 20.816 1.710 0.688 0.878 1.000 0.444 CB 1.234 20 residues pruned to eliminate duplicates Z: 7 5.498 1.892 0.584 0.477 1.000 0.667 CB 0.766 Z: 15 22.011 1.983 0.851 0.835 1.000 0.500 CB 1.200 15 residues pruned to eliminate duplicates Z: 27 36.100 2.021 0.503 0.940 0.962 0.885 CB 1.683 27 residues pruned to eliminate duplicates Z: 30 18.060 2.071 0.582 0.422 0.828 0.483 CB 1.343 30 residues pruned to eliminate duplicates Z: 9 6.565 1.811 0.456 0.815 0.875 0.625 CB 0.765 9 residues pruned to eliminate duplicates Z: 23 19.968 1.851 0.527 0.874 0.955 0.773 CB 1.148 23 residues pruned to eliminate duplicates Z: 30 33.842 1.972 0.735 0.889 1.000 0.517 CB 1.322 30 residues pruned to eliminate duplicates Z: 27 19.383 1.888 0.493 0.599 0.923 0.500 CB 1.330 28 residues pruned to eliminate duplicates Z: 13 6.822 1.515 0.091 0.788 0.917 0.750 CB 1.009 13 residues pruned to eliminate duplicates Z: 8 5.223 1.368 0.657 0.392 0.857 0.286 N 1.140 Z: 13 25.672 1.911 0.750 0.929 1.000 0.917 CA 1.550 13 residues pruned to eliminate duplicates Z: 24 34.625 2.048 0.940 0.909 0.913 0.565 CB 1.413 24 residues pruned to eliminate duplicates Z: 6 11.344 1.941 0.293 0.797 1.000 0.800 CB 1.558 6 residues pruned to eliminate duplicates Z: 12 22.696 1.957 0.680 0.882 1.000 0.727 CA 1.506 12 residues pruned to eliminate duplicates Z: 84 39.799 2.009 0.622 0.601 0.916 0.566 CB 1.330 84 residues pruned to eliminate duplicates Z: 29 16.772 2.074 0.553 0.360 0.893 0.643 CB 1.282 29 residues pruned to eliminate duplicates Z: 6 2.052 1.270 0.211 0.482 0.600 0.600 O 1.012 Z: 9 12.273 1.685 0.623 0.833 1.000 0.750 CB 1.190 9 residues pruned to eliminate duplicates Z: 26 23.937 2.173 0.733 0.571 0.920 0.400 CB 1.290 28 residues pruned to eliminate duplicates Z: 16 21.004 2.007 0.805 0.762 0.867 0.600 CB 1.369 16 residues pruned to eliminate duplicates Z: 23 11.411 1.826 0.615 0.344 0.864 0.500 CB 1.132 23 residues pruned to eliminate duplicates Z: 17 14.557 1.686 0.346 0.882 0.938 0.750 CB 1.238 17 residues pruned to eliminate duplicates Z: 18 7.377 1.677 0.308 0.415 0.882 0.588 CB 1.010 18 residues pruned to eliminate duplicates Z: 9 13.019 1.877 0.426 0.897 0.875 0.875 CB 1.407 9 residues pruned to eliminate duplicates Z: 29 55.448 2.235 1.191 0.943 0.929 0.607 CB 1.597 29 residues pruned to eliminate duplicates Z: 13 15.320 1.814 0.364 0.792 0.917 0.667 CA 1.509 13 residues pruned to eliminate duplicates Z: 15 20.200 1.812 0.595 0.880 0.929 0.571 CB 1.458 15 residues pruned to eliminate duplicates Z: 14 8.812 1.693 0.180 0.613 1.000 0.692 CB 1.098 14 residues pruned to eliminate duplicates Z: 42 27.555 1.910 0.459 0.668 0.951 0.683 CB 1.391 42 residues pruned to eliminate duplicates Z: 12 21.654 2.022 0.641 0.854 1.000 0.636 CB 1.453 12 residues pruned to eliminate duplicates Z: 7 6.433 1.646 0.573 0.856 1.000 1.000 CB 0.749 7 residues pruned to eliminate duplicates Z: 19 14.069 1.603 0.531 0.777 0.889 0.611 CB 1.191 19 residues pruned to eliminate duplicates Z: 10 12.590 1.766 0.549 0.739 0.889 0.556 CB 1.393 10 residues pruned to eliminate duplicates Z: 14 4.407 1.590 0.297 0.384 0.692 0.538 CB 0.969 14 residues pruned to eliminate duplicates Z: 6 7.027 1.803 0.503 0.612 1.000 0.800 CA 1.043 Z: 9 13.697 1.924 0.237 0.906 1.000 0.875 CB 1.447 9 residues pruned to eliminate duplicates Z: 23 26.825 1.951 0.274 0.936 1.000 0.955 CB 1.603 23 residues pruned to eliminate duplicates Z: 6 2.517 1.634 0.383 0.575 0.800 0.600 CB 0.579 Z: 28 23.012 2.118 0.546 0.503 0.889 0.593 CB 1.518 28 residues pruned to eliminate duplicates Z: 8 4.874 1.634 0.344 0.547 0.857 0.571 CB 0.934 9 residues pruned to eliminate duplicates Z: 20 28.934 2.090 0.680 0.720 0.947 0.684 CB 1.635 20 residues pruned to eliminate duplicates Z: 58 52.597 2.233 0.778 0.735 0.930 0.719 CB 1.528 58 residues pruned to eliminate duplicates Z: 16 19.216 1.844 0.425 0.869 1.000 0.867 CA 1.380 16 residues pruned to eliminate duplicates Z: 14 23.185 2.049 0.529 0.861 0.923 0.846 CA 1.633 14 residues pruned to eliminate duplicates Z: 7 2.308 1.481 0.392 0.645 0.500 0.500 CB 0.799 7 residues pruned to eliminate duplicates Z: 50 29.007 1.954 0.685 0.630 0.857 0.531 CB 1.299 50 residues pruned to eliminate duplicates Z: 13 10.679 1.596 0.730 0.746 0.833 0.417 CA 1.075 Z: 14 27.746 2.118 0.727 0.878 0.923 0.769 CA 1.654 14 residues pruned to eliminate duplicates Z: 6 3.636 1.643 0.419 0.296 0.600 0.600 CA 1.460 Z: 42 41.248 2.162 0.509 0.790 0.951 0.756 CA 1.608 42 residues pruned to eliminate duplicates Z: 23 19.962 1.926 0.631 0.663 0.864 0.545 CB 1.348 23 residues pruned to eliminate duplicates Z: 21 19.841 1.778 0.614 0.876 1.000 0.650 CB 1.124 21 residues pruned to eliminate duplicates Z: 14 44.369 2.263 1.307 0.927 1.000 0.846 CB 1.652 14 residues pruned to eliminate duplicates Z: 15 20.304 1.916 0.309 0.900 1.000 0.929 CA 1.545 15 residues pruned to eliminate duplicates Z: 28 24.574 2.005 0.605 0.580 0.963 0.444 CB 1.412 28 residues pruned to eliminate duplicates Z: 11 9.755 1.680 0.218 0.838 0.900 0.800 CB 1.252 11 residues pruned to eliminate duplicates Z: 39 47.643 2.204 0.869 0.749 0.947 0.658 CB 1.586 39 residues pruned to eliminate duplicates Z: 16 30.195 2.032 0.860 0.872 0.933 0.800 CB 1.611 16 residues pruned to eliminate duplicates Z: 30 42.773 2.264 0.558 0.896 0.966 0.724 CA 1.671 30 residues pruned to eliminate duplicates Z: 50 29.507 1.959 0.522 0.644 0.918 0.612 CB 1.346 50 residues pruned to eliminate duplicates Z: 15 12.008 1.724 0.221 0.921 1.000 0.857 CB 1.073 15 residues pruned to eliminate duplicates Z: 14 11.090 1.747 0.026 0.904 1.000 1.000 CB 1.222 14 residues pruned to eliminate duplicates Z: 16 26.132 1.897 0.664 0.901 1.000 0.933 CA 1.525 16 residues pruned to eliminate duplicates Z: 26 35.476 2.285 1.246 0.588 0.920 0.440 CB 1.382 26 residues pruned to eliminate duplicates Z: 20 14.338 2.137 0.560 0.279 0.895 0.368 CB 1.416 20 residues pruned to eliminate duplicates Z: 15 13.614 1.684 0.576 0.744 0.929 0.714 CB 1.187 14 residues pruned to eliminate duplicates Z: 11 16.271 1.849 0.439 0.901 1.000 0.900 CA 1.380 11 residues pruned to eliminate duplicates Z: 44 24.552 1.954 0.412 0.584 0.884 0.581 CB 1.417 43 residues pruned to eliminate duplicates Z: 17 12.082 1.737 0.454 0.638 0.938 0.625 CB 1.120 17 residues pruned to eliminate duplicates Z: 53 29.678 2.001 0.554 0.510 0.923 0.577 CB 1.421 53 residues pruned to eliminate duplicates Z: 48 52.108 2.186 0.708 0.813 0.957 0.851 CA 1.619 48 residues pruned to eliminate duplicates Z: 7 17.074 1.899 0.960 0.898 1.000 0.833 N 1.339 7 residues pruned to eliminate duplicates Z: 28 16.466 2.002 0.661 0.511 0.778 0.296 CB 1.212 28 residues pruned to eliminate duplicates Z: 15 16.544 1.865 0.344 0.875 0.929 0.857 CB 1.382 15 residues pruned to eliminate duplicates Z: 10 20.277 1.926 0.703 0.897 1.000 0.778 CA 1.475 11 residues pruned to eliminate duplicates Z: 36 25.659 2.165 0.469 0.511 0.886 0.629 CB 1.522 36 residues pruned to eliminate duplicates Z: 48 28.261 1.956 0.441 0.623 0.936 0.553 CB 1.391 48 residues pruned to eliminate duplicates Z: 27 21.338 2.057 0.251 0.666 0.962 0.731 CB 1.451 27 residues pruned to eliminate duplicates Z: 15 12.142 2.156 0.389 0.322 0.857 0.214 CA 1.537 15 residues pruned to eliminate duplicates Z: 10 8.930 1.997 0.216 0.502 0.889 0.667 CB 1.375 10 residues pruned to eliminate duplicates Z: 7 6.332 1.945 0.336 0.593 0.833 0.833 CB 1.093 Z: 27 33.337 2.212 0.763 0.749 0.885 0.731 CA 1.517 27 residues pruned to eliminate duplicates Z: 17 30.483 1.887 0.908 0.915 1.000 0.688 CB 1.496 17 residues pruned to eliminate duplicates Z: 47 28.879 2.027 0.592 0.525 0.913 0.652 CB 1.410 47 residues pruned to eliminate duplicates Z: 7 5.330 1.685 0.419 0.615 0.667 0.667 CB 1.225 Z: 8 7.361 1.595 0.266 0.745 1.000 0.714 CB 1.106 8 residues pruned to eliminate duplicates Z: 9 11.239 1.649 0.494 0.685 1.000 0.500 CA 1.361 9 residues pruned to eliminate duplicates Z: 23 24.759 2.020 0.715 0.673 0.909 0.727 CB 1.429 23 residues pruned to eliminate duplicates Z: 12 10.303 1.659 0.220 0.863 1.000 0.909 CB 1.126 11 residues pruned to eliminate duplicates Z: 16 15.933 1.827 0.073 0.927 1.000 0.933 CA 1.470 16 residues pruned to eliminate duplicates Z: 16 20.312 2.303 0.664 0.373 0.933 0.533 CB 1.680 16 residues pruned to eliminate duplicates Z: 15 8.366 1.662 0.398 0.418 0.857 0.357 CB 1.222 15 residues pruned to eliminate duplicates Z: 19 9.227 1.860 0.620 0.328 0.778 0.556 CB 1.121 19 residues pruned to eliminate duplicates Z: 18 9.926 1.824 0.509 0.498 0.706 0.353 CB 1.241 18 residues pruned to eliminate duplicates Z: 12 8.040 1.909 0.373 0.485 0.727 0.455 CB 1.291 12 residues pruned to eliminate duplicates Z: 18 19.640 1.845 0.891 0.833 0.824 0.294 CB 1.243 16 residues pruned to eliminate duplicates Z: 26 14.910 1.971 0.559 0.476 0.840 0.360 CB 1.184 26 residues pruned to eliminate duplicates Z: 36 17.585 1.784 0.501 0.458 0.829 0.543 CB 1.398 36 residues pruned to eliminate duplicates Z: 21 24.005 1.893 0.705 0.862 0.850 0.550 CA 1.436 21 residues pruned to eliminate duplicates Z: 10 7.761 1.597 0.440 0.799 0.889 0.667 CB 0.974 10 residues pruned to eliminate duplicates 6 1.877 1.796 0.578 0.292 0.800 0.400 CB 0.467 ? Z: 24 20.986 1.793 0.379 0.925 1.000 0.957 CB 1.242 23 residues pruned to eliminate duplicates Z: 31 24.888 2.104 0.520 0.546 0.900 0.533 CB 1.509 31 residues pruned to eliminate duplicates Z: 20 24.029 1.821 0.652 0.791 0.947 0.789 CA 1.499 20 residues pruned to eliminate duplicates Z: 8 11.836 1.709 0.857 0.809 0.857 0.714 CB 1.256 8 residues pruned to eliminate duplicates Z: 11 9.736 1.685 0.355 0.858 0.900 0.500 CB 1.104 11 residues pruned to eliminate duplicates Z: 6 2.672 1.578 0.092 0.460 0.600 0.400 O 1.204 Z: 12 7.666 1.861 0.210 0.453 0.909 0.636 CB 1.185 12 residues pruned to eliminate duplicates Z: 51 31.509 2.009 0.708 0.532 0.920 0.600 CB 1.368 51 residues pruned to eliminate duplicates Z: 19 25.789 2.041 0.624 0.834 0.944 0.889 CB 1.456 19 residues pruned to eliminate duplicates Z: 7 6.212 1.740 0.016 0.833 1.000 1.000 CB 1.077 Z: 11 27.555 2.149 1.055 0.919 0.900 0.700 CB 1.545 11 residues pruned to eliminate duplicates Z: 11 13.533 1.807 0.590 0.638 1.000 0.700 CB 1.309 11 residues pruned to eliminate duplicates Z: 12 7.425 1.818 0.466 0.271 0.909 0.636 CB 1.198 12 residues pruned to eliminate duplicates Z: 10 3.910 1.588 0.371 0.520 0.778 0.556 CB 0.755 10 residues pruned to eliminate duplicates Z: 7 5.357 1.571 0.444 0.821 0.833 0.667 CB 0.875 7 residues pruned to eliminate duplicates Z: 29 19.785 1.850 0.505 0.662 0.893 0.679 CB 1.293 29 residues pruned to eliminate duplicates Z: 27 38.145 2.023 0.916 0.828 0.962 0.462 CB 1.512 27 residues pruned to eliminate duplicates Z: 19 19.807 1.681 0.501 0.904 1.000 0.611 CB 1.317 19 residues pruned to eliminate duplicates Z: 59 18.060 1.957 0.354 0.325 0.828 0.448 CB 1.310 59 residues pruned to eliminate duplicates Z: 21 12.903 1.816 0.430 0.520 0.850 0.400 CB 1.282 23 residues pruned to eliminate duplicates Z: 13 12.611 1.871 0.283 0.873 0.917 0.833 CB 1.204 13 residues pruned to eliminate duplicates Z: 16 28.034 2.148 0.638 0.875 0.933 0.800 CA 1.602 16 residues pruned to eliminate duplicates Z: 9 8.404 1.588 1.036 0.664 0.875 0.500 CB 0.902 9 residues pruned to eliminate duplicates Z: 16 7.759 1.724 0.240 0.474 0.867 0.600 CB 1.110 16 residues pruned to eliminate duplicates Z: 11 10.142 1.830 0.125 0.880 1.000 1.000 CB 1.129 11 residues pruned to eliminate duplicates Z: 51 30.800 2.177 0.788 0.473 0.820 0.500 CB 1.402 51 residues pruned to eliminate duplicates Z: 6 2.250 1.410 0.736 0.387 0.600 0.600 N 0.773 Z: 28 24.972 1.893 0.416 0.735 0.926 0.852 CA 1.567 28 residues pruned to eliminate duplicates Z: 6 4.035 1.481 -0.100 0.727 1.000 0.800 CB 1.104 6 residues pruned to eliminate duplicates Z: 23 24.184 1.835 0.818 0.915 1.000 0.773 CB 1.092 23 residues pruned to eliminate duplicates Z: 9 4.058 1.565 0.553 0.294 0.750 0.500 CB 0.992 Z: 21 35.417 2.171 0.702 0.897 0.950 0.850 CA 1.615 21 residues pruned to eliminate duplicates Z: 23 29.959 2.095 0.647 0.870 0.909 0.773 CB 1.486 23 residues pruned to eliminate duplicates Z: 20 13.394 2.064 0.423 0.448 0.842 0.579 CB 1.309 20 residues pruned to eliminate duplicates Z: 6 4.312 1.618 0.177 0.751 1.000 0.800 CB 0.809 Z: 20 9.997 1.767 0.248 0.457 1.000 0.526 CB 1.087 20 residues pruned to eliminate duplicates Z: 17 14.808 1.940 0.573 0.541 0.875 0.562 CB 1.332 17 residues pruned to eliminate duplicates Z: 7 19.474 1.752 1.278 0.886 1.000 1.000 CA 1.438 7 residues pruned to eliminate duplicates Z: 71 40.091 1.993 0.733 0.653 0.886 0.529 CB 1.359 71 residues pruned to eliminate duplicates Z: 17 20.484 1.897 0.595 0.925 1.000 0.875 CB 1.187 17 residues pruned to eliminate duplicates Z: 23 19.023 1.815 0.480 0.871 1.000 0.909 CB 1.101 23 residues pruned to eliminate duplicates Z: 29 25.153 1.927 0.530 0.657 0.893 0.714 CA 1.560 29 residues pruned to eliminate duplicates Z: 11 4.722 1.476 0.390 0.328 0.900 0.600 CB 0.976 Z: 12 11.260 1.696 0.276 0.883 0.909 0.909 CB 1.247 12 residues pruned to eliminate duplicates Z: 37 33.120 1.974 0.795 0.724 0.889 0.472 CB 1.432 37 residues pruned to eliminate duplicates Z: 28 38.610 2.017 0.801 0.935 1.000 0.444 CB 1.426 28 residues pruned to eliminate duplicates Z: 13 15.330 1.998 0.622 0.587 0.917 0.750 CB 1.371 13 residues pruned to eliminate duplicates Z: 17 17.105 1.733 0.379 0.928 1.000 0.625 CB 1.252 17 residues pruned to eliminate duplicates Z: 26 27.903 2.026 0.557 0.719 0.960 0.560 CB 1.511 26 residues pruned to eliminate duplicates Z: 7 8.338 1.573 0.767 0.755 1.000 0.833 CB 0.976 7 residues pruned to eliminate duplicates Z: 27 18.812 1.961 0.479 0.526 0.923 0.538 CB 1.343 26 residues pruned to eliminate duplicates Z: 22 29.649 2.000 0.733 0.694 1.000 0.429 CB 1.563 22 residues pruned to eliminate duplicates Z: 11 16.686 1.786 0.504 0.893 1.000 0.900 CA 1.411 11 residues pruned to eliminate duplicates Z: 8 2.435 1.660 0.283 0.231 0.571 0.571 CB 1.035 8 residues pruned to eliminate duplicates Z: 9 18.198 1.935 0.690 0.882 1.000 1.000 CA 1.424 9 residues pruned to eliminate duplicates Z: 9 4.683 1.632 0.684 0.474 0.875 0.500 CB 0.707 9 residues pruned to eliminate duplicates Z: 9 3.845 1.391 0.467 0.461 0.625 0.500 N 1.109 Z: 14 30.383 1.946 0.850 0.946 1.000 0.769 CA 1.619 14 residues pruned to eliminate duplicates Z: 6 7.084 1.835 0.360 0.667 1.000 1.000 CB 1.088 7 residues pruned to eliminate duplicates Z: 14 25.492 2.020 0.547 0.927 1.000 0.769 CB 1.585 14 residues pruned to eliminate duplicates Z: 7 2.939 1.761 0.087 0.303 0.833 0.500 CB 0.936 Z: 8 9.777 1.699 0.343 0.808 1.000 0.571 CA 1.238 8 residues pruned to eliminate duplicates Z: 51 28.952 2.115 0.634 0.428 0.900 0.640 CB 1.418 51 residues pruned to eliminate duplicates Z: 33 26.349 1.985 0.668 0.720 0.875 0.531 CB 1.318 33 residues pruned to eliminate duplicates Z: 7 2.426 1.700 -0.133 0.368 0.833 0.667 CB 0.929 Z: 24 14.234 1.694 0.295 0.715 0.913 0.652 CB 1.220 20 residues pruned to eliminate duplicates Z: 15 22.633 1.901 0.986 0.869 0.929 0.714 CB 1.261 15 residues pruned to eliminate duplicates 6 1.821 1.472 -0.367 0.795 1.000 0.800 CB 0.675 ? Z: 10 6.341 1.894 0.193 0.393 0.889 0.778 CB 1.178 10 residues pruned to eliminate duplicates Z: 8 5.939 1.651 0.728 0.386 0.857 0.286 CA 1.036 8 residues pruned to eliminate duplicates Z: 8 5.602 1.615 0.385 0.770 0.714 0.571 CB 1.043 8 residues pruned to eliminate duplicates Z: 37 31.406 1.979 0.460 0.724 0.972 0.833 CB 1.522 37 residues pruned to eliminate duplicates Z: 30 34.946 2.066 0.915 0.652 0.966 0.690 CB 1.475 30 residues pruned to eliminate duplicates Z: 31 24.511 1.956 0.473 0.657 0.933 0.700 CB 1.438 31 residues pruned to eliminate duplicates Z: 45 25.308 2.069 0.708 0.461 0.795 0.477 CB 1.412 58 residues pruned to eliminate duplicates Z: 26 24.188 1.888 0.621 0.723 0.960 0.600 CB 1.347 26 residues pruned to eliminate duplicates Z: 41 25.446 1.960 0.552 0.535 0.900 0.625 CB 1.421 41 residues pruned to eliminate duplicates Z: 19 15.433 1.781 0.778 0.909 0.889 0.500 CB 0.917 19 residues pruned to eliminate duplicates Z: 27 20.586 1.859 0.601 0.689 0.885 0.692 CB 1.290 27 residues pruned to eliminate duplicates Z: 14 10.021 1.719 0.657 0.375 0.846 0.615 CB 1.317 10 residues pruned to eliminate duplicates Z: 6 4.296 1.735 0.320 0.432 0.800 0.600 O 1.125 7 residues pruned to eliminate duplicates Z: 23 12.825 1.951 0.505 0.369 0.864 0.364 CB 1.240 23 residues pruned to eliminate duplicates Z: 17 19.494 1.886 0.320 0.925 1.000 1.000 CB 1.374 17 residues pruned to eliminate duplicates Z: 6 5.562 1.497 0.492 0.463 1.000 0.600 N 1.156 Z: 18 17.669 1.849 0.635 0.854 0.765 0.647 CB 1.369 18 residues pruned to eliminate duplicates Z: 60 31.858 1.971 0.668 0.678 0.915 0.441 CB 1.170 60 residues pruned to eliminate duplicates Z: 29 48.699 2.056 0.957 0.914 1.000 0.643 CA 1.617 29 residues pruned to eliminate duplicates Z: 38 23.464 2.128 0.607 0.474 0.865 0.622 CB 1.339 38 residues pruned to eliminate duplicates Z: 12 9.084 1.541 0.708 0.812 0.727 0.455 CB 1.091 12 residues pruned to eliminate duplicates Z: 6 3.626 1.381 -0.137 0.757 1.000 0.600 CA 1.082 Z: 12 13.306 2.011 0.289 0.852 0.909 0.818 CB 1.259 12 residues pruned to eliminate duplicates Z: 15 31.543 2.142 0.855 0.899 0.929 0.643 CB 1.633 15 residues pruned to eliminate duplicates Z: 16 13.187 1.672 0.122 0.912 1.000 0.800 CB 1.285 16 residues pruned to eliminate duplicates Z: 16 18.244 1.876 0.738 0.608 0.867 0.600 CB 1.505 16 residues pruned to eliminate duplicates Z: 6 5.707 1.820 0.091 0.865 1.000 1.000 CB 0.942 6 residues pruned to eliminate duplicates Z: 7 2.140 1.444 0.524 0.400 0.833 0.833 CB 0.529 Z: 19 14.143 2.092 0.561 0.372 0.833 0.500 CB 1.406 19 residues pruned to eliminate duplicates Z: 20 27.735 2.057 0.603 0.778 0.947 0.684 CB 1.594 20 residues pruned to eliminate duplicates Z: 8 2.378 1.266 0.117 0.501 0.714 0.429 CB 0.889 Z: 13 25.874 1.915 0.947 0.924 1.000 0.583 CB 1.407 13 residues pruned to eliminate duplicates Z: 17 19.359 1.830 0.323 0.812 1.000 0.938 CA 1.524 17 residues pruned to eliminate duplicates Z: 12 18.119 2.105 0.540 0.813 0.818 0.636 CA 1.569 12 residues pruned to eliminate duplicates Z: 16 11.982 1.887 0.330 0.457 0.933 0.600 CB 1.381 16 residues pruned to eliminate duplicates Z: 9 6.017 1.967 0.355 0.529 0.750 0.625 CB 1.034 9 residues pruned to eliminate duplicates Z: 7 13.545 1.890 0.548 0.845 1.000 0.833 CA 1.406 7 residues pruned to eliminate duplicates Z: 10 13.082 1.700 0.623 0.870 1.000 0.667 CB 1.153 11 residues pruned to eliminate duplicates 6 1.753 1.489 0.384 0.317 0.400 0.400 C 1.164 ? Z: 6 3.248 1.844 0.416 0.453 0.800 0.800 CB 0.730 Z: 14 15.887 1.861 0.288 0.899 1.000 0.846 CB 1.314 14 residues pruned to eliminate duplicates Z: 9 9.692 1.804 0.821 0.732 0.625 0.500 N 1.355 9 residues pruned to eliminate duplicates Z: 17 10.847 1.834 0.612 0.460 0.812 0.562 CB 1.175 17 residues pruned to eliminate duplicates Z: 48 26.338 2.054 0.786 0.473 0.830 0.489 CB 1.297 48 residues pruned to eliminate duplicates Z: 8 5.926 1.635 0.026 0.640 0.857 0.714 CA 1.367 8 residues pruned to eliminate duplicates Z: 21 15.388 1.947 0.581 0.498 0.850 0.500 CB 1.318 21 residues pruned to eliminate duplicates Z: 12 11.729 1.470 0.529 0.880 1.000 1.000 CB 1.140 Z: 7 2.455 1.552 0.207 0.247 0.667 0.500 CB 1.075 Z: 11 8.122 1.578 0.448 0.842 0.900 0.800 CB 0.931 11 residues pruned to eliminate duplicates Z: 7 4.457 1.355 0.851 0.251 0.833 0.333 N 1.160 7 residues pruned to eliminate duplicates Z: 11 14.211 1.782 0.892 0.757 0.900 0.500 CB 1.179 11 residues pruned to eliminate duplicates 6 0.686 1.340 0.373 0.298 0.600 0.400 CB 0.348 ? Z: 7 4.546 1.629 0.339 0.467 0.667 0.500 O 1.319 Z: 13 20.335 2.117 0.433 0.800 0.917 0.583 CB 1.623 13 residues pruned to eliminate duplicates Z: 13 9.352 1.644 0.158 0.821 1.000 0.917 CB 1.073 13 residues pruned to eliminate duplicates Z: 34 29.940 1.981 0.800 0.710 0.848 0.636 CB 1.424 34 residues pruned to eliminate duplicates Z: 17 12.278 1.727 0.060 0.837 0.938 0.812 CB 1.338 16 residues pruned to eliminate duplicates Z: 6 4.098 1.879 -0.135 0.270 1.000 0.400 CB 1.464 6 residues pruned to eliminate duplicates Z: 13 23.227 1.810 0.898 0.898 1.000 0.667 CA 1.396 13 residues pruned to eliminate duplicates Z: 6 6.475 1.768 0.334 0.834 0.800 0.800 CB 1.151 6 residues pruned to eliminate duplicates Z: 19 11.988 1.730 0.457 0.526 0.778 0.222 CB 1.404 19 residues pruned to eliminate duplicates Z: 26 17.358 1.835 0.554 0.569 0.760 0.360 CB 1.498 30 residues pruned to eliminate duplicates Z: 34 21.386 2.102 0.905 0.345 0.758 0.515 CB 1.453 34 residues pruned to eliminate duplicates Z: 16 19.114 1.861 0.406 0.845 0.933 0.867 CB 1.503 16 residues pruned to eliminate duplicates Z: 8 15.271 1.907 0.985 0.873 0.857 0.714 CB 1.295 8 residues pruned to eliminate duplicates Z: 50 22.944 1.969 0.576 0.458 0.918 0.531 CB 1.201 50 residues pruned to eliminate duplicates Z: 74 39.961 1.993 0.655 0.668 0.918 0.644 CB 1.323 74 residues pruned to eliminate duplicates Z: 10 7.882 1.708 0.242 0.806 1.000 0.667 CB 0.948 10 residues pruned to eliminate duplicates Z: 19 16.245 1.662 0.445 0.886 1.000 0.833 CB 1.150 19 residues pruned to eliminate duplicates Z: 11 9.207 1.484 0.468 0.760 0.900 0.700 O 1.180 11 residues pruned to eliminate duplicates Z: 45 30.152 1.946 0.589 0.650 0.909 0.432 CB 1.407 45 residues pruned to eliminate duplicates Z: 9 8.745 1.673 0.554 0.716 0.875 0.625 CA 1.117 9 residues pruned to eliminate duplicates Z: 15 9.201 1.487 0.658 0.769 0.929 0.857 CB 0.847 15 residues pruned to eliminate duplicates Z: 9 14.425 1.846 0.578 0.819 0.875 0.375 CA 1.516 9 residues pruned to eliminate duplicates Z: 39 20.150 1.786 0.603 0.671 0.868 0.579 CB 1.123 39 residues pruned to eliminate duplicates Z: 9 8.632 1.740 0.436 0.784 0.875 0.625 CB 1.086 9 residues pruned to eliminate duplicates Z: 7 10.001 1.814 0.341 0.829 1.000 1.000 CB 1.262 7 residues pruned to eliminate duplicates Z: 37 28.627 1.920 0.439 0.723 0.972 0.778 CB 1.452 37 residues pruned to eliminate duplicates Z: 7 7.722 1.780 0.223 0.743 1.000 1.000 CB 1.164 7 residues pruned to eliminate duplicates Z: 6 4.501 1.693 -0.014 0.769 1.000 0.600 CB 0.950 6 residues pruned to eliminate duplicates Z: 29 41.978 2.030 0.949 0.936 0.929 0.643 CB 1.504 29 residues pruned to eliminate duplicates Z: 36 22.975 1.931 0.519 0.500 0.914 0.600 CB 1.449 36 residues pruned to eliminate duplicates Z: 23 10.237 1.590 0.427 0.447 0.955 0.455 CB 1.063 18 residues pruned to eliminate duplicates Z: 93 52.049 2.227 0.698 0.611 0.859 0.620 CB 1.504 93 residues pruned to eliminate duplicates Z: 60 31.020 2.019 0.441 0.554 0.898 0.627 CB 1.467 60 residues pruned to eliminate duplicates Z: 15 23.035 2.101 0.444 0.919 1.000 0.857 CB 1.431 15 residues pruned to eliminate duplicates Z: 7 2.060 1.466 0.279 0.287 1.000 0.500 CB 0.570 Z: 7 7.424 1.647 0.444 0.671 1.000 0.500 CA 1.088 Z: 9 4.361 1.953 0.588 0.214 0.750 0.375 CB 0.929 9 residues pruned to eliminate duplicates Z: 8 7.075 1.881 0.428 0.709 0.857 0.714 CB 0.961 8 residues pruned to eliminate duplicates Z: 20 15.934 1.780 0.451 0.793 0.947 0.474 CB 1.155 20 residues pruned to eliminate duplicates Z: 6 3.106 1.445 0.194 0.435 0.800 0.800 CA 1.076 6 1.134 1.870 -0.214 0.235 0.800 0.600 CB 0.587 ? Z: 10 5.908 1.509 0.688 0.284 0.778 0.333 N 1.267 Z: 9 11.820 1.916 0.394 0.699 1.000 0.875 CB 1.305 9 residues pruned to eliminate duplicates Z: 10 16.977 1.879 0.770 0.886 0.889 0.778 CA 1.381 10 residues pruned to eliminate duplicates Z: 20 19.721 1.780 0.811 0.927 0.947 0.421 CB 1.039 20 residues pruned to eliminate duplicates Z: 16 20.901 1.909 0.680 0.844 0.933 0.600 CB 1.342 16 residues pruned to eliminate duplicates Z: 8 4.206 1.682 0.083 0.658 1.000 0.857 CB 0.754 Z: 7 5.393 1.587 0.736 0.877 0.833 0.500 CB 0.696 7 residues pruned to eliminate duplicates Z: 31 40.134 2.191 0.812 0.689 0.967 0.800 CA 1.606 31 residues pruned to eliminate duplicates Z: 8 12.028 1.832 0.267 0.866 1.000 0.857 N 1.434 8 residues pruned to eliminate duplicates Z: 6 3.712 1.339 0.295 0.497 1.000 0.600 CB 0.960 Z: 11 20.270 1.775 0.813 0.935 1.000 0.800 CB 1.389 11 residues pruned to eliminate duplicates Z: 16 24.830 1.884 0.574 0.888 1.000 0.533 CA 1.556 16 residues pruned to eliminate duplicates Z: 7 5.201 1.465 0.593 0.369 1.000 0.333 N 1.047 Z: 16 17.588 2.078 0.471 0.432 1.000 0.467 CB 1.593 16 residues pruned to eliminate duplicates Z: 16 8.996 1.684 0.507 0.393 0.800 0.600 CB 1.281 16 residues pruned to eliminate duplicates Z: 11 10.971 1.641 0.303 0.868 1.000 0.900 CB 1.186 10 residues pruned to eliminate duplicates Z: 17 21.142 1.892 0.545 0.872 0.875 0.688 CA 1.506 17 residues pruned to eliminate duplicates Z: 15 27.675 2.036 0.776 0.868 1.000 0.857 CA 1.495 22 residues pruned to eliminate duplicates Z: 17 29.111 1.951 0.730 0.902 1.000 0.938 CA 1.539 17 residues pruned to eliminate duplicates Z: 36 21.431 1.793 0.740 0.594 0.886 0.600 CB 1.198 49 residues pruned to eliminate duplicates Z: 70 39.180 2.029 0.662 0.630 0.913 0.580 CB 1.356 70 residues pruned to eliminate duplicates Z: 7 3.303 1.420 0.561 0.329 0.833 0.500 CB 0.880 Z: 16 26.241 2.058 0.491 0.901 0.933 0.933 CA 1.688 16 residues pruned to eliminate duplicates Z: 7 8.022 1.799 0.563 0.804 0.667 0.500 CB 1.339 7 residues pruned to eliminate duplicates Z: 11 12.018 1.696 0.418 0.902 1.000 0.900 CB 1.126 11 residues pruned to eliminate duplicates Z: 36 47.510 2.103 0.898 0.799 0.971 0.800 CA 1.595 36 residues pruned to eliminate duplicates Z: 22 35.295 2.070 0.869 0.896 0.952 0.714 CB 1.498 22 residues pruned to eliminate duplicates Z: 30 21.568 1.930 0.463 0.618 0.828 0.586 CB 1.534 30 residues pruned to eliminate duplicates Z: 7 20.242 1.939 1.126 0.845 1.000 0.833 CB 1.490 7 residues pruned to eliminate duplicates Z: 8 8.024 1.724 0.478 0.458 1.000 0.571 CB 1.242 Z: 12 11.923 1.791 0.335 0.871 0.909 0.818 CA 1.206 12 residues pruned to eliminate duplicates Z: 7 15.106 2.067 0.668 0.729 1.000 0.667 CB 1.455 7 residues pruned to eliminate duplicates Z: 6 2.673 1.773 -0.347 0.592 0.800 0.600 N 1.182 Z: 10 2.366 1.515 0.239 0.165 0.667 0.222 CB 0.947 Z: 6 3.862 1.695 0.516 0.456 0.600 0.400 CB 1.172 6 residues pruned to eliminate duplicates Z: 16 14.676 1.646 1.082 0.928 0.933 0.400 CB 0.829 15 residues pruned to eliminate duplicates Z: 16 8.845 1.701 0.291 0.446 0.867 0.600 CB 1.269 16 residues pruned to eliminate duplicates Z: 11 11.596 1.707 0.380 0.883 1.000 0.700 CB 1.126 11 residues pruned to eliminate duplicates Z: 7 2.399 1.164 0.591 0.501 0.833 0.500 CB 0.634 Z: 6 4.884 1.715 0.066 0.759 1.000 0.400 CA 0.949 6 residues pruned to eliminate duplicates Z: 17 16.033 1.833 0.497 0.649 0.938 0.625 CB 1.357 17 residues pruned to eliminate duplicates Z: 13 22.453 2.007 0.747 0.875 0.917 0.667 CA 1.467 13 residues pruned to eliminate duplicates Z: 11 11.261 1.780 0.748 0.885 0.900 0.700 CB 0.918 11 residues pruned to eliminate duplicates Z: 19 4.898 1.802 0.350 0.162 0.778 0.444 CB 0.922 19 residues pruned to eliminate duplicates Z: 42 30.505 2.244 0.581 0.437 0.902 0.512 CB 1.588 42 residues pruned to eliminate duplicates 7 1.616 1.389 0.527 0.332 0.667 0.500 CB 0.561 ? Z: 10 7.861 1.732 0.143 0.598 1.000 0.667 CB 1.205 10 residues pruned to eliminate duplicates Z: 12 14.630 1.750 0.494 0.825 0.909 0.727 CB 1.400 12 residues pruned to eliminate duplicates Z: 12 20.453 2.132 0.412 0.717 0.909 0.727 CB 1.852 12 residues pruned to eliminate duplicates Z: 10 11.160 1.819 0.446 0.918 1.000 1.000 CB 0.997 10 residues pruned to eliminate duplicates Z: 13 23.771 2.101 0.680 0.829 1.000 0.583 CB 1.464 13 residues pruned to eliminate duplicates Z: 8 2.322 1.738 0.015 0.309 0.714 0.429 CB 0.861 Z: 16 21.851 2.021 0.378 0.870 0.933 0.733 CB 1.583 16 residues pruned to eliminate duplicates Z: 8 2.703 1.609 -0.080 0.337 0.857 0.571 CB 0.962 Z: 6 2.308 1.112 0.165 0.683 1.000 1.000 CA 0.673 Z: 7 2.549 1.502 0.356 0.469 0.833 0.500 CB 0.633 Z: 14 6.687 1.716 0.282 0.407 0.769 0.538 CB 1.208 14 residues pruned to eliminate duplicates Z: 10 5.200 1.701 0.236 0.517 1.000 0.444 CB 0.811 7 residues pruned to eliminate duplicates Z: 29 25.515 2.014 0.500 0.656 0.929 0.679 CB 1.486 29 residues pruned to eliminate duplicates Z: 16 21.245 2.041 0.317 0.904 1.000 0.800 CB 1.454 16 residues pruned to eliminate duplicates Z: 9 6.521 1.671 0.541 0.341 0.875 0.875 CB 1.216 9 residues pruned to eliminate duplicates Z: 10 12.407 1.800 0.193 0.903 1.000 0.889 CB 1.372 10 residues pruned to eliminate duplicates Z: 6 3.293 1.534 0.416 0.472 0.800 0.400 CB 0.872 Z: 6 3.575 1.442 0.281 0.671 1.000 0.800 CB 0.739 Z: 11 7.102 1.686 0.485 0.407 0.800 0.800 CB 1.237 Z: 8 11.101 1.876 0.425 0.627 0.857 0.714 CA 1.625 8 residues pruned to eliminate duplicates Z: 7 3.316 1.686 0.133 0.296 0.833 0.500 CB 1.069 7 residues pruned to eliminate duplicates Z: 8 2.204 1.180 0.221 0.399 0.714 0.571 C 0.899 Z: 24 16.331 1.849 0.685 0.607 0.826 0.348 CB 1.196 24 residues pruned to eliminate duplicates Z: 30 36.060 1.975 0.689 0.891 0.966 0.586 CB 1.494 30 residues pruned to eliminate duplicates Z: 6 2.360 1.329 0.221 0.380 1.000 0.400 CB 0.739 Z: 8 3.254 1.540 0.085 0.745 0.857 0.714 CB 0.689 6 1.088 1.349 0.161 0.162 0.600 0.400 N 0.783 ? Z: 11 7.984 1.476 0.428 0.817 0.900 0.800 CB 1.010 11 residues pruned to eliminate duplicates Z: 9 12.001 1.812 0.569 0.824 0.875 0.500 CB 1.288 9 residues pruned to eliminate duplicates Z: 8 6.844 1.770 -0.020 0.841 1.000 0.857 CB 1.112 8 residues pruned to eliminate duplicates Z: 38 29.463 2.012 0.458 0.724 0.946 0.811 CB 1.426 38 residues pruned to eliminate duplicates Z: 11 10.281 1.823 0.588 0.483 0.900 0.700 CB 1.270 24 residues pruned to eliminate duplicates Z: 7 3.619 1.407 0.513 0.382 0.667 0.500 O 1.180 Z: 41 19.069 2.052 0.605 0.324 0.875 0.425 CB 1.270 41 residues pruned to eliminate duplicates Z: 16 25.876 1.850 0.780 0.912 1.000 0.600 N 1.437 16 residues pruned to eliminate duplicates Z: 38 44.202 2.202 1.062 0.651 1.000 0.730 CB 1.391 38 residues pruned to eliminate duplicates Z: 17 9.469 1.589 0.436 0.555 0.938 0.562 CB 1.049 16 residues pruned to eliminate duplicates Z: 8 14.025 1.995 0.274 0.811 1.000 0.857 CB 1.591 8 residues pruned to eliminate duplicates Z: 11 8.883 1.696 0.666 0.884 1.000 0.300 CB 0.718 11 residues pruned to eliminate duplicates Z: 7 3.749 1.606 0.167 0.670 0.833 0.667 CB 0.837 7 residues pruned to eliminate duplicates Z: 45 30.692 2.029 0.674 0.556 0.932 0.568 CB 1.385 45 residues pruned to eliminate duplicates Z: 6 5.841 1.575 0.502 0.847 1.000 1.000 CB 0.820 6 residues pruned to eliminate duplicates Z: 6 6.850 1.699 0.352 0.663 0.800 0.600 N 1.434 Z: 11 12.867 1.951 0.399 0.616 0.900 0.800 CA 1.484 11 residues pruned to eliminate duplicates Z: 31 53.115 2.132 1.247 0.910 0.967 0.500 CB 1.486 31 residues pruned to eliminate duplicates Z: 40 41.590 2.150 1.008 0.713 0.923 0.538 CB 1.378 40 residues pruned to eliminate duplicates Z: 10 4.151 1.626 -0.020 0.482 0.889 0.444 CB 0.995 Z: 18 12.386 1.808 0.642 0.325 0.941 0.529 CB 1.303 18 residues pruned to eliminate duplicates Z: 7 2.814 1.566 0.493 0.659 0.833 0.500 CB 0.509 7 residues pruned to eliminate duplicates Z: 6 4.568 1.362 0.439 0.411 1.000 0.400 C 1.145 Z: 26 23.690 2.116 0.580 0.550 0.960 0.640 CB 1.406 26 residues pruned to eliminate duplicates Z: 6 8.568 1.718 0.346 0.864 1.000 0.800 CA 1.215 6 residues pruned to eliminate duplicates Z: 30 27.106 2.011 0.612 0.648 0.931 0.690 CB 1.453 30 residues pruned to eliminate duplicates Z: 6 2.139 1.464 0.131 0.447 0.600 0.400 CB 1.017 Z: 9 12.509 2.283 0.103 0.760 0.875 0.500 CB 1.592 9 residues pruned to eliminate duplicates Z: 20 19.052 1.602 0.665 0.877 0.947 0.737 CB 1.255 19 residues pruned to eliminate duplicates Z: 6 2.321 1.267 0.865 0.292 0.800 0.800 CB 0.693 Using tripeptides from previous cycle as seeds Z: 13 27.788 1.996 0.758 0.890 1.000 0.917 CA 1.645 13 residues pruned to eliminate duplicates Z: 16 16.140 1.903 0.672 0.628 0.933 0.533 CB 1.244 16 residues pruned to eliminate duplicates Z: 14 16.490 1.982 0.598 0.731 0.923 0.846 CB 1.271 11 residues pruned to eliminate duplicates Z: 14 24.113 1.857 0.745 0.865 1.000 0.846 CA 1.512 15 residues pruned to eliminate duplicates Z: 14 20.913 1.796 0.727 0.868 1.000 0.923 CA 1.366 14 residues pruned to eliminate duplicates Z: 12 23.936 2.091 0.990 0.825 0.909 0.818 CB 1.440 12 residues pruned to eliminate duplicates Z: 18 21.694 1.927 0.982 0.562 0.941 0.529 CB 1.379 15 residues pruned to eliminate duplicates Z: 13 31.419 2.010 0.997 0.896 1.000 0.583 CA 1.619 17 residues pruned to eliminate duplicates Z: 12 27.097 1.981 1.011 0.908 1.000 0.455 CB 1.457 13 residues pruned to eliminate duplicates Z: 13 26.491 2.012 0.931 0.846 0.917 0.750 CA 1.596 12 residues pruned to eliminate duplicates Z: 14 27.492 1.920 1.123 0.806 0.923 0.615 CB 1.552 14 residues pruned to eliminate duplicates Z: 12 5.233 1.808 0.367 0.450 0.818 0.545 CB 0.821 11 residues pruned to eliminate duplicates Z: 6 3.371 1.621 0.425 0.296 0.600 0.000 CB 1.367 6 residues pruned to eliminate duplicates Z: 6 5.829 1.882 0.252 0.479 0.800 0.400 CA 1.412 7 residues pruned to eliminate duplicates Z: 7 8.155 1.762 0.456 0.719 1.000 0.833 CB 1.065 7 residues pruned to eliminate duplicates Z: 30 23.316 1.980 0.683 0.639 0.862 0.517 CB 1.323 38 residues pruned to eliminate duplicates Z: 6 8.757 1.796 0.412 0.799 1.000 0.800 CB 1.189 Z: 8 8.631 1.697 0.202 0.741 1.000 0.571 CB 1.288 6 residues pruned to eliminate duplicates Z: 7 14.152 2.261 0.490 0.560 1.000 0.667 CB 1.618 7 residues pruned to eliminate duplicates Z: 62 35.715 2.166 0.647 0.466 0.934 0.557 CB 1.421 62 residues pruned to eliminate duplicates Z: 53 31.905 2.165 0.690 0.434 0.885 0.462 CB 1.464 53 residues pruned to eliminate duplicates Z: 9 12.283 2.070 0.861 0.421 0.875 0.625 CB 1.398 9 residues pruned to eliminate duplicates Z: 10 10.848 2.035 0.866 0.390 0.778 0.444 CB 1.375 10 residues pruned to eliminate duplicates Z: 19 12.027 1.840 0.781 0.377 0.944 0.556 CB 1.045 19 residues pruned to eliminate duplicates Z: 10 3.864 1.644 0.005 0.364 0.889 0.333 CB 1.015 10 residues pruned to eliminate duplicates Z: 11 4.782 1.570 0.054 0.523 0.900 0.500 CB 0.992 11 residues pruned to eliminate duplicates Z: 8 5.968 1.743 0.143 0.548 1.000 0.714 CB 1.081 8 residues pruned to eliminate duplicates Z: 8 5.957 1.713 0.093 0.452 1.000 0.714 CB 1.263 8 residues pruned to eliminate duplicates Z: 9 6.550 1.731 0.083 0.524 1.000 0.625 CB 1.206 9 residues pruned to eliminate duplicates Z: 16 8.055 1.690 0.220 0.537 0.867 0.533 CB 1.122 16 residues pruned to eliminate duplicates Z: 18 9.084 1.659 0.261 0.476 0.941 0.647 CB 1.146 18 residues pruned to eliminate duplicates Z: 19 9.576 1.713 0.217 0.540 0.889 0.667 CB 1.171 19 residues pruned to eliminate duplicates Z: 8 8.377 1.580 0.623 0.795 0.857 0.857 CB 1.112 8 residues pruned to eliminate duplicates Z: 21 8.307 1.639 0.198 0.499 0.850 0.650 CB 1.114 20 residues pruned to eliminate duplicates Z: 7 6.961 1.720 0.448 0.736 0.833 0.833 CB 1.108 7 residues pruned to eliminate duplicates Z: 19 9.989 1.692 0.246 0.555 0.944 0.833 CB 1.122 20 residues pruned to eliminate duplicates Z: 8 6.210 1.649 0.344 0.773 0.857 0.571 CB 0.970 9 residues pruned to eliminate duplicates Z: 6 7.305 1.613 0.796 0.732 1.000 0.800 CB 0.915 6 residues pruned to eliminate duplicates Z: 8 6.071 1.705 0.731 0.662 1.000 0.571 CB 0.669 8 residues pruned to eliminate duplicates Z: 9 7.792 1.675 0.633 0.672 1.000 0.375 CB 0.860 9 residues pruned to eliminate duplicates Z: 13 8.148 1.836 0.336 0.293 0.833 0.583 CB 1.451 13 residues pruned to eliminate duplicates Z: 19 9.003 1.741 0.485 0.363 0.778 0.611 CB 1.223 19 residues pruned to eliminate duplicates Z: 6 3.731 1.574 0.468 0.326 0.800 0.400 N 1.092 6 residues pruned to eliminate duplicates Z: 15 8.094 1.833 0.395 0.379 0.786 0.429 CB 1.225 15 residues pruned to eliminate duplicates Z: 12 9.711 1.888 0.287 0.429 0.818 0.455 O 1.586 12 residues pruned to eliminate duplicates 6 1.839 1.184 0.733 0.209 0.800 0.400 N 0.706 ? Z: 14 25.624 1.897 0.714 0.918 1.000 0.923 CB 1.542 14 residues pruned to eliminate duplicates Z: 15 19.845 1.843 0.613 0.875 0.929 0.714 CB 1.397 15 residues pruned to eliminate duplicates Z: 15 22.202 1.927 0.942 0.883 0.857 0.714 CB 1.338 15 residues pruned to eliminate duplicates Z: 15 25.894 1.914 0.867 0.855 1.000 0.643 CB 1.429 15 residues pruned to eliminate duplicates Z: 15 25.146 1.878 0.790 0.843 1.000 0.643 CA 1.489 16 residues pruned to eliminate duplicates Z: 15 28.296 1.882 0.894 0.926 1.000 0.714 CA 1.487 14 residues pruned to eliminate duplicates Z: 14 29.522 1.962 0.882 0.928 1.000 0.769 CA 1.553 14 residues pruned to eliminate duplicates Z: 14 25.128 1.928 0.910 0.879 0.923 0.846 CB 1.487 14 residues pruned to eliminate duplicates Z: 15 23.162 1.891 0.622 0.856 1.000 0.786 CB 1.489 15 residues pruned to eliminate duplicates Z: 14 22.802 1.948 0.742 0.866 0.923 0.846 CB 1.478 14 residues pruned to eliminate duplicates Z: 15 22.724 1.830 0.769 0.795 1.000 0.714 CB 1.448 15 residues pruned to eliminate duplicates Z: 14 24.361 1.961 0.599 0.905 1.000 0.692 CB 1.533 14 residues pruned to eliminate duplicates Z: 15 22.018 1.934 0.601 0.906 0.929 0.929 CB 1.455 15 residues pruned to eliminate duplicates Z: 9 6.455 1.643 0.472 0.419 0.875 0.625 CB 1.174 7 residues pruned to eliminate duplicates Z: 15 8.069 1.417 0.343 0.713 0.929 0.571 CB 1.006 11 residues pruned to eliminate duplicates Z: 12 7.171 1.495 0.115 0.886 1.000 0.727 CB 0.936 12 residues pruned to eliminate duplicates Z: 14 7.898 1.435 0.374 0.627 0.923 0.692 CB 1.068 18 residues pruned to eliminate duplicates Z: 7 8.835 1.382 0.832 0.897 1.000 0.833 CB 1.020 7 residues pruned to eliminate duplicates Z: 14 5.432 1.479 0.309 0.600 0.923 0.692 CB 0.766 14 residues pruned to eliminate duplicates Z: 12 6.015 1.439 0.308 0.600 0.818 0.545 CB 1.070 12 residues pruned to eliminate duplicates Z: 16 11.955 1.602 0.442 0.717 0.933 0.733 CB 1.176 16 residues pruned to eliminate duplicates Z: 10 11.870 1.544 0.509 0.870 1.000 0.667 CB 1.240 10 residues pruned to eliminate duplicates Z: 6 8.666 1.559 0.610 0.846 1.000 0.800 CB 1.147 6 residues pruned to eliminate duplicates Z: 13 9.886 1.496 0.387 0.741 0.917 0.583 CB 1.209 13 residues pruned to eliminate duplicates Z: 6 2.561 1.484 0.173 0.621 0.600 0.600 CB 0.979 6 residues pruned to eliminate duplicates Z: 30 32.864 2.183 0.820 0.539 0.966 0.586 CB 1.531 28 residues pruned to eliminate duplicates Z: 13 14.363 2.025 0.583 0.674 0.833 0.667 CA 1.323 13 residues pruned to eliminate duplicates Z: 20 16.117 2.083 0.646 0.407 0.895 0.474 CB 1.328 20 residues pruned to eliminate duplicates Z: 30 29.571 2.179 0.790 0.549 0.897 0.448 CB 1.497 30 residues pruned to eliminate duplicates Z: 33 28.165 2.098 0.699 0.508 0.938 0.500 CB 1.477 33 residues pruned to eliminate duplicates Z: 28 23.528 2.155 0.706 0.521 0.815 0.481 CB 1.481 28 residues pruned to eliminate duplicates Z: 28 31.434 2.216 0.815 0.520 0.963 0.407 CB 1.531 30 residues pruned to eliminate duplicates Z: 9 25.576 2.154 1.011 0.854 0.875 0.375 CB 1.762 9 residues pruned to eliminate duplicates Z: 34 24.073 2.112 0.604 0.459 0.879 0.485 CB 1.467 34 residues pruned to eliminate duplicates Z: 30 29.203 2.156 0.658 0.554 0.931 0.552 CB 1.547 30 residues pruned to eliminate duplicates Z: 30 30.375 2.152 0.806 0.549 0.897 0.552 CB 1.544 29 residues pruned to eliminate duplicates Z: 6 6.253 1.616 0.622 0.468 1.000 0.800 N 1.103 6 residues pruned to eliminate duplicates Z: 28 30.978 2.208 0.825 0.500 0.963 0.556 CB 1.537 28 residues pruned to eliminate duplicates Z: 17 15.390 2.080 0.653 0.465 0.875 0.562 CB 1.326 17 residues pruned to eliminate duplicates Z: 16 19.356 2.076 0.646 0.514 1.000 0.400 CB 1.443 16 residues pruned to eliminate duplicates Z: 18 16.066 2.021 0.609 0.510 0.882 0.529 CB 1.344 18 residues pruned to eliminate duplicates Z: 15 21.379 2.116 0.936 0.522 0.857 0.500 CB 1.592 15 residues pruned to eliminate duplicates Z: 23 16.512 1.929 0.665 0.407 0.864 0.409 CB 1.400 23 residues pruned to eliminate duplicates Z: 17 15.221 2.033 0.570 0.451 0.875 0.625 CB 1.434 17 residues pruned to eliminate duplicates Z: 31 16.793 2.034 0.648 0.456 0.733 0.533 CB 1.304 31 residues pruned to eliminate duplicates Z: 29 25.888 2.063 0.700 0.513 0.893 0.393 CB 1.542 29 residues pruned to eliminate duplicates Z: 51 30.635 2.159 0.710 0.467 0.860 0.500 CB 1.412 51 residues pruned to eliminate duplicates Z: 50 25.402 2.104 0.669 0.440 0.837 0.531 CB 1.314 50 residues pruned to eliminate duplicates Z: 52 28.172 2.135 0.476 0.493 0.863 0.569 CB 1.462 52 residues pruned to eliminate duplicates Z: 51 30.837 2.170 0.629 0.481 0.880 0.620 CB 1.429 56 residues pruned to eliminate duplicates Z: 11 15.586 1.800 0.623 0.781 1.000 0.700 CB 1.316 11 residues pruned to eliminate duplicates Z: 27 17.908 2.107 0.644 0.512 0.846 0.692 CB 1.184 27 residues pruned to eliminate duplicates Z: 39 25.680 2.126 0.666 0.453 0.868 0.632 CB 1.421 39 residues pruned to eliminate duplicates Z: 52 33.876 2.160 0.711 0.533 0.882 0.745 CB 1.408 52 residues pruned to eliminate duplicates Z: 30 17.276 1.951 0.622 0.434 0.828 0.586 CB 1.311 30 residues pruned to eliminate duplicates Z: 26 19.919 2.116 0.664 0.521 0.880 0.600 CB 1.259 26 residues pruned to eliminate duplicates Z: 52 30.131 2.131 0.581 0.518 0.882 0.647 CB 1.395 52 residues pruned to eliminate duplicates Z: 39 23.392 2.105 0.673 0.471 0.842 0.553 CB 1.318 39 residues pruned to eliminate duplicates Z: 25 22.219 2.136 0.771 0.547 0.875 0.667 CB 1.308 25 residues pruned to eliminate duplicates Z: 26 20.825 2.104 0.695 0.544 0.880 0.640 CB 1.271 26 residues pruned to eliminate duplicates Z: 28 16.269 2.031 0.630 0.467 0.815 0.556 CB 1.200 28 residues pruned to eliminate duplicates Z: 27 18.653 2.075 0.613 0.494 0.808 0.615 CB 1.362 27 residues pruned to eliminate duplicates Z: 29 20.354 2.062 0.697 0.496 0.821 0.571 CB 1.343 29 residues pruned to eliminate duplicates Z: 51 32.455 2.141 0.822 0.495 0.880 0.560 CB 1.343 51 residues pruned to eliminate duplicates Z: 27 25.193 2.111 0.871 0.517 0.923 0.615 CB 1.332 27 residues pruned to eliminate duplicates Z: 6 4.011 1.490 1.065 0.291 0.800 0.400 CA 0.921 6 residues pruned to eliminate duplicates Z: 10 11.066 2.040 0.550 0.474 0.889 0.556 CB 1.348 10 residues pruned to eliminate duplicates Z: 6 7.294 2.073 -0.037 0.560 1.000 1.000 CA 1.542 7 residues pruned to eliminate duplicates Z: 6 5.237 1.446 0.629 0.365 1.000 0.800 CA 1.149 6 residues pruned to eliminate duplicates Z: 9 9.723 2.003 0.229 0.585 0.875 0.875 CB 1.472 9 residues pruned to eliminate duplicates Z: 13 13.290 1.736 0.412 0.822 0.917 0.583 CB 1.291 13 residues pruned to eliminate duplicates Z: 12 10.723 1.746 0.254 0.767 1.000 0.636 CB 1.165 12 residues pruned to eliminate duplicates Z: 14 12.843 1.758 0.421 0.782 0.923 0.615 CB 1.206 14 residues pruned to eliminate duplicates Z: 14 11.969 1.771 0.347 0.787 0.923 0.846 CB 1.172 14 residues pruned to eliminate duplicates Z: 13 12.601 1.768 0.363 0.808 1.000 0.667 CB 1.154 13 residues pruned to eliminate duplicates Z: 13 11.089 1.772 0.348 0.825 0.917 0.750 CB 1.103 13 residues pruned to eliminate duplicates Z: 13 12.636 1.759 0.265 0.816 1.000 0.750 CB 1.246 13 residues pruned to eliminate duplicates Z: 13 13.143 1.721 0.360 0.817 1.000 0.667 CB 1.230 15 residues pruned to eliminate duplicates Z: 12 16.978 1.742 0.564 0.874 1.000 0.455 CB 1.368 13 residues pruned to eliminate duplicates Z: 12 13.588 1.702 0.601 0.874 0.909 0.818 CA 1.205 12 residues pruned to eliminate duplicates Z: 15 9.795 1.647 0.411 0.793 0.786 0.214 CB 1.109 12 residues pruned to eliminate duplicates Z: 14 11.691 1.664 0.431 0.820 1.000 0.308 CB 1.032 14 residues pruned to eliminate duplicates Z: 15 11.089 1.716 0.333 0.865 0.857 0.571 CB 1.107 15 residues pruned to eliminate duplicates 6 1.823 1.278 0.312 0.100 1.000 0.600 N 0.810 ? Z: 27 18.892 1.961 0.508 0.543 0.885 0.615 CB 1.358 27 residues pruned to eliminate duplicates Z: 27 18.805 2.001 0.496 0.536 0.846 0.577 CB 1.405 27 residues pruned to eliminate duplicates Z: 13 16.538 1.780 0.674 0.725 0.917 0.583 CB 1.428 13 residues pruned to eliminate duplicates Z: 25 16.403 2.005 0.402 0.449 0.875 0.500 CB 1.434 25 residues pruned to eliminate duplicates Z: 22 16.177 1.989 0.553 0.438 0.905 0.619 CB 1.346 23 residues pruned to eliminate duplicates Z: 9 21.443 1.917 0.832 0.890 1.000 0.625 CB 1.553 9 residues pruned to eliminate duplicates Z: 29 17.503 1.904 0.435 0.424 0.929 0.536 CB 1.411 29 residues pruned to eliminate duplicates Z: 9 14.622 1.857 0.676 0.890 1.000 0.625 CB 1.195 9 residues pruned to eliminate duplicates Z: 21 14.490 2.008 0.408 0.408 0.850 0.400 CB 1.484 21 residues pruned to eliminate duplicates Z: 20 14.366 2.005 0.493 0.498 0.842 0.526 CB 1.311 20 residues pruned to eliminate duplicates Z: 26 13.424 1.855 0.490 0.376 0.800 0.520 CB 1.387 26 residues pruned to eliminate duplicates Z: 26 18.693 2.019 0.499 0.504 0.840 0.560 CB 1.465 26 residues pruned to eliminate duplicates Z: 28 19.554 1.995 0.440 0.528 0.889 0.519 CB 1.433 27 residues pruned to eliminate duplicates Z: 6 4.094 1.603 0.720 0.460 0.800 0.600 CB 0.865 6 residues pruned to eliminate duplicates Z: 20 10.330 1.647 0.507 0.414 0.895 0.526 CB 1.168 20 residues pruned to eliminate duplicates Z: 26 19.096 1.925 0.587 0.566 0.920 0.520 CB 1.276 26 residues pruned to eliminate duplicates Z: 27 20.915 1.976 0.648 0.551 0.885 0.577 CB 1.355 27 residues pruned to eliminate duplicates Z: 15 13.096 1.856 0.544 0.519 1.000 0.500 CB 1.199 15 residues pruned to eliminate duplicates Z: 25 19.397 1.941 0.573 0.541 0.958 0.625 CB 1.299 25 residues pruned to eliminate duplicates Z: 26 19.463 1.942 0.607 0.566 0.920 0.440 CB 1.272 26 residues pruned to eliminate duplicates Z: 17 9.641 1.733 0.481 0.437 0.875 0.562 CB 1.145 17 residues pruned to eliminate duplicates Z: 28 21.033 1.961 0.627 0.564 0.963 0.519 CB 1.238 28 residues pruned to eliminate duplicates Z: 28 18.053 1.941 0.493 0.562 0.852 0.519 CB 1.326 28 residues pruned to eliminate duplicates Z: 27 19.285 1.968 0.452 0.559 0.923 0.462 CB 1.354 27 residues pruned to eliminate duplicates Z: 12 13.660 1.844 0.388 0.747 0.909 0.727 CB 1.419 11 residues pruned to eliminate duplicates Z: 10 15.508 1.702 0.751 0.750 1.000 0.556 CA 1.388 10 residues pruned to eliminate duplicates Z: 12 11.289 1.859 0.391 0.684 0.909 0.818 CB 1.223 12 residues pruned to eliminate duplicates Z: 35 31.119 1.996 0.450 0.817 0.971 0.824 CB 1.443 35 residues pruned to eliminate duplicates Z: 11 13.737 1.850 0.543 0.739 0.900 0.700 CB 1.365 11 residues pruned to eliminate duplicates Z: 38 28.370 1.960 0.551 0.701 0.919 0.703 CB 1.391 38 residues pruned to eliminate duplicates Z: 38 37.283 2.025 0.547 0.827 0.919 0.730 CB 1.605 38 residues pruned to eliminate duplicates Z: 34 36.634 2.031 0.629 0.804 0.939 0.818 CA 1.574 34 residues pruned to eliminate duplicates Z: 38 41.992 2.041 0.561 0.854 1.000 0.811 CB 1.601 38 residues pruned to eliminate duplicates Z: 40 41.230 1.990 0.621 0.813 0.974 0.795 CB 1.599 41 residues pruned to eliminate duplicates Z: 28 35.466 2.019 0.589 0.870 0.963 0.741 CB 1.613 28 residues pruned to eliminate duplicates Z: 42 31.584 1.963 0.594 0.732 0.927 0.707 CB 1.380 42 residues pruned to eliminate duplicates Z: 39 40.871 2.030 0.645 0.843 0.947 0.763 CB 1.561 39 residues pruned to eliminate duplicates Z: 40 38.501 1.976 0.693 0.797 0.949 0.667 CB 1.498 40 residues pruned to eliminate duplicates Z: 38 44.568 2.036 0.750 0.828 1.000 0.568 CB 1.548 38 residues pruned to eliminate duplicates Z: 38 43.406 2.064 0.745 0.853 0.973 0.703 CB 1.505 38 residues pruned to eliminate duplicates Z: 33 39.693 2.035 0.751 0.827 0.938 0.562 CB 1.583 33 residues pruned to eliminate duplicates Z: 38 45.012 2.037 0.823 0.827 0.973 0.622 CB 1.544 38 residues pruned to eliminate duplicates Z: 45 32.269 1.986 0.667 0.739 0.909 0.568 CB 1.305 45 residues pruned to eliminate duplicates Z: 41 36.931 1.993 0.703 0.816 0.900 0.650 CB 1.452 41 residues pruned to eliminate duplicates Z: 33 33.203 2.037 0.686 0.788 0.906 0.500 CB 1.464 33 residues pruned to eliminate duplicates Z: 39 42.936 2.041 0.770 0.812 0.974 0.711 CB 1.509 39 residues pruned to eliminate duplicates Z: 38 42.489 2.029 0.718 0.840 0.973 0.514 CB 1.537 38 residues pruned to eliminate duplicates Z: 36 45.017 2.092 0.866 0.844 0.943 0.571 CB 1.539 36 residues pruned to eliminate duplicates Z: 37 43.097 2.076 0.745 0.848 0.944 0.528 CB 1.558 37 residues pruned to eliminate duplicates Z: 37 39.587 2.031 0.702 0.840 0.972 0.444 CB 1.466 37 residues pruned to eliminate duplicates Z: 37 39.750 2.040 0.915 0.786 0.889 0.500 CB 1.483 37 residues pruned to eliminate duplicates Z: 41 43.017 1.988 0.797 0.797 0.975 0.450 CB 1.506 41 residues pruned to eliminate duplicates Z: 38 47.313 2.026 0.925 0.832 0.973 0.459 CB 1.539 38 residues pruned to eliminate duplicates Z: 39 47.662 2.050 0.880 0.839 0.974 0.579 CB 1.538 39 residues pruned to eliminate duplicates Z: 30 41.604 1.956 0.858 0.915 0.966 0.621 CB 1.556 30 residues pruned to eliminate duplicates Z: 40 37.462 2.011 0.866 0.812 0.872 0.513 CB 1.397 40 residues pruned to eliminate duplicates Z: 38 44.867 2.011 0.940 0.852 0.973 0.486 CB 1.437 38 residues pruned to eliminate duplicates Z: 39 39.243 2.021 0.798 0.835 0.947 0.553 CB 1.385 39 residues pruned to eliminate duplicates Z: 37 35.026 2.006 0.945 0.786 0.833 0.444 CB 1.396 37 residues pruned to eliminate duplicates Z: 19 21.215 1.881 0.596 0.747 1.000 0.778 CB 1.336 19 residues pruned to eliminate duplicates Z: 9 9.780 1.800 0.748 0.452 0.875 0.375 CB 1.320 7 residues pruned to eliminate duplicates Z: 19 18.864 1.868 0.324 0.775 1.000 0.833 CB 1.410 19 residues pruned to eliminate duplicates Z: 20 16.937 1.881 0.424 0.666 0.947 0.737 CB 1.314 20 residues pruned to eliminate duplicates Z: 23 17.581 1.852 0.350 0.636 0.955 0.636 CB 1.383 23 residues pruned to eliminate duplicates Z: 14 16.209 1.973 0.387 0.661 0.846 0.538 N 1.672 14 residues pruned to eliminate duplicates Z: 20 20.990 1.928 0.581 0.722 0.947 0.737 CB 1.365 20 residues pruned to eliminate duplicates Z: 18 20.135 1.978 0.449 0.751 0.882 0.765 CB 1.544 18 residues pruned to eliminate duplicates Z: 16 15.948 1.973 0.411 0.618 0.933 0.533 CB 1.417 16 residues pruned to eliminate duplicates Z: 15 17.347 1.976 0.384 0.667 0.929 0.571 CB 1.564 15 residues pruned to eliminate duplicates Z: 23 18.140 1.827 0.416 0.669 0.909 0.591 CB 1.406 23 residues pruned to eliminate duplicates Z: 19 21.676 1.928 0.579 0.722 0.944 0.667 CB 1.454 19 residues pruned to eliminate duplicates Z: 20 20.977 1.889 0.679 0.685 0.947 0.632 CB 1.351 20 residues pruned to eliminate duplicates Z: 21 22.858 1.888 0.587 0.705 0.950 0.600 CB 1.490 21 residues pruned to eliminate duplicates Z: 21 21.787 1.849 0.717 0.716 0.950 0.650 CB 1.328 21 residues pruned to eliminate duplicates Z: 21 19.639 1.868 0.661 0.665 0.950 0.600 CB 1.279 21 residues pruned to eliminate duplicates Z: 20 22.865 1.938 0.666 0.719 0.947 0.421 CB 1.407 20 residues pruned to eliminate duplicates Z: 21 24.038 1.877 0.796 0.709 0.900 0.550 CB 1.465 21 residues pruned to eliminate duplicates Z: 13 9.668 1.600 0.297 0.846 0.917 0.833 CB 1.090 13 residues pruned to eliminate duplicates Z: 15 9.917 1.560 0.601 0.637 0.857 0.714 CB 1.089 15 residues pruned to eliminate duplicates Z: 11 13.674 1.725 0.426 0.890 1.000 0.900 CB 1.265 11 residues pruned to eliminate duplicates Z: 11 12.363 1.691 0.570 0.772 0.900 0.600 CB 1.286 11 residues pruned to eliminate duplicates Z: 13 12.820 1.631 0.642 0.761 0.833 0.667 CB 1.316 13 residues pruned to eliminate duplicates Z: 11 13.853 1.736 0.374 0.914 1.000 0.800 CB 1.299 11 residues pruned to eliminate duplicates Z: 10 13.998 1.688 0.767 0.872 1.000 0.556 CB 1.140 10 residues pruned to eliminate duplicates Z: 13 11.367 1.588 0.688 0.773 0.833 0.750 CB 1.154 13 residues pruned to eliminate duplicates Z: 12 12.954 1.656 0.644 0.798 0.909 0.455 CB 1.215 12 residues pruned to eliminate duplicates Z: 9 8.674 1.661 0.434 0.835 0.875 0.875 CB 1.103 9 residues pruned to eliminate duplicates Z: 6 5.739 1.512 0.373 0.494 1.000 0.600 N 1.243 5 residues pruned to eliminate duplicates Z: 17 15.756 1.721 0.357 0.923 0.938 0.938 CB 1.264 17 residues pruned to eliminate duplicates Z: 17 13.077 1.686 0.313 0.805 0.938 0.750 CB 1.207 17 residues pruned to eliminate duplicates Z: 17 14.745 1.725 0.543 0.766 0.938 0.688 CB 1.166 17 residues pruned to eliminate duplicates Z: 15 14.551 1.695 0.515 0.819 1.000 0.714 CB 1.148 15 residues pruned to eliminate duplicates Z: 18 14.215 1.724 0.536 0.759 0.882 0.529 CB 1.173 18 residues pruned to eliminate duplicates Z: 16 14.862 1.712 0.496 0.866 0.933 0.533 CB 1.175 16 residues pruned to eliminate duplicates Z: 20 16.136 1.674 0.458 0.839 1.000 0.789 CB 1.133 20 residues pruned to eliminate duplicates Z: 16 15.080 1.733 0.728 0.704 0.933 0.667 CB 1.157 16 residues pruned to eliminate duplicates Z: 12 11.431 1.803 0.697 0.859 0.818 0.545 CB 1.013 12 residues pruned to eliminate duplicates Z: 17 11.785 1.699 0.680 0.780 0.812 0.500 CB 0.992 17 residues pruned to eliminate duplicates Z: 15 10.504 1.705 0.640 0.845 0.714 0.571 CB 1.045 15 residues pruned to eliminate duplicates Z: 15 14.399 1.715 0.692 0.903 0.929 0.643 CB 1.018 15 residues pruned to eliminate duplicates Z: 20 20.803 1.718 0.644 0.897 1.000 0.474 CB 1.210 20 residues pruned to eliminate duplicates Z: 16 15.469 1.749 0.795 0.876 0.933 0.667 CB 0.990 16 residues pruned to eliminate duplicates Z: 15 15.706 1.729 0.858 0.875 0.929 0.643 CB 1.024 15 residues pruned to eliminate duplicates Z: 15 11.539 1.540 0.657 0.638 0.929 0.071 CB 1.144 15 residues pruned to eliminate duplicates Z: 14 8.115 1.765 0.417 0.422 0.923 0.615 CB 1.056 14 residues pruned to eliminate duplicates Z: 15 5.463 1.671 0.240 0.320 0.857 0.429 CB 1.003 15 residues pruned to eliminate duplicates Z: 15 6.326 1.575 0.516 0.270 0.786 0.429 CB 1.170 5 residues pruned to eliminate duplicates Z: 8 3.979 1.613 0.507 0.435 0.857 0.714 CB 0.772 8 residues pruned to eliminate duplicates Z: 11 7.530 1.618 0.398 0.486 1.000 0.600 CB 1.067 11 residues pruned to eliminate duplicates Z: 15 7.566 1.746 0.358 0.451 0.857 0.643 CB 1.047 15 residues pruned to eliminate duplicates Z: 39 24.930 1.986 0.454 0.582 0.921 0.579 CB 1.406 39 residues pruned to eliminate duplicates Z: 34 27.333 2.009 0.516 0.615 0.939 0.606 CB 1.492 34 residues pruned to eliminate duplicates Z: 39 27.687 1.979 0.545 0.568 0.947 0.526 CB 1.452 39 residues pruned to eliminate duplicates Z: 40 21.581 1.957 0.513 0.553 0.821 0.590 CB 1.352 40 residues pruned to eliminate duplicates Z: 31 22.351 1.994 0.437 0.602 0.900 0.600 CB 1.436 31 residues pruned to eliminate duplicates Z: 30 26.520 2.030 0.579 0.619 0.931 0.586 CB 1.475 30 residues pruned to eliminate duplicates Z: 28 28.390 2.086 0.539 0.618 1.000 0.741 CB 1.522 28 residues pruned to eliminate duplicates Z: 18 27.658 2.072 0.575 0.773 0.941 0.824 CB 1.717 18 residues pruned to eliminate duplicates Z: 47 35.459 1.994 0.593 0.660 0.935 0.717 CB 1.518 47 residues pruned to eliminate duplicates Z: 29 30.571 2.067 0.612 0.649 1.000 0.643 CB 1.509 29 residues pruned to eliminate duplicates Z: 28 29.929 2.097 0.564 0.646 1.000 0.667 CB 1.533 28 residues pruned to eliminate duplicates Z: 29 24.415 2.049 0.441 0.644 0.964 0.643 CB 1.417 29 residues pruned to eliminate duplicates Z: 30 23.973 1.998 0.493 0.610 0.931 0.621 CB 1.443 30 residues pruned to eliminate duplicates Z: 23 20.551 1.888 0.721 0.601 0.955 0.364 CB 1.284 23 residues pruned to eliminate duplicates Z: 29 25.537 2.062 0.545 0.628 0.893 0.714 CB 1.504 29 residues pruned to eliminate duplicates Z: 18 25.331 2.086 0.587 0.775 0.941 0.647 CB 1.546 18 residues pruned to eliminate duplicates Z: 29 25.813 2.054 0.568 0.599 0.929 0.643 CB 1.484 29 residues pruned to eliminate duplicates Z: 50 32.351 1.924 0.559 0.599 0.959 0.653 CB 1.462 50 residues pruned to eliminate duplicates Z: 30 26.299 2.035 0.600 0.603 0.931 0.552 CB 1.461 30 residues pruned to eliminate duplicates Z: 29 27.740 2.066 0.528 0.636 1.000 0.643 CB 1.463 29 residues pruned to eliminate duplicates Z: 31 25.157 2.001 0.557 0.628 0.900 0.600 CB 1.451 31 residues pruned to eliminate duplicates Z: 31 24.492 1.999 0.506 0.598 0.933 0.600 CB 1.450 31 residues pruned to eliminate duplicates Z: 31 23.609 1.990 0.518 0.648 0.900 0.533 CB 1.381 31 residues pruned to eliminate duplicates Z: 30 27.249 2.043 0.484 0.650 1.000 0.655 CB 1.452 30 residues pruned to eliminate duplicates Z: 12 12.266 1.968 0.389 0.508 1.000 0.636 CB 1.343 12 residues pruned to eliminate duplicates Z: 31 27.129 1.998 0.630 0.674 0.900 0.567 CB 1.439 31 residues pruned to eliminate duplicates Z: 38 24.151 1.925 0.540 0.570 0.919 0.595 CB 1.362 38 residues pruned to eliminate duplicates Z: 30 31.135 2.000 0.650 0.676 1.000 0.759 CB 1.490 30 residues pruned to eliminate duplicates Z: 29 27.810 2.048 0.528 0.680 0.964 0.714 CB 1.476 29 residues pruned to eliminate duplicates Z: 39 24.069 1.935 0.558 0.576 0.921 0.395 CB 1.306 39 residues pruned to eliminate duplicates Z: 56 37.288 1.988 0.496 0.659 0.964 0.618 CB 1.513 56 residues pruned to eliminate duplicates Z: 57 38.064 1.948 0.607 0.650 0.964 0.643 CB 1.466 57 residues pruned to eliminate duplicates Z: 43 27.893 1.961 0.594 0.587 0.929 0.667 CB 1.364 43 residues pruned to eliminate duplicates Z: 52 37.400 1.964 0.652 0.662 0.980 0.510 CB 1.416 52 residues pruned to eliminate duplicates Z: 19 23.146 1.826 0.612 0.754 1.000 0.722 CB 1.477 19 residues pruned to eliminate duplicates Z: 55 37.490 1.954 0.483 0.707 0.981 0.704 CB 1.487 53 residues pruned to eliminate duplicates Z: 24 29.029 1.949 0.487 0.893 0.957 0.783 CB 1.567 24 residues pruned to eliminate duplicates Z: 25 30.020 1.945 0.737 0.787 0.917 0.583 CB 1.538 25 residues pruned to eliminate duplicates Z: 26 28.632 1.943 0.547 0.799 0.920 0.600 CB 1.593 26 residues pruned to eliminate duplicates Z: 25 26.390 1.942 0.601 0.806 0.917 0.667 CB 1.447 25 residues pruned to eliminate duplicates Z: 40 29.090 1.962 0.692 0.666 0.872 0.462 CB 1.380 40 residues pruned to eliminate duplicates Z: 21 24.930 1.918 0.861 0.699 0.850 0.500 CB 1.532 21 residues pruned to eliminate duplicates Z: 25 25.632 1.918 0.597 0.790 0.875 0.708 CB 1.514 25 residues pruned to eliminate duplicates Z: 24 31.555 2.024 0.699 0.825 0.913 0.739 CB 1.582 24 residues pruned to eliminate duplicates Z: 37 33.798 1.980 0.667 0.736 0.972 0.444 CB 1.420 37 residues pruned to eliminate duplicates Z: 19 18.808 1.790 0.876 0.598 0.778 0.444 CB 1.547 19 residues pruned to eliminate duplicates Z: 38 38.417 1.966 0.830 0.761 0.973 0.595 CB 1.430 38 residues pruned to eliminate duplicates Z: 35 33.470 2.030 0.760 0.744 0.912 0.618 CB 1.416 35 residues pruned to eliminate duplicates Z: 25 31.543 1.999 0.645 0.838 0.958 0.667 CB 1.527 25 residues pruned to eliminate duplicates Z: 37 25.468 1.939 0.567 0.702 0.833 0.472 CB 1.394 37 residues pruned to eliminate duplicates Z: 24 33.837 2.022 0.719 0.849 0.957 0.478 CB 1.573 24 residues pruned to eliminate duplicates Z: 27 25.998 1.928 0.612 0.756 0.885 0.654 CB 1.477 27 residues pruned to eliminate duplicates Z: 37 34.768 2.031 0.708 0.741 0.917 0.472 CB 1.469 37 residues pruned to eliminate duplicates Z: 37 37.819 2.027 0.745 0.768 0.944 0.472 CB 1.488 37 residues pruned to eliminate duplicates Z: 36 42.606 2.037 0.876 0.787 1.000 0.514 CB 1.464 36 residues pruned to eliminate duplicates Z: 37 37.644 2.026 0.743 0.735 0.972 0.583 CB 1.479 37 residues pruned to eliminate duplicates Z: 37 37.885 2.020 0.847 0.728 0.944 0.500 CB 1.459 37 residues pruned to eliminate duplicates Z: 68 45.409 2.014 0.729 0.697 0.940 0.642 CB 1.415 68 residues pruned to eliminate duplicates Z: 54 39.881 2.028 0.671 0.728 0.925 0.547 CB 1.424 54 residues pruned to eliminate duplicates Z: 37 36.905 2.039 0.752 0.739 0.972 0.528 CB 1.430 37 residues pruned to eliminate duplicates Z: 35 30.024 1.950 0.936 0.693 0.912 0.353 CB 1.254 35 residues pruned to eliminate duplicates Z: 36 36.447 2.041 0.807 0.738 0.943 0.343 CB 1.431 36 residues pruned to eliminate duplicates Z: 47 27.691 1.893 0.674 0.636 0.913 0.630 CB 1.242 47 residues pruned to eliminate duplicates Z: 36 35.990 2.066 0.852 0.741 0.914 0.457 CB 1.402 36 residues pruned to eliminate duplicates Z: 37 36.192 2.028 0.767 0.740 0.944 0.500 CB 1.437 37 residues pruned to eliminate duplicates Z: 38 24.625 1.900 0.580 0.572 0.892 0.459 CB 1.410 38 residues pruned to eliminate duplicates Z: 53 35.713 1.976 0.765 0.684 0.885 0.519 CB 1.355 53 residues pruned to eliminate duplicates Z: 56 39.804 1.996 0.700 0.707 0.945 0.564 CB 1.386 56 residues pruned to eliminate duplicates Z: 51 37.706 1.985 0.643 0.714 0.960 0.540 CB 1.403 51 residues pruned to eliminate duplicates Z: 36 22.034 1.881 0.515 0.555 0.943 0.629 CB 1.314 17 residues pruned to eliminate duplicates Z: 17 24.050 1.987 0.433 0.835 1.000 0.750 CB 1.582 17 residues pruned to eliminate duplicates Z: 17 24.017 1.917 0.567 0.821 0.938 0.625 CB 1.614 17 residues pruned to eliminate duplicates Z: 17 23.159 2.010 0.673 0.745 0.938 0.812 CB 1.475 17 residues pruned to eliminate duplicates Z: 19 18.691 1.921 0.599 0.696 0.833 0.556 CB 1.439 19 residues pruned to eliminate duplicates Z: 19 18.627 1.872 0.608 0.711 0.889 0.556 CB 1.354 19 residues pruned to eliminate duplicates Z: 17 26.104 2.002 0.530 0.812 1.000 0.625 CB 1.623 17 residues pruned to eliminate duplicates Z: 56 36.851 1.994 0.698 0.683 0.909 0.473 CB 1.364 56 residues pruned to eliminate duplicates Z: 57 37.186 1.955 0.716 0.668 0.946 0.375 CB 1.341 57 residues pruned to eliminate duplicates Z: 20 16.042 1.895 0.670 0.688 0.789 0.632 CB 1.240 20 residues pruned to eliminate duplicates Z: 19 19.714 1.967 0.678 0.681 0.833 0.556 CB 1.430 19 residues pruned to eliminate duplicates Z: 18 26.610 2.007 0.735 0.764 0.941 0.647 CB 1.558 18 residues pruned to eliminate duplicates Z: 53 41.557 2.036 0.713 0.726 0.962 0.462 CB 1.402 53 residues pruned to eliminate duplicates Z: 19 24.861 1.960 0.689 0.750 0.889 0.333 CB 1.592 19 residues pruned to eliminate duplicates Z: 19 19.910 1.862 0.599 0.713 0.944 0.722 CB 1.376 19 residues pruned to eliminate duplicates Z: 20 18.837 1.926 0.580 0.735 0.789 0.579 CB 1.458 20 residues pruned to eliminate duplicates Z: 29 22.159 1.978 0.350 0.625 1.000 0.714 CB 1.394 29 residues pruned to eliminate duplicates Z: 28 22.914 2.037 0.394 0.662 0.926 0.630 CB 1.445 28 residues pruned to eliminate duplicates Z: 28 22.954 1.994 0.448 0.577 0.963 0.630 CB 1.475 28 residues pruned to eliminate duplicates Z: 27 29.413 2.081 0.566 0.727 0.962 0.808 CB 1.501 27 residues pruned to eliminate duplicates Z: 27 31.886 2.056 0.719 0.693 1.000 0.692 CB 1.483 27 residues pruned to eliminate duplicates Z: 28 29.204 2.051 0.693 0.661 0.963 0.704 CB 1.447 28 residues pruned to eliminate duplicates Z: 27 33.505 2.055 0.705 0.705 1.000 0.692 CB 1.557 27 residues pruned to eliminate duplicates Z: 27 31.991 2.002 0.726 0.704 0.962 0.615 CB 1.568 27 residues pruned to eliminate duplicates Z: 27 29.155 2.084 0.595 0.733 0.962 0.654 CB 1.451 27 residues pruned to eliminate duplicates Z: 28 30.325 2.038 0.721 0.699 0.963 0.593 CB 1.442 28 residues pruned to eliminate duplicates Z: 15 35.985 2.176 0.892 0.849 1.000 0.500 CB 1.732 16 residues pruned to eliminate duplicates Z: 16 34.433 2.135 0.985 0.867 0.933 0.600 CA 1.644 16 residues pruned to eliminate duplicates Z: 19 30.778 2.071 0.854 0.704 0.944 0.556 CB 1.662 17 residues pruned to eliminate duplicates Z: 15 37.495 2.174 1.040 0.884 0.929 0.357 CB 1.759 15 residues pruned to eliminate duplicates Z: 28 32.169 2.037 0.785 0.696 0.963 0.556 CB 1.478 28 residues pruned to eliminate duplicates Z: 28 30.110 2.025 0.708 0.676 0.963 0.593 CB 1.479 28 residues pruned to eliminate duplicates Z: 27 29.494 2.018 0.681 0.716 0.962 0.462 CB 1.458 27 residues pruned to eliminate duplicates Z: 10 11.541 1.972 0.373 0.669 1.000 0.556 CB 1.215 10 residues pruned to eliminate duplicates Z: 28 28.802 2.028 0.722 0.683 0.926 0.444 CB 1.450 28 residues pruned to eliminate duplicates Z: 23 17.120 1.971 0.405 0.541 0.909 0.591 CB 1.392 23 residues pruned to eliminate duplicates Z: 11 7.590 1.933 0.175 0.549 0.900 0.600 CB 1.119 11 residues pruned to eliminate duplicates Z: 27 29.743 2.066 0.625 0.707 0.962 0.731 CB 1.497 27 residues pruned to eliminate duplicates Z: 29 27.474 2.049 0.612 0.666 0.929 0.714 CB 1.451 29 residues pruned to eliminate duplicates Z: 27 32.743 2.109 0.735 0.714 0.962 0.692 CB 1.503 28 residues pruned to eliminate duplicates Z: 10 18.746 1.952 0.719 0.704 1.000 0.778 CA 1.547 10 residues pruned to eliminate duplicates Z: 53 30.072 2.195 0.646 0.449 0.865 0.577 CB 1.405 53 residues pruned to eliminate duplicates Z: 21 12.528 1.896 0.471 0.465 0.800 0.250 CB 1.301 21 residues pruned to eliminate duplicates Z: 13 20.599 2.066 0.657 0.722 0.917 0.417 CB 1.551 13 residues pruned to eliminate duplicates Z: 46 33.250 2.231 0.655 0.529 0.889 0.422 CB 1.468 46 residues pruned to eliminate duplicates Z: 14 19.999 2.048 0.796 0.658 1.000 0.231 CB 1.302 14 residues pruned to eliminate duplicates Z: 55 30.046 2.148 0.585 0.494 0.870 0.481 CB 1.387 55 residues pruned to eliminate duplicates Z: 65 32.845 2.151 0.581 0.467 0.906 0.531 CB 1.379 65 residues pruned to eliminate duplicates Z: 48 34.574 2.245 0.783 0.531 0.830 0.553 CB 1.473 48 residues pruned to eliminate duplicates Z: 55 34.107 2.217 0.639 0.482 0.889 0.426 CB 1.463 55 residues pruned to eliminate duplicates Z: 35 35.095 2.237 0.836 0.587 0.882 0.412 CB 1.527 35 residues pruned to eliminate duplicates Z: 42 28.590 2.202 0.658 0.453 0.854 0.561 CB 1.503 42 residues pruned to eliminate duplicates Z: 18 22.941 2.195 0.727 0.594 0.882 0.588 CB 1.520 18 residues pruned to eliminate duplicates Z: 50 29.974 2.197 0.671 0.487 0.816 0.490 CB 1.449 50 residues pruned to eliminate duplicates Z: 36 30.230 2.259 0.727 0.489 0.886 0.486 CB 1.495 36 residues pruned to eliminate duplicates Z: 12 16.538 2.136 0.677 0.538 0.909 0.545 CB 1.476 12 residues pruned to eliminate duplicates Z: 31 34.703 2.220 0.817 0.630 0.900 0.667 CB 1.545 31 residues pruned to eliminate duplicates Z: 51 31.184 2.208 0.609 0.458 0.880 0.600 CB 1.473 51 residues pruned to eliminate duplicates Z: 74 61.724 2.333 0.811 0.653 0.904 0.699 CB 1.640 74 residues pruned to eliminate duplicates Z: 86 57.962 2.273 0.710 0.634 0.882 0.671 CB 1.617 86 residues pruned to eliminate duplicates Z: 51 32.116 2.187 0.807 0.455 0.820 0.500 CB 1.467 51 residues pruned to eliminate duplicates Z: 44 28.498 2.194 0.767 0.424 0.860 0.535 CB 1.410 44 residues pruned to eliminate duplicates Z: 38 22.664 2.214 0.681 0.456 0.730 0.432 CB 1.435 38 residues pruned to eliminate duplicates Z: 54 37.937 2.216 0.740 0.504 0.943 0.585 CB 1.427 54 residues pruned to eliminate duplicates Z: 46 35.288 2.203 0.752 0.520 0.911 0.556 CB 1.466 46 residues pruned to eliminate duplicates Z: 32 33.959 2.213 0.895 0.579 0.871 0.516 CB 1.548 32 residues pruned to eliminate duplicates Z: 34 31.338 2.116 0.971 0.589 0.909 0.576 CB 1.322 34 residues pruned to eliminate duplicates Z: 74 54.479 2.285 0.654 0.649 0.890 0.699 CB 1.649 74 residues pruned to eliminate duplicates Z: 49 36.130 2.146 0.937 0.523 0.833 0.417 CB 1.471 49 residues pruned to eliminate duplicates Z: 84 62.265 2.283 0.771 0.638 0.928 0.651 CB 1.601 84 residues pruned to eliminate duplicates Z: 46 28.707 2.162 0.740 0.413 0.867 0.511 CB 1.438 46 residues pruned to eliminate duplicates Z: 79 41.372 2.161 0.642 0.541 0.897 0.513 CB 1.413 77 residues pruned to eliminate duplicates Z: 9 8.408 1.817 0.708 0.467 0.875 0.375 CB 1.131 9 residues pruned to eliminate duplicates Z: 40 28.540 2.248 0.812 0.445 0.821 0.564 CB 1.447 40 residues pruned to eliminate duplicates Z: 28 17.895 2.134 0.614 0.325 0.963 0.630 CB 1.258 28 residues pruned to eliminate duplicates Z: 62 46.824 2.218 0.578 0.647 0.918 0.754 CA 1.627 62 residues pruned to eliminate duplicates Z: 64 33.345 2.147 0.741 0.441 0.825 0.540 CB 1.448 64 residues pruned to eliminate duplicates Z: 32 32.285 2.213 0.837 0.541 0.903 0.419 CB 1.516 32 residues pruned to eliminate duplicates Z: 60 50.616 2.249 0.727 0.660 0.915 0.678 CB 1.597 60 residues pruned to eliminate duplicates Z: 69 53.536 2.231 0.693 0.676 0.926 0.588 CB 1.577 69 residues pruned to eliminate duplicates Z: 67 56.833 2.272 0.738 0.704 0.909 0.712 CB 1.619 67 residues pruned to eliminate duplicates Z: 84 62.469 2.278 0.781 0.653 0.904 0.614 CB 1.623 84 residues pruned to eliminate duplicates Z: 76 50.943 2.261 0.695 0.610 0.893 0.640 CB 1.548 76 residues pruned to eliminate duplicates Z: 86 58.378 2.236 0.767 0.624 0.894 0.624 CB 1.595 86 residues pruned to eliminate duplicates Z: 57 56.472 2.247 0.881 0.742 0.893 0.643 CB 1.610 57 residues pruned to eliminate duplicates Z: 79 50.592 2.203 0.694 0.609 0.859 0.641 CB 1.612 79 residues pruned to eliminate duplicates Z: 96 59.005 2.224 0.814 0.589 0.874 0.600 CB 1.577 96 residues pruned to eliminate duplicates Z: 99 66.151 2.264 0.781 0.646 0.888 0.633 CB 1.630 99 residues pruned to eliminate duplicates Z: 41 56.275 2.293 0.879 0.823 0.950 0.700 CB 1.643 41 residues pruned to eliminate duplicates Z: 58 54.425 2.224 0.789 0.738 0.930 0.649 CB 1.574 58 residues pruned to eliminate duplicates Z: 65 55.533 2.220 0.778 0.670 0.906 0.641 CB 1.659 65 residues pruned to eliminate duplicates Z: 57 57.484 2.261 0.777 0.758 0.946 0.768 CB 1.606 57 residues pruned to eliminate duplicates Z: 44 57.802 2.260 0.990 0.771 0.953 0.674 CB 1.618 44 residues pruned to eliminate duplicates Z: 65 57.673 2.268 0.738 0.686 0.922 0.703 CB 1.673 65 residues pruned to eliminate duplicates Z: 65 55.921 2.258 0.692 0.682 0.922 0.609 CB 1.679 65 residues pruned to eliminate duplicates Z: 59 57.624 2.253 0.846 0.744 0.914 0.793 CB 1.601 59 residues pruned to eliminate duplicates Z: 53 56.774 2.241 0.813 0.762 0.942 0.635 CB 1.629 53 residues pruned to eliminate duplicates Z: 58 56.060 2.252 0.725 0.731 0.947 0.789 CB 1.639 58 residues pruned to eliminate duplicates Z: 73 62.468 2.286 0.878 0.620 0.931 0.736 CB 1.645 73 residues pruned to eliminate duplicates Z: 60 49.485 2.281 0.742 0.641 0.881 0.729 CB 1.612 60 residues pruned to eliminate duplicates Z: 59 54.646 2.254 0.827 0.730 0.914 0.552 CB 1.550 59 residues pruned to eliminate duplicates Z: 70 61.779 2.313 0.822 0.677 0.928 0.768 CB 1.616 70 residues pruned to eliminate duplicates Z: 74 51.800 2.277 0.770 0.616 0.863 0.685 CB 1.562 74 residues pruned to eliminate duplicates Z: 86 60.847 2.244 0.817 0.643 0.906 0.576 CB 1.562 86 residues pruned to eliminate duplicates Z: 67 58.124 2.263 0.822 0.677 0.909 0.667 CB 1.622 67 residues pruned to eliminate duplicates Z: 55 63.037 2.301 0.894 0.779 0.963 0.722 CB 1.599 56 residues pruned to eliminate duplicates Z: 30 52.440 2.298 0.749 0.941 0.966 0.862 CB 1.741 30 residues pruned to eliminate duplicates Z: 74 60.532 2.281 0.923 0.640 0.904 0.603 CB 1.567 74 residues pruned to eliminate duplicates Z: 97 64.139 2.259 0.854 0.657 0.896 0.531 CB 1.508 97 residues pruned to eliminate duplicates Z: 60 55.742 2.219 0.887 0.713 0.881 0.678 CB 1.620 60 residues pruned to eliminate duplicates Z: 66 62.012 2.290 0.917 0.714 0.923 0.677 CB 1.564 65 residues pruned to eliminate duplicates Z: 31 56.559 2.268 0.898 0.955 1.000 0.867 CB 1.649 31 residues pruned to eliminate duplicates Z: 75 57.340 2.259 0.869 0.599 0.892 0.527 CB 1.610 75 residues pruned to eliminate duplicates Z: 42 57.235 2.291 1.002 0.781 0.976 0.561 CB 1.560 42 residues pruned to eliminate duplicates Z: 67 58.975 2.279 0.999 0.695 0.879 0.606 CB 1.517 67 residues pruned to eliminate duplicates Z: 57 66.824 2.279 0.963 0.769 0.964 0.679 CB 1.631 57 residues pruned to eliminate duplicates Z: 87 63.711 2.289 0.791 0.657 0.919 0.593 CB 1.577 87 residues pruned to eliminate duplicates Z: 59 44.958 2.153 0.842 0.579 0.914 0.448 CB 1.510 59 residues pruned to eliminate duplicates Z: 18 22.897 2.107 0.646 0.706 0.824 0.647 CA 1.613 18 residues pruned to eliminate duplicates Z: 57 57.788 2.214 1.001 0.767 0.911 0.536 CB 1.511 56 residues pruned to eliminate duplicates Z: 44 49.809 2.224 0.673 0.857 0.953 0.419 CB 1.579 44 residues pruned to eliminate duplicates Z: 54 55.486 2.207 0.891 0.740 0.943 0.472 CB 1.562 54 residues pruned to eliminate duplicates Z: 88 68.980 2.297 0.963 0.659 0.920 0.552 CB 1.539 88 residues pruned to eliminate duplicates Z: 19 19.633 1.990 0.701 0.571 0.889 0.444 CB 1.436 19 residues pruned to eliminate duplicates Z: 43 23.319 2.094 0.623 0.443 0.857 0.548 CB 1.309 14 residues pruned to eliminate duplicates Z: 15 30.650 2.112 0.813 0.831 1.000 0.714 CB 1.607 15 residues pruned to eliminate duplicates Z: 59 58.623 2.224 1.034 0.742 0.931 0.483 CB 1.471 59 residues pruned to eliminate duplicates Z: 65 63.093 2.266 1.008 0.689 0.953 0.562 CB 1.530 65 residues pruned to eliminate duplicates Z: 98 66.840 2.281 0.886 0.653 0.866 0.515 CB 1.580 98 residues pruned to eliminate duplicates Z: 15 23.210 2.162 0.930 0.717 0.929 0.500 CB 1.316 15 residues pruned to eliminate duplicates Z: 14 27.947 2.163 1.091 0.670 0.923 0.615 CB 1.586 14 residues pruned to eliminate duplicates Z: 11 28.099 2.266 1.008 0.784 0.900 0.800 CB 1.690 11 residues pruned to eliminate duplicates Z: 17 17.498 2.025 0.847 0.610 0.750 0.562 CB 1.405 17 residues pruned to eliminate duplicates Z: 99 71.432 2.280 0.848 0.670 0.929 0.612 CB 1.577 99 residues pruned to eliminate duplicates Z: 29 17.994 2.123 0.608 0.319 0.893 0.500 CB 1.363 29 residues pruned to eliminate duplicates Z: 27 18.200 2.164 0.608 0.308 0.885 0.500 CB 1.434 27 residues pruned to eliminate duplicates Z: 13 6.517 1.962 0.320 0.240 0.833 0.500 CB 1.178 13 residues pruned to eliminate duplicates Z: 11 5.883 1.956 0.246 0.304 1.000 0.300 CB 0.949 11 residues pruned to eliminate duplicates Z: 50 35.890 2.222 0.727 0.478 0.918 0.490 CB 1.487 50 residues pruned to eliminate duplicates Z: 7 6.872 1.673 0.218 0.823 1.000 0.833 CB 1.041 7 residues pruned to eliminate duplicates Z: 13 8.270 1.670 0.358 0.685 0.917 0.583 CB 0.970 13 residues pruned to eliminate duplicates Z: 17 11.370 1.598 0.437 0.612 1.000 0.562 CB 1.114 17 residues pruned to eliminate duplicates Z: 14 9.973 1.696 0.316 0.644 1.000 0.769 CB 1.083 14 residues pruned to eliminate duplicates Z: 16 9.474 1.689 0.344 0.656 0.933 0.600 CB 0.998 16 residues pruned to eliminate duplicates Z: 13 9.365 1.795 0.244 0.719 0.917 0.750 CB 1.083 13 residues pruned to eliminate duplicates Z: 13 11.006 1.773 0.421 0.751 0.917 0.500 CB 1.100 13 residues pruned to eliminate duplicates Z: 11 10.775 1.851 0.380 0.710 0.900 0.800 CB 1.225 11 residues pruned to eliminate duplicates Z: 10 13.378 1.843 0.476 0.802 1.000 0.778 CB 1.259 10 residues pruned to eliminate duplicates Z: 12 10.363 1.802 0.400 0.754 0.909 0.818 CB 1.086 12 residues pruned to eliminate duplicates Z: 13 7.670 1.764 0.265 0.743 0.833 0.667 CB 0.958 13 residues pruned to eliminate duplicates Z: 14 17.047 1.886 0.442 0.838 1.000 0.846 CB 1.299 15 residues pruned to eliminate duplicates Z: 14 16.909 1.903 0.416 0.892 1.000 0.846 CB 1.250 14 residues pruned to eliminate duplicates Z: 19 19.124 1.796 0.511 0.868 0.944 0.667 CA 1.286 18 residues pruned to eliminate duplicates Z: 22 22.307 1.823 0.509 0.917 1.000 0.905 CB 1.249 22 residues pruned to eliminate duplicates Z: 19 20.996 1.874 0.433 0.867 1.000 0.833 CB 1.348 19 residues pruned to eliminate duplicates Z: 19 18.617 1.847 0.629 0.783 0.889 0.722 CB 1.279 19 residues pruned to eliminate duplicates Z: 24 19.506 1.851 0.392 0.816 0.957 0.783 CB 1.254 24 residues pruned to eliminate duplicates Z: 19 20.965 1.902 0.546 0.815 0.944 0.833 CB 1.353 19 residues pruned to eliminate duplicates Z: 19 23.093 1.869 0.682 0.871 1.000 0.778 CB 1.262 19 residues pruned to eliminate duplicates Z: 31 21.294 1.834 0.546 0.720 0.933 0.467 CB 1.204 32 residues pruned to eliminate duplicates Z: 23 16.032 1.689 0.769 0.869 0.909 0.455 CB 0.919 23 residues pruned to eliminate duplicates Z: 25 17.215 1.795 0.601 0.806 0.917 0.542 CB 1.021 25 residues pruned to eliminate duplicates Z: 34 16.988 1.779 0.507 0.732 0.818 0.485 CB 1.095 34 residues pruned to eliminate duplicates Z: 27 13.103 1.705 0.473 0.585 0.885 0.538 CB 1.067 27 residues pruned to eliminate duplicates Z: 26 13.418 1.775 0.450 0.713 0.880 0.360 CB 0.977 26 residues pruned to eliminate duplicates Z: 32 16.483 1.781 0.536 0.735 0.839 0.387 CB 1.045 32 residues pruned to eliminate duplicates Z: 18 12.680 1.764 0.517 0.797 0.941 0.588 CB 0.942 18 residues pruned to eliminate duplicates Z: 29 15.245 1.771 0.518 0.672 0.786 0.500 CB 1.163 29 residues pruned to eliminate duplicates Z: 21 18.636 1.828 0.656 0.827 0.850 0.600 CB 1.221 21 residues pruned to eliminate duplicates Z: 34 20.061 1.807 0.461 0.717 0.939 0.545 CB 1.157 34 residues pruned to eliminate duplicates Z: 22 21.932 1.839 0.656 0.893 1.000 0.714 CB 1.128 22 residues pruned to eliminate duplicates Z: 29 20.035 1.839 0.583 0.742 0.929 0.571 CB 1.128 29 residues pruned to eliminate duplicates Z: 33 17.723 1.797 0.541 0.662 0.875 0.500 CB 1.113 33 residues pruned to eliminate duplicates Z: 23 9.133 1.750 0.338 0.491 0.773 0.364 CB 1.086 23 residues pruned to eliminate duplicates Z: 39 18.072 1.775 0.652 0.677 0.921 0.553 CB 0.922 39 residues pruned to eliminate duplicates Z: 27 13.365 1.745 0.295 0.569 0.962 0.577 CB 1.129 27 residues pruned to eliminate duplicates Z: 21 11.887 1.733 0.284 0.586 0.900 0.500 CB 1.223 21 residues pruned to eliminate duplicates Z: 31 14.048 1.721 0.431 0.678 0.867 0.667 CB 1.020 31 residues pruned to eliminate duplicates Z: 35 17.691 1.757 0.495 0.673 0.853 0.500 CB 1.154 35 residues pruned to eliminate duplicates Z: 24 11.256 1.753 0.374 0.657 0.783 0.565 CB 1.076 24 residues pruned to eliminate duplicates Z: 18 5.751 1.586 0.549 0.423 0.647 0.294 CB 0.950 18 residues pruned to eliminate duplicates Z: 16 14.342 1.872 0.202 0.646 0.933 0.867 CA 1.539 16 residues pruned to eliminate duplicates Z: 19 13.885 1.838 0.287 0.589 0.833 0.611 CB 1.525 19 residues pruned to eliminate duplicates Z: 30 22.688 1.878 0.485 0.567 0.931 0.586 CB 1.521 28 residues pruned to eliminate duplicates Z: 18 22.843 1.926 0.548 0.795 1.000 0.706 CA 1.435 18 residues pruned to eliminate duplicates Z: 27 23.354 1.907 0.514 0.567 0.923 0.423 CB 1.610 27 residues pruned to eliminate duplicates Z: 73 32.757 1.997 0.437 0.534 0.931 0.583 CB 1.399 73 residues pruned to eliminate duplicates Z: 19 20.762 1.908 0.490 0.741 0.944 0.611 CB 1.469 19 residues pruned to eliminate duplicates Z: 29 25.727 1.880 0.522 0.639 0.964 0.500 CA 1.546 29 residues pruned to eliminate duplicates Z: 28 28.353 1.914 0.549 0.676 1.000 0.593 CA 1.565 28 residues pruned to eliminate duplicates Z: 29 27.390 1.895 0.589 0.675 0.964 0.536 CA 1.517 29 residues pruned to eliminate duplicates Z: 30 28.042 1.882 0.663 0.623 0.966 0.724 CB 1.534 30 residues pruned to eliminate duplicates Z: 17 22.376 1.934 0.473 0.882 1.000 0.875 CA 1.421 17 residues pruned to eliminate duplicates Z: 48 33.751 1.990 0.530 0.649 0.915 0.553 CB 1.538 48 residues pruned to eliminate duplicates Z: 65 36.542 2.057 0.511 0.554 0.906 0.531 CB 1.538 65 residues pruned to eliminate duplicates Z: 30 23.950 1.885 0.502 0.639 0.931 0.586 CB 1.482 30 residues pruned to eliminate duplicates Z: 30 19.685 1.868 0.479 0.594 0.828 0.552 CB 1.461 30 residues pruned to eliminate duplicates Z: 29 26.846 1.929 0.569 0.670 0.893 0.536 CB 1.605 29 residues pruned to eliminate duplicates Z: 29 26.463 1.901 0.511 0.684 0.929 0.571 CB 1.583 29 residues pruned to eliminate duplicates Z: 125 58.008 2.095 0.606 0.637 0.911 0.669 CB 1.495 132 residues pruned to eliminate duplicates Z: 27 26.061 1.932 0.525 0.706 0.923 0.615 CA 1.558 27 residues pruned to eliminate duplicates Z: 28 26.159 1.923 0.500 0.679 0.963 0.630 CB 1.537 28 residues pruned to eliminate duplicates Z: 31 21.410 1.822 0.410 0.603 0.967 0.700 CB 1.428 31 residues pruned to eliminate duplicates Z: 27 25.882 1.947 0.474 0.709 0.923 0.615 CA 1.585 27 residues pruned to eliminate duplicates Z: 82 41.400 2.136 0.519 0.537 0.914 0.531 CB 1.497 82 residues pruned to eliminate duplicates Z: 29 21.062 1.868 0.515 0.626 0.893 0.571 CB 1.400 29 residues pruned to eliminate duplicates Z: 29 24.126 1.899 0.366 0.650 0.964 0.679 CA 1.585 29 residues pruned to eliminate duplicates Z: 65 31.336 2.048 0.444 0.530 0.875 0.578 CB 1.471 65 residues pruned to eliminate duplicates Z: 40 27.978 2.001 0.354 0.660 0.949 0.590 CB 1.502 40 residues pruned to eliminate duplicates Z: 31 23.544 1.900 0.490 0.641 0.867 0.633 CB 1.536 31 residues pruned to eliminate duplicates Z: 42 26.941 1.991 0.400 0.650 0.854 0.585 CB 1.537 42 residues pruned to eliminate duplicates Z: 39 23.635 2.180 0.518 0.440 0.895 0.526 CB 1.376 39 residues pruned to eliminate duplicates Z: 35 24.075 2.217 0.388 0.476 0.941 0.559 CB 1.461 35 residues pruned to eliminate duplicates Z: 84 40.552 2.103 0.604 0.540 0.867 0.554 CB 1.463 84 residues pruned to eliminate duplicates Z: 58 33.956 2.067 0.470 0.593 0.860 0.596 CB 1.575 58 residues pruned to eliminate duplicates Z: 19 17.967 2.025 0.376 0.631 1.000 0.778 CB 1.344 19 residues pruned to eliminate duplicates Z: 13 11.325 2.091 0.030 0.705 0.917 0.667 CB 1.374 13 residues pruned to eliminate duplicates Z: 80 56.985 2.266 0.823 0.602 0.899 0.595 CB 1.567 80 residues pruned to eliminate duplicates Z: 35 25.815 2.185 0.536 0.488 0.853 0.588 CB 1.566 35 residues pruned to eliminate duplicates Z: 19 19.743 2.121 0.673 0.601 0.833 0.556 CB 1.429 19 residues pruned to eliminate duplicates Z: 49 22.976 2.058 0.413 0.424 0.833 0.521 CB 1.481 49 residues pruned to eliminate duplicates Z: 31 27.333 2.257 0.500 0.547 0.933 0.500 CB 1.508 31 residues pruned to eliminate duplicates Z: 41 26.860 2.164 0.480 0.462 0.900 0.500 CB 1.531 41 residues pruned to eliminate duplicates Z: 30 27.098 2.234 0.634 0.539 0.862 0.621 CB 1.539 30 residues pruned to eliminate duplicates Z: 30 22.714 2.205 0.440 0.515 0.897 0.552 CB 1.459 30 residues pruned to eliminate duplicates Z: 48 33.541 1.988 0.520 0.642 0.936 0.596 CB 1.514 48 residues pruned to eliminate duplicates Z: 33 20.866 2.163 0.401 0.478 0.844 0.625 CB 1.475 33 residues pruned to eliminate duplicates Z: 38 26.382 2.192 0.514 0.480 0.892 0.595 CB 1.496 38 residues pruned to eliminate duplicates Z: 75 47.298 2.199 0.693 0.606 0.851 0.662 CB 1.569 65 residues pruned to eliminate duplicates Z: 14 35.586 2.359 0.840 0.826 1.000 0.846 CA 1.715 18 residues pruned to eliminate duplicates Z: 19 37.392 2.199 0.829 0.786 1.000 0.722 CA 1.704 19 residues pruned to eliminate duplicates Z: 12 28.060 2.363 0.761 0.898 0.909 0.727 CA 1.600 12 residues pruned to eliminate duplicates Z: 43 53.352 2.312 0.949 0.733 0.905 0.810 CA 1.638 43 residues pruned to eliminate duplicates Z: 45 60.685 2.300 0.896 0.793 0.977 0.795 CB 1.661 45 residues pruned to eliminate duplicates Z: 17 35.927 2.437 1.052 0.636 0.938 0.750 CB 1.687 17 residues pruned to eliminate duplicates Z: 18 31.682 2.369 0.935 0.571 1.000 0.529 CB 1.565 18 residues pruned to eliminate duplicates Z: 44 51.392 2.259 1.026 0.678 0.930 0.721 CB 1.562 44 residues pruned to eliminate duplicates Z: 50 59.432 2.254 0.944 0.766 0.959 0.714 CB 1.596 50 residues pruned to eliminate duplicates Z: 45 58.031 2.258 1.014 0.766 0.932 0.773 CA 1.631 45 residues pruned to eliminate duplicates Z: 46 60.244 2.322 0.905 0.797 0.911 0.756 CB 1.717 46 residues pruned to eliminate duplicates Z: 18 33.189 2.426 1.113 0.636 0.941 0.706 CB 1.468 18 residues pruned to eliminate duplicates Z: 43 64.232 2.319 1.078 0.793 0.929 0.833 CB 1.713 43 residues pruned to eliminate duplicates Z: 45 64.752 2.298 0.983 0.779 1.000 0.727 CB 1.675 45 residues pruned to eliminate duplicates Z: 44 63.338 2.274 1.012 0.805 0.977 0.698 CB 1.656 44 residues pruned to eliminate duplicates Z: 45 66.502 2.276 1.069 0.818 0.977 0.682 CB 1.653 45 residues pruned to eliminate duplicates Z: 55 57.558 2.218 0.841 0.733 1.000 0.704 CB 1.556 55 residues pruned to eliminate duplicates Z: 48 57.465 2.208 1.045 0.720 0.957 0.596 CB 1.589 48 residues pruned to eliminate duplicates Z: 27 28.811 2.211 0.544 0.746 0.846 0.769 CB 1.570 27 residues pruned to eliminate duplicates Z: 57 52.555 2.221 0.770 0.732 0.946 0.768 CB 1.532 57 residues pruned to eliminate duplicates Z: 48 55.244 2.179 0.952 0.724 0.957 0.660 CB 1.617 48 residues pruned to eliminate duplicates Z: 48 56.850 2.220 0.948 0.761 0.957 0.766 CB 1.589 48 residues pruned to eliminate duplicates Z: 31 39.265 2.155 0.809 0.822 0.933 0.833 CA 1.490 31 residues pruned to eliminate duplicates Z: 56 60.260 2.250 0.911 0.739 0.964 0.727 CB 1.583 56 residues pruned to eliminate duplicates Z: 22 48.692 2.280 1.119 0.929 1.000 0.810 CA 1.538 22 residues pruned to eliminate duplicates Z: 22 50.477 2.300 1.199 0.895 1.000 0.905 CA 1.562 22 residues pruned to eliminate duplicates Z: 27 53.824 2.199 1.104 0.924 1.000 0.885 CA 1.602 27 residues pruned to eliminate duplicates Z: 44 60.231 2.280 1.193 0.687 0.953 0.674 CB 1.622 44 residues pruned to eliminate duplicates Z: 47 70.770 2.277 1.117 0.802 1.000 0.696 CA 1.662 47 residues pruned to eliminate duplicates Z: 44 70.157 2.318 1.194 0.808 0.977 0.651 CB 1.646 44 residues pruned to eliminate duplicates Z: 74 50.669 2.199 0.692 0.612 0.918 0.699 CB 1.562 74 residues pruned to eliminate duplicates Z: 55 53.856 2.266 0.748 0.761 0.944 0.722 CB 1.554 55 residues pruned to eliminate duplicates Z: 42 57.051 2.315 1.227 0.725 0.951 0.537 CB 1.483 42 residues pruned to eliminate duplicates Z: 42 65.930 2.344 1.236 0.773 0.976 0.415 CB 1.582 42 residues pruned to eliminate duplicates Z: 48 65.246 2.247 1.269 0.765 1.000 0.553 CB 1.475 48 residues pruned to eliminate duplicates Z: 59 53.444 2.187 0.831 0.711 0.948 0.397 CB 1.527 59 residues pruned to eliminate duplicates Z: 44 38.338 2.080 0.805 0.573 0.907 0.488 CB 1.601 35 residues pruned to eliminate duplicates Z: 15 27.009 1.969 0.819 0.898 0.929 0.786 CA 1.552 15 residues pruned to eliminate duplicates Z: 40 49.113 2.193 1.012 0.773 0.949 0.513 CB 1.476 40 residues pruned to eliminate duplicates Z: 77 59.081 2.216 0.823 0.626 0.961 0.474 CB 1.551 77 residues pruned to eliminate duplicates Z: 78 50.684 2.192 0.926 0.604 0.870 0.442 CB 1.424 78 residues pruned to eliminate duplicates Z: 59 59.065 2.202 0.989 0.703 0.948 0.448 CB 1.552 59 residues pruned to eliminate duplicates Z: 73 65.836 2.226 1.007 0.646 0.958 0.556 CB 1.581 67 residues pruned to eliminate duplicates Z: 15 14.111 1.678 0.504 0.803 1.000 0.714 CB 1.146 15 residues pruned to eliminate duplicates Z: 27 20.950 2.119 0.419 0.427 0.885 0.346 CB 1.667 27 residues pruned to eliminate duplicates Z: 10 10.366 1.768 0.167 0.882 1.000 0.778 CB 1.212 10 residues pruned to eliminate duplicates Z: 8 9.430 2.029 0.083 0.495 1.000 0.429 CA 1.630 8 residues pruned to eliminate duplicates Z: 53 44.722 2.191 0.964 0.667 0.865 0.519 CB 1.427 53 residues pruned to eliminate duplicates Z: 12 6.524 1.747 0.115 0.434 0.818 0.455 CB 1.321 12 residues pruned to eliminate duplicates Z: 73 49.031 2.166 0.909 0.557 0.861 0.403 CB 1.536 73 residues pruned to eliminate duplicates Z: 75 55.005 2.206 0.855 0.634 0.919 0.459 CB 1.499 75 residues pruned to eliminate duplicates Z: 52 33.017 2.153 0.635 0.466 0.902 0.510 CB 1.507 21 residues pruned to eliminate duplicates Z: 9 9.878 1.740 0.331 0.592 1.000 0.625 CA 1.381 9 residues pruned to eliminate duplicates Z: 33 21.206 2.098 0.532 0.382 0.875 0.562 CB 1.510 32 residues pruned to eliminate duplicates Z: 7 11.729 1.744 0.618 0.801 1.000 0.833 N 1.304 7 residues pruned to eliminate duplicates Z: 50 27.715 2.125 0.553 0.488 0.837 0.612 CB 1.451 63 residues pruned to eliminate duplicates Z: 46 25.377 2.164 0.521 0.419 0.889 0.489 CB 1.408 46 residues pruned to eliminate duplicates Z: 20 15.741 2.214 0.508 0.313 0.789 0.316 CA 1.686 18 residues pruned to eliminate duplicates Z: 7 16.212 2.102 0.541 0.711 1.000 1.000 CA 1.687 7 residues pruned to eliminate duplicates Z: 76 53.160 2.202 0.704 0.610 0.920 0.680 CB 1.602 76 residues pruned to eliminate duplicates Z: 18 14.390 2.195 0.356 0.336 0.824 0.471 CA 1.703 18 residues pruned to eliminate duplicates Z: 13 21.411 2.201 0.941 0.561 0.917 0.500 CA 1.488 13 residues pruned to eliminate duplicates Z: 12 19.849 2.179 0.831 0.587 0.909 0.636 CB 1.517 12 residues pruned to eliminate duplicates Z: 33 23.160 2.102 0.763 0.453 0.875 0.469 CB 1.325 40 residues pruned to eliminate duplicates Z: 9 28.668 2.117 1.025 0.888 1.000 0.500 CA 1.703 9 residues pruned to eliminate duplicates Z: 22 22.761 2.227 0.809 0.523 0.905 0.524 CB 1.332 22 residues pruned to eliminate duplicates Z: 15 18.771 2.178 0.922 0.481 0.929 0.500 CB 1.316 15 residues pruned to eliminate duplicates Z: 12 19.403 2.229 0.775 0.565 0.909 0.273 CB 1.528 12 residues pruned to eliminate duplicates Z: 21 24.956 2.256 0.957 0.541 0.850 0.650 CB 1.428 21 residues pruned to eliminate duplicates Z: 25 20.668 2.130 0.971 0.462 0.792 0.542 CB 1.319 25 residues pruned to eliminate duplicates Z: 21 25.802 2.192 0.852 0.517 0.900 0.650 CB 1.552 21 residues pruned to eliminate duplicates Z: 20 26.198 2.245 0.889 0.557 0.895 0.632 CB 1.498 20 residues pruned to eliminate duplicates Z: 22 24.789 2.191 0.777 0.520 0.905 0.667 CB 1.505 22 residues pruned to eliminate duplicates Z: 26 22.370 2.053 0.862 0.444 0.960 0.400 CB 1.292 26 residues pruned to eliminate duplicates Z: 30 22.469 2.117 0.755 0.520 0.862 0.448 CB 1.278 30 residues pruned to eliminate duplicates Z: 14 12.044 2.024 0.617 0.470 0.769 0.615 CB 1.367 14 residues pruned to eliminate duplicates Z: 26 15.589 2.045 0.708 0.456 0.840 0.600 CB 1.111 26 residues pruned to eliminate duplicates Z: 22 24.295 2.223 0.751 0.583 0.952 0.571 CB 1.321 22 residues pruned to eliminate duplicates Z: 26 23.459 2.187 0.863 0.576 0.880 0.560 CB 1.216 26 residues pruned to eliminate duplicates Z: 17 13.569 1.944 0.762 0.536 0.875 0.562 CB 1.092 17 residues pruned to eliminate duplicates Z: 18 13.035 1.987 0.588 0.473 0.882 0.647 CB 1.167 18 residues pruned to eliminate duplicates Z: 16 16.935 2.060 0.658 0.567 0.933 0.533 CB 1.286 16 residues pruned to eliminate duplicates Z: 26 30.593 2.249 0.958 0.575 0.960 0.560 CB 1.346 26 residues pruned to eliminate duplicates Z: 28 29.184 2.204 0.912 0.601 0.889 0.556 CB 1.362 28 residues pruned to eliminate duplicates Z: 26 28.441 2.189 0.955 0.563 0.920 0.440 CB 1.359 26 residues pruned to eliminate duplicates Z: 26 29.579 2.198 0.943 0.568 0.920 0.440 CB 1.410 26 residues pruned to eliminate duplicates Z: 76 26.430 2.033 0.550 0.453 0.827 0.480 CB 1.229 80 residues pruned to eliminate duplicates Z: 8 16.649 2.045 0.367 0.815 1.000 1.000 CB 1.711 8 residues pruned to eliminate duplicates Z: 31 16.432 1.945 0.548 0.517 0.800 0.433 CB 1.225 31 residues pruned to eliminate duplicates Z: 17 16.533 2.061 0.745 0.515 0.875 0.500 CB 1.294 17 residues pruned to eliminate duplicates Z: 12 14.723 1.977 0.729 0.631 0.818 0.273 CB 1.404 12 residues pruned to eliminate duplicates Z: 33 36.264 2.157 1.000 0.579 0.906 0.500 CB 1.519 33 residues pruned to eliminate duplicates Z: 10 10.272 1.966 0.497 0.542 0.778 0.444 N 1.434 10 residues pruned to eliminate duplicates Z: 25 15.673 2.053 0.541 0.526 0.750 0.417 CB 1.313 25 residues pruned to eliminate duplicates Z: 22 9.837 1.934 0.226 0.445 0.905 0.429 CB 1.059 22 residues pruned to eliminate duplicates Z: 72 27.480 1.994 0.597 0.473 0.831 0.592 CB 1.267 72 residues pruned to eliminate duplicates Z: 40 19.002 1.990 0.476 0.422 0.872 0.538 CB 1.289 40 residues pruned to eliminate duplicates Z: 17 12.462 2.051 0.463 0.545 0.938 0.625 CB 1.060 17 residues pruned to eliminate duplicates Z: 73 29.386 1.999 0.482 0.439 0.917 0.514 CB 1.358 73 residues pruned to eliminate duplicates Z: 30 13.435 1.936 0.449 0.470 0.862 0.448 CB 1.064 30 residues pruned to eliminate duplicates Z: 28 11.049 1.898 0.351 0.423 0.852 0.370 CB 1.054 28 residues pruned to eliminate duplicates Z: 25 13.875 2.000 0.355 0.492 0.917 0.583 CB 1.149 25 residues pruned to eliminate duplicates Z: 29 13.167 2.004 0.293 0.466 0.821 0.536 CB 1.210 29 residues pruned to eliminate duplicates Z: 45 16.020 1.972 0.391 0.420 0.795 0.568 CB 1.202 45 residues pruned to eliminate duplicates Z: 23 11.017 1.933 0.504 0.438 0.818 0.636 CB 1.052 23 residues pruned to eliminate duplicates Z: 13 8.081 1.946 0.217 0.499 0.917 0.667 CB 1.076 13 residues pruned to eliminate duplicates Z: 18 10.785 1.972 0.331 0.525 0.765 0.706 CB 1.271 18 residues pruned to eliminate duplicates Z: 51 25.063 2.050 0.761 0.448 0.860 0.540 CB 1.205 51 residues pruned to eliminate duplicates Z: 35 20.056 1.983 0.603 0.515 0.882 0.500 CB 1.209 35 residues pruned to eliminate duplicates Z: 9 10.033 2.069 0.236 0.661 1.000 0.625 CB 1.194 9 residues pruned to eliminate duplicates Z: 65 31.846 2.034 0.598 0.488 0.922 0.516 CB 1.344 65 residues pruned to eliminate duplicates Z: 33 15.267 1.988 0.334 0.429 0.875 0.594 CB 1.253 33 residues pruned to eliminate duplicates Z: 89 35.901 2.060 0.621 0.505 0.875 0.500 CB 1.303 89 residues pruned to eliminate duplicates 7 1.826 1.550 0.603 0.106 0.667 0.333 CB 0.743 ? Z: 13 8.408 1.852 0.270 0.488 0.833 0.583 CB 1.253 13 residues pruned to eliminate duplicates Z: 26 13.850 1.925 0.411 0.410 0.800 0.480 CB 1.401 26 residues pruned to eliminate duplicates Z: 24 14.666 1.958 0.406 0.479 0.826 0.609 CB 1.373 24 residues pruned to eliminate duplicates Z: 25 16.024 1.922 0.554 0.424 0.917 0.583 CB 1.293 25 residues pruned to eliminate duplicates Z: 53 28.686 1.995 0.565 0.515 0.885 0.558 CB 1.420 53 residues pruned to eliminate duplicates Z: 17 9.829 1.814 0.486 0.414 0.750 0.500 CB 1.330 17 residues pruned to eliminate duplicates Z: 26 9.478 1.928 0.327 0.286 0.760 0.600 CB 1.240 26 residues pruned to eliminate duplicates Z: 49 29.791 2.054 0.628 0.477 0.938 0.625 CB 1.403 49 residues pruned to eliminate duplicates Z: 24 9.187 1.880 0.363 0.336 0.739 0.348 CB 1.211 24 residues pruned to eliminate duplicates Z: 12 9.341 1.888 0.378 0.444 0.909 0.636 CB 1.261 12 residues pruned to eliminate duplicates Z: 47 31.097 2.013 0.690 0.518 0.913 0.543 CB 1.449 47 residues pruned to eliminate duplicates Z: 53 35.142 1.993 0.729 0.537 0.981 0.577 CB 1.390 53 residues pruned to eliminate duplicates Z: 51 31.828 2.028 0.731 0.514 0.940 0.500 CB 1.344 51 residues pruned to eliminate duplicates Z: 29 13.494 1.922 0.470 0.312 0.821 0.464 CB 1.353 29 residues pruned to eliminate duplicates Z: 25 16.303 1.942 0.674 0.423 0.917 0.417 CB 1.211 25 residues pruned to eliminate duplicates Z: 49 28.866 2.050 0.558 0.487 0.917 0.542 CB 1.442 49 residues pruned to eliminate duplicates Z: 53 33.622 2.019 0.564 0.548 0.981 0.615 CB 1.437 53 residues pruned to eliminate duplicates Z: 46 30.031 2.039 0.669 0.476 0.933 0.444 CB 1.445 46 residues pruned to eliminate duplicates Z: 52 30.632 2.021 0.617 0.521 0.922 0.647 CB 1.394 52 residues pruned to eliminate duplicates Z: 46 29.804 2.075 0.558 0.520 0.911 0.689 CB 1.478 46 residues pruned to eliminate duplicates Z: 51 32.924 2.055 0.635 0.512 0.920 0.620 CB 1.489 51 residues pruned to eliminate duplicates Z: 16 22.993 1.796 0.883 0.774 1.000 0.867 CB 1.377 16 residues pruned to eliminate duplicates Z: 51 31.506 2.031 0.706 0.486 0.920 0.520 CB 1.418 51 residues pruned to eliminate duplicates Z: 46 27.193 2.033 0.615 0.475 0.911 0.622 CB 1.390 46 residues pruned to eliminate duplicates Z: 53 29.098 2.000 0.644 0.510 0.923 0.673 CB 1.316 53 residues pruned to eliminate duplicates Z: 49 32.475 2.011 0.748 0.510 0.938 0.521 CB 1.408 49 residues pruned to eliminate duplicates Z: 30 29.114 2.027 0.711 0.577 0.966 0.517 CB 1.500 30 residues pruned to eliminate duplicates Z: 30 33.193 2.092 0.868 0.566 1.000 0.621 CB 1.481 30 residues pruned to eliminate duplicates Z: 51 36.408 2.047 0.840 0.526 0.940 0.520 CB 1.417 51 residues pruned to eliminate duplicates Z: 30 34.427 2.057 0.903 0.583 0.966 0.586 CB 1.562 30 residues pruned to eliminate duplicates Z: 53 34.946 2.012 0.713 0.530 0.942 0.615 CB 1.449 52 residues pruned to eliminate duplicates Z: 12 21.591 1.953 1.076 0.874 1.000 0.636 CB 1.169 12 residues pruned to eliminate duplicates Z: 52 29.098 1.985 0.640 0.525 0.941 0.608 CB 1.297 52 residues pruned to eliminate duplicates Z: 30 28.910 2.078 0.871 0.535 0.897 0.586 CB 1.488 30 residues pruned to eliminate duplicates Z: 50 32.314 2.052 0.748 0.525 0.918 0.592 CB 1.368 50 residues pruned to eliminate duplicates Z: 54 31.317 1.993 0.748 0.488 0.887 0.585 CB 1.410 54 residues pruned to eliminate duplicates Z: 46 32.149 2.053 0.750 0.531 0.911 0.533 CB 1.421 46 residues pruned to eliminate duplicates Z: 31 34.299 2.038 0.874 0.611 0.967 0.633 CB 1.526 31 residues pruned to eliminate duplicates Z: 53 27.384 1.965 0.695 0.524 0.846 0.462 CB 1.316 53 residues pruned to eliminate duplicates Z: 21 24.739 2.057 0.927 0.591 0.950 0.450 CB 1.347 21 residues pruned to eliminate duplicates Z: 12 15.556 1.971 0.748 0.415 0.909 0.636 CB 1.636 12 residues pruned to eliminate duplicates Z: 30 31.420 2.070 0.877 0.610 0.931 0.724 CB 1.453 30 residues pruned to eliminate duplicates Z: 11 17.147 2.080 0.862 0.338 1.000 0.500 CA 1.670 11 residues pruned to eliminate duplicates Z: 13 16.608 1.978 0.662 0.402 1.000 0.667 CB 1.616 13 residues pruned to eliminate duplicates Z: 8 8.652 1.797 0.242 0.850 1.000 1.000 CB 1.086 8 residues pruned to eliminate duplicates Z: 9 6.858 1.892 0.127 0.706 1.000 0.625 CB 0.943 9 residues pruned to eliminate duplicates Z: 10 6.878 1.799 0.130 0.587 1.000 0.556 CB 1.037 10 residues pruned to eliminate duplicates Z: 10 7.319 1.809 0.560 0.630 0.889 0.778 CB 0.860 10 residues pruned to eliminate duplicates Z: 13 7.406 1.574 0.396 0.453 1.000 0.500 CB 1.021 13 residues pruned to eliminate duplicates Z: 10 7.464 1.765 0.143 0.667 1.000 0.556 CB 1.057 10 residues pruned to eliminate duplicates Z: 30 25.012 2.107 0.412 0.595 0.966 0.448 CB 1.477 30 residues pruned to eliminate duplicates Z: 62 28.989 2.099 0.556 0.426 0.852 0.459 CB 1.439 62 residues pruned to eliminate duplicates Z: 59 25.562 2.114 0.443 0.438 0.862 0.379 CB 1.360 59 residues pruned to eliminate duplicates Z: 84 52.648 2.200 0.792 0.519 0.928 0.518 CB 1.550 84 residues pruned to eliminate duplicates Z: 82 51.849 2.212 0.759 0.556 0.914 0.580 CB 1.535 82 residues pruned to eliminate duplicates Z: 50 31.520 2.222 0.726 0.424 0.837 0.490 CB 1.519 50 residues pruned to eliminate duplicates Z: 20 23.201 2.170 0.516 0.579 0.947 0.684 CB 1.582 20 residues pruned to eliminate duplicates Z: 42 28.609 2.182 0.513 0.420 0.927 0.512 CB 1.587 42 residues pruned to eliminate duplicates Z: 86 50.240 2.201 0.709 0.522 0.918 0.576 CB 1.545 86 residues pruned to eliminate duplicates Z: 80 37.674 2.160 0.563 0.481 0.899 0.557 CB 1.424 80 residues pruned to eliminate duplicates Z: 20 24.979 2.272 0.489 0.622 0.947 0.421 CB 1.594 20 residues pruned to eliminate duplicates Z: 34 24.269 2.040 0.666 0.571 0.879 0.667 CB 1.321 34 residues pruned to eliminate duplicates Z: 81 51.664 2.248 0.695 0.556 0.913 0.600 CB 1.574 81 residues pruned to eliminate duplicates Z: 29 20.434 2.104 0.314 0.587 0.893 0.571 CB 1.439 29 residues pruned to eliminate duplicates Z: 77 40.862 2.150 0.693 0.507 0.855 0.513 CB 1.494 77 residues pruned to eliminate duplicates Z: 88 49.915 2.153 0.760 0.554 0.897 0.563 CB 1.495 88 residues pruned to eliminate duplicates Z: 29 20.003 2.073 0.497 0.524 0.857 0.500 CB 1.388 29 residues pruned to eliminate duplicates Z: 59 29.584 2.111 0.631 0.468 0.845 0.603 CB 1.380 59 residues pruned to eliminate duplicates Z: 29 20.847 1.978 0.448 0.539 0.964 0.500 CB 1.373 29 residues pruned to eliminate duplicates Z: 20 16.143 2.092 0.541 0.491 0.842 0.632 CB 1.377 20 residues pruned to eliminate duplicates Z: 49 30.406 2.201 0.604 0.443 0.875 0.500 CB 1.508 49 residues pruned to eliminate duplicates Z: 55 27.877 2.131 0.514 0.431 0.870 0.481 CB 1.451 55 residues pruned to eliminate duplicates Z: 60 34.126 2.131 0.616 0.465 0.898 0.475 CB 1.489 60 residues pruned to eliminate duplicates Z: 61 32.334 2.092 0.662 0.443 0.900 0.483 CB 1.415 61 residues pruned to eliminate duplicates Z: 93 48.319 2.185 0.559 0.564 0.924 0.630 CB 1.504 93 residues pruned to eliminate duplicates Z: 68 38.221 2.138 0.724 0.464 0.851 0.537 CB 1.544 68 residues pruned to eliminate duplicates Z: 37 20.665 2.097 0.495 0.304 0.944 0.528 CB 1.448 37 residues pruned to eliminate duplicates Z: 29 22.494 2.193 0.638 0.350 0.929 0.571 CB 1.499 29 residues pruned to eliminate duplicates Z: 30 25.823 2.233 0.744 0.359 0.931 0.586 CB 1.540 30 residues pruned to eliminate duplicates Z: 29 20.728 2.233 0.493 0.362 0.893 0.500 CB 1.527 29 residues pruned to eliminate duplicates Z: 27 19.908 2.254 0.673 0.254 0.885 0.385 CB 1.551 27 residues pruned to eliminate duplicates Z: 27 21.183 2.242 0.643 0.338 0.846 0.462 CA 1.591 27 residues pruned to eliminate duplicates Z: 64 51.658 2.218 0.856 0.530 0.952 0.619 CB 1.611 64 residues pruned to eliminate duplicates Z: 60 49.392 2.240 0.773 0.566 0.949 0.729 CA 1.600 60 residues pruned to eliminate duplicates Z: 92 57.022 2.182 0.713 0.599 0.934 0.670 CB 1.558 92 residues pruned to eliminate duplicates Z: 30 22.836 2.215 0.596 0.352 0.897 0.483 CA 1.570 30 residues pruned to eliminate duplicates Z: 30 25.209 2.194 0.779 0.347 0.931 0.586 CA 1.521 30 residues pruned to eliminate duplicates Z: 69 49.498 2.180 0.777 0.566 0.926 0.603 CB 1.569 69 residues pruned to eliminate duplicates Z: 91 53.186 2.199 0.683 0.561 0.933 0.589 CB 1.530 91 residues pruned to eliminate duplicates Z: 31 27.855 2.139 0.805 0.342 1.000 0.400 CA 1.564 31 residues pruned to eliminate duplicates Z: 58 43.691 2.222 0.893 0.470 0.895 0.649 CB 1.586 58 residues pruned to eliminate duplicates Z: 89 50.572 2.200 0.639 0.577 0.920 0.659 CB 1.509 89 residues pruned to eliminate duplicates Z: 31 20.558 2.136 0.606 0.309 0.933 0.367 CB 1.449 31 residues pruned to eliminate duplicates Z: 81 54.976 2.203 0.789 0.570 0.925 0.650 CB 1.576 81 residues pruned to eliminate duplicates Z: 60 53.129 2.284 0.863 0.571 0.949 0.712 CB 1.599 60 residues pruned to eliminate duplicates Z: 71 53.897 2.183 0.826 0.623 0.929 0.657 CA 1.549 71 residues pruned to eliminate duplicates Z: 59 48.443 2.218 0.836 0.549 0.966 0.707 CB 1.542 59 residues pruned to eliminate duplicates Z: 61 55.884 2.266 0.947 0.559 0.917 0.650 CB 1.684 61 residues pruned to eliminate duplicates Z: 49 51.453 2.134 0.918 0.767 0.958 0.812 CA 1.494 49 residues pruned to eliminate duplicates Z: 71 58.633 2.182 0.902 0.615 0.943 0.600 CB 1.606 71 residues pruned to eliminate duplicates Z: 31 36.818 2.249 0.833 0.668 0.900 0.733 CA 1.551 31 residues pruned to eliminate duplicates Z: 38 47.948 2.176 0.928 0.668 0.946 0.595 CB 1.701 38 residues pruned to eliminate duplicates Z: 44 47.384 2.127 0.982 0.693 0.930 0.605 CB 1.545 44 residues pruned to eliminate duplicates Z: 35 50.661 2.253 0.956 0.737 0.912 0.765 CB 1.748 35 residues pruned to eliminate duplicates Z: 65 54.976 2.227 0.918 0.582 0.922 0.656 CA 1.613 65 residues pruned to eliminate duplicates Z: 39 49.984 2.248 0.935 0.737 0.921 0.763 CA 1.636 39 residues pruned to eliminate duplicates Z: 67 48.998 2.174 0.827 0.576 0.909 0.621 CB 1.552 67 residues pruned to eliminate duplicates Z: 46 55.974 2.144 0.963 0.783 0.956 0.711 CB 1.618 46 residues pruned to eliminate duplicates Z: 61 48.307 2.220 0.802 0.548 0.933 0.633 CA 1.594 61 residues pruned to eliminate duplicates Z: 86 47.917 2.148 0.810 0.498 0.871 0.541 CB 1.538 86 residues pruned to eliminate duplicates Z: 48 57.812 2.191 0.897 0.775 0.979 0.766 CA 1.626 48 residues pruned to eliminate duplicates Z: 60 50.587 2.196 0.854 0.541 0.966 0.576 CA 1.608 60 residues pruned to eliminate duplicates Z: 44 57.477 2.199 0.932 0.814 0.953 0.860 CB 1.646 44 residues pruned to eliminate duplicates Z: 40 47.134 2.211 1.036 0.679 0.923 0.667 CB 1.541 40 residues pruned to eliminate duplicates Z: 41 44.984 2.185 0.985 0.680 0.925 0.525 CB 1.502 41 residues pruned to eliminate duplicates Z: 46 51.547 2.092 0.892 0.748 0.956 0.711 CB 1.628 46 residues pruned to eliminate duplicates Z: 29 27.398 1.923 0.878 0.648 0.893 0.714 CB 1.399 29 residues pruned to eliminate duplicates Z: 49 64.370 2.173 1.101 0.770 0.979 0.667 CA 1.636 50 residues pruned to eliminate duplicates Z: 24 28.941 1.930 0.729 0.842 0.913 0.696 CB 1.475 24 residues pruned to eliminate duplicates Z: 69 47.962 2.165 0.866 0.573 0.897 0.544 CB 1.495 68 residues pruned to eliminate duplicates Z: 29 42.220 2.059 0.871 0.930 1.000 0.786 CB 1.448 29 residues pruned to eliminate duplicates Z: 42 58.680 2.179 0.976 0.838 0.976 0.707 CA 1.630 42 residues pruned to eliminate duplicates Z: 35 53.886 2.239 1.262 0.746 0.912 0.471 CB 1.606 35 residues pruned to eliminate duplicates Z: 44 54.895 2.159 0.985 0.792 0.953 0.605 CB 1.585 44 residues pruned to eliminate duplicates Z: 46 43.686 2.129 0.973 0.693 0.933 0.467 CB 1.393 46 residues pruned to eliminate duplicates Z: 44 59.575 2.175 1.042 0.816 0.977 0.721 CB 1.592 44 residues pruned to eliminate duplicates Z: 44 57.371 2.162 1.069 0.806 0.953 0.535 CB 1.571 45 residues pruned to eliminate duplicates Z: 29 46.866 2.027 1.011 0.936 1.000 0.607 CB 1.513 29 residues pruned to eliminate duplicates Z: 33 41.996 2.044 0.982 0.807 0.938 0.656 CB 1.496 32 residues pruned to eliminate duplicates Z: 29 43.985 2.016 0.927 0.928 1.000 0.571 CB 1.499 29 residues pruned to eliminate duplicates Z: 44 60.980 2.169 1.127 0.813 0.953 0.488 CB 1.610 44 residues pruned to eliminate duplicates Z: 24 18.792 1.788 0.628 0.691 0.826 0.478 CB 1.367 24 residues pruned to eliminate duplicates Z: 22 21.756 1.815 0.744 0.709 0.857 0.524 CB 1.447 22 residues pruned to eliminate duplicates Z: 71 55.404 2.178 0.897 0.615 0.900 0.486 CB 1.598 71 residues pruned to eliminate duplicates Z: 51 56.710 2.113 1.100 0.742 0.940 0.480 CB 1.548 51 residues pruned to eliminate duplicates Z: 24 25.631 1.770 0.971 0.694 0.870 0.522 CB 1.476 24 residues pruned to eliminate duplicates Z: 71 58.939 2.182 0.964 0.626 0.943 0.457 CB 1.549 71 residues pruned to eliminate duplicates Z: 45 48.300 2.104 0.898 0.772 0.932 0.523 CB 1.538 45 residues pruned to eliminate duplicates Z: 32 43.022 2.014 0.974 0.864 0.968 0.516 CB 1.472 32 residues pruned to eliminate duplicates Z: 73 53.550 2.191 0.877 0.581 0.917 0.431 CB 1.548 73 residues pruned to eliminate duplicates Z: 30 26.328 2.047 0.777 0.523 0.828 0.586 CB 1.588 30 residues pruned to eliminate duplicates Z: 11 22.318 2.217 0.697 0.723 1.000 0.800 CA 1.534 11 residues pruned to eliminate duplicates Z: 23 25.676 2.014 0.652 0.635 0.909 0.545 CB 1.594 23 residues pruned to eliminate duplicates Z: 14 15.436 2.073 0.700 0.548 0.846 0.308 CB 1.370 14 residues pruned to eliminate duplicates Z: 12 15.398 2.155 0.728 0.566 0.818 0.182 CA 1.429 12 residues pruned to eliminate duplicates Z: 26 25.477 2.132 0.775 0.566 0.840 0.400 CB 1.503 27 residues pruned to eliminate duplicates Z: 9 22.703 2.237 0.594 0.901 1.000 0.625 CA 1.606 9 residues pruned to eliminate duplicates Z: 15 18.685 1.940 0.931 0.538 0.786 0.429 CB 1.635 14 residues pruned to eliminate duplicates Z: 9 18.284 2.069 0.807 0.830 0.750 0.375 CA 1.733 9 residues pruned to eliminate duplicates Z: 27 28.795 2.135 0.864 0.530 0.923 0.346 CB 1.493 27 residues pruned to eliminate duplicates Z: 10 9.550 2.054 0.944 0.648 0.556 0.222 CB 1.249 10 residues pruned to eliminate duplicates Z: 25 16.644 1.993 0.568 0.453 0.833 0.458 CB 1.369 25 residues pruned to eliminate duplicates Z: 26 21.059 2.045 0.729 0.476 0.880 0.520 CB 1.387 26 residues pruned to eliminate duplicates Z: 18 15.549 1.914 0.630 0.460 0.824 0.529 CB 1.528 18 residues pruned to eliminate duplicates Z: 28 23.166 2.087 0.573 0.497 0.889 0.519 CA 1.533 27 residues pruned to eliminate duplicates Z: 6 3.888 1.613 0.299 0.331 0.800 0.600 N 1.249 6 residues pruned to eliminate duplicates Z: 26 15.012 1.932 0.577 0.428 0.880 0.480 CB 1.207 26 residues pruned to eliminate duplicates Z: 50 26.501 2.001 0.623 0.465 0.837 0.388 CB 1.444 50 residues pruned to eliminate duplicates Z: 28 22.027 2.124 0.655 0.524 0.815 0.481 CB 1.445 28 residues pruned to eliminate duplicates Z: 46 30.151 2.116 0.885 0.503 0.844 0.378 CB 1.330 48 residues pruned to eliminate duplicates Z: 9 13.163 1.901 0.457 0.764 0.875 0.375 CA 1.518 9 residues pruned to eliminate duplicates Z: 27 24.200 2.120 0.749 0.520 0.885 0.577 CB 1.418 27 residues pruned to eliminate duplicates Z: 50 32.369 2.151 0.652 0.522 0.878 0.510 CB 1.451 45 residues pruned to eliminate duplicates Z: 9 17.475 1.927 0.716 0.680 1.000 0.500 CA 1.584 9 residues pruned to eliminate duplicates Z: 25 23.623 2.177 0.643 0.465 0.917 0.625 CB 1.524 24 residues pruned to eliminate duplicates Z: 6 11.347 2.153 -0.052 0.847 1.000 0.800 CA 1.847 6 residues pruned to eliminate duplicates Z: 19 18.376 2.105 0.623 0.524 0.833 0.667 CB 1.485 19 residues pruned to eliminate duplicates Z: 27 18.498 2.057 0.474 0.482 0.846 0.615 CB 1.439 27 residues pruned to eliminate duplicates Z: 20 15.046 2.072 0.603 0.510 0.684 0.526 CB 1.503 20 residues pruned to eliminate duplicates Z: 10 19.644 2.061 0.631 0.611 1.000 0.444 CA 1.753 10 residues pruned to eliminate duplicates Z: 19 20.858 2.159 0.830 0.557 0.833 0.389 CB 1.413 19 residues pruned to eliminate duplicates Z: 27 24.795 2.141 0.853 0.517 0.923 0.538 CB 1.306 27 residues pruned to eliminate duplicates Z: 16 24.442 2.232 0.786 0.613 0.867 0.667 CB 1.642 16 residues pruned to eliminate duplicates Z: 38 26.618 2.118 0.629 0.438 0.919 0.541 CB 1.472 38 residues pruned to eliminate duplicates Z: 27 18.566 1.999 0.935 0.454 0.808 0.577 CB 1.222 27 residues pruned to eliminate duplicates Z: 19 22.416 2.193 1.132 0.499 0.833 0.500 CB 1.357 19 residues pruned to eliminate duplicates Z: 17 14.395 2.102 0.659 0.476 0.875 0.500 CB 1.209 17 residues pruned to eliminate duplicates Z: 28 22.051 2.073 0.789 0.463 0.926 0.407 CB 1.284 28 residues pruned to eliminate duplicates Z: 26 22.496 2.103 0.885 0.505 0.920 0.560 CB 1.228 26 residues pruned to eliminate duplicates Z: 29 23.280 2.087 0.792 0.489 0.893 0.464 CB 1.332 27 residues pruned to eliminate duplicates Z: 6 2.825 1.723 0.176 0.624 0.600 0.600 CB 0.925 6 residues pruned to eliminate duplicates Z: 12 6.923 1.881 0.066 0.477 0.909 0.364 CB 1.172 12 residues pruned to eliminate duplicates Z: 26 20.260 2.107 0.736 0.513 0.880 0.440 CB 1.242 26 residues pruned to eliminate duplicates Z: 10 10.841 2.016 0.383 0.430 0.889 0.556 N 1.568 13 residues pruned to eliminate duplicates Z: 6 3.547 1.346 0.473 0.456 0.800 0.400 CA 1.047 Z: 13 9.984 1.849 0.431 0.425 0.917 0.417 CB 1.285 19 residues pruned to eliminate duplicates Z: 6 4.760 1.554 0.459 0.450 0.800 0.600 CA 1.235 Z: 9 5.984 1.467 0.408 0.519 1.000 0.250 CB 1.005 15 residues pruned to eliminate duplicates Z: 40 26.097 2.012 0.571 0.498 0.897 0.487 CB 1.475 40 residues pruned to eliminate duplicates Z: 42 23.897 2.015 0.432 0.529 0.927 0.610 CB 1.357 42 residues pruned to eliminate duplicates Z: 39 25.777 2.041 0.442 0.564 0.921 0.605 CB 1.449 39 residues pruned to eliminate duplicates Z: 17 10.399 1.827 0.298 0.497 0.875 0.625 CB 1.257 17 residues pruned to eliminate duplicates Z: 40 27.131 2.021 0.481 0.576 0.923 0.615 CB 1.462 40 residues pruned to eliminate duplicates Z: 37 21.540 2.025 0.460 0.490 0.889 0.583 CB 1.380 37 residues pruned to eliminate duplicates Z: 22 24.898 2.079 0.562 0.641 0.905 0.714 CB 1.622 22 residues pruned to eliminate duplicates Z: 27 24.781 2.081 0.533 0.629 0.923 0.538 CB 1.461 27 residues pruned to eliminate duplicates Z: 39 27.335 2.022 0.444 0.526 0.974 0.553 CB 1.521 39 residues pruned to eliminate duplicates Z: 22 22.762 2.105 0.446 0.655 0.905 0.524 CB 1.562 22 residues pruned to eliminate duplicates Z: 41 25.767 2.017 0.519 0.527 0.900 0.650 CB 1.439 41 residues pruned to eliminate duplicates Z: 33 20.588 1.985 0.401 0.567 0.906 0.500 CB 1.353 33 residues pruned to eliminate duplicates Z: 39 26.105 2.034 0.572 0.538 0.895 0.684 CB 1.426 39 residues pruned to eliminate duplicates Z: 39 26.863 2.015 0.585 0.562 0.895 0.605 CB 1.435 39 residues pruned to eliminate duplicates Z: 65 35.118 2.001 0.506 0.609 0.938 0.578 CB 1.402 65 residues pruned to eliminate duplicates Z: 21 22.294 2.008 0.630 0.771 0.900 0.400 CB 1.332 21 residues pruned to eliminate duplicates Z: 36 22.374 1.982 0.473 0.520 0.886 0.486 CB 1.433 36 residues pruned to eliminate duplicates Z: 29 16.742 1.939 0.675 0.521 0.821 0.500 CB 1.161 29 residues pruned to eliminate duplicates Z: 37 23.985 2.047 0.534 0.560 0.889 0.444 CB 1.351 37 residues pruned to eliminate duplicates Z: 27 30.850 2.091 0.662 0.642 1.000 0.538 CB 1.525 27 residues pruned to eliminate duplicates Z: 28 31.864 2.080 0.709 0.610 0.963 0.556 CB 1.613 28 residues pruned to eliminate duplicates Z: 40 27.109 2.034 0.572 0.542 0.923 0.538 CB 1.411 40 residues pruned to eliminate duplicates Z: 31 25.971 2.047 0.616 0.595 0.967 0.533 CB 1.354 31 residues pruned to eliminate duplicates Z: 34 22.891 2.000 0.497 0.571 0.909 0.515 CB 1.367 34 residues pruned to eliminate duplicates Z: 26 28.537 2.052 0.818 0.637 0.920 0.440 CB 1.463 26 residues pruned to eliminate duplicates Z: 31 23.537 2.056 0.533 0.608 0.900 0.600 CB 1.368 31 residues pruned to eliminate duplicates Z: 28 26.597 2.080 0.561 0.646 0.963 0.519 CB 1.428 28 residues pruned to eliminate duplicates Z: 32 26.550 2.045 0.617 0.589 0.903 0.516 CB 1.465 32 residues pruned to eliminate duplicates Z: 43 25.053 1.986 0.562 0.560 0.929 0.452 CB 1.267 43 residues pruned to eliminate duplicates Z: 44 23.641 1.990 0.452 0.513 0.907 0.512 CB 1.358 44 residues pruned to eliminate duplicates Z: 44 26.374 1.979 0.508 0.548 0.930 0.535 CB 1.382 44 residues pruned to eliminate duplicates Z: 32 25.051 2.002 0.559 0.650 0.903 0.710 CB 1.387 32 residues pruned to eliminate duplicates Z: 31 25.985 2.033 0.632 0.627 0.933 0.700 CB 1.359 31 residues pruned to eliminate duplicates Z: 83 38.541 1.995 0.533 0.592 0.915 0.573 CB 1.393 83 residues pruned to eliminate duplicates Z: 37 27.252 1.944 0.484 0.689 0.944 0.583 CB 1.402 37 residues pruned to eliminate duplicates Z: 43 27.752 1.978 0.497 0.605 0.929 0.667 CB 1.408 43 residues pruned to eliminate duplicates Z: 84 38.256 1.992 0.554 0.602 0.904 0.590 CB 1.362 84 residues pruned to eliminate duplicates Z: 48 24.428 1.887 0.430 0.610 0.894 0.511 CB 1.332 48 residues pruned to eliminate duplicates Z: 37 31.045 2.002 0.432 0.746 0.972 0.694 CB 1.491 37 residues pruned to eliminate duplicates Z: 37 30.456 2.057 0.491 0.719 0.944 0.778 CB 1.438 37 residues pruned to eliminate duplicates Z: 72 35.971 1.990 0.609 0.588 0.930 0.479 CB 1.318 72 residues pruned to eliminate duplicates Z: 74 39.324 2.017 0.570 0.632 0.918 0.548 CB 1.399 74 residues pruned to eliminate duplicates Z: 29 30.422 2.086 0.549 0.762 0.929 0.607 CB 1.518 29 residues pruned to eliminate duplicates Z: 59 43.881 2.079 0.676 0.698 0.948 0.655 CB 1.456 59 residues pruned to eliminate duplicates Z: 42 32.766 2.014 0.528 0.698 0.976 0.707 CB 1.423 42 residues pruned to eliminate duplicates Z: 61 35.852 2.027 0.595 0.674 0.900 0.500 CB 1.356 61 residues pruned to eliminate duplicates Z: 72 37.845 2.001 0.608 0.635 0.901 0.634 CB 1.364 72 residues pruned to eliminate duplicates Z: 38 30.257 2.012 0.656 0.677 0.919 0.568 CB 1.380 38 residues pruned to eliminate duplicates Z: 27 35.494 2.105 0.661 0.806 1.000 0.538 CB 1.524 27 residues pruned to eliminate duplicates Z: 31 32.871 2.087 0.605 0.746 0.967 0.567 CB 1.487 31 residues pruned to eliminate duplicates Z: 28 32.911 2.065 0.576 0.818 0.963 0.667 CB 1.533 28 residues pruned to eliminate duplicates Z: 71 37.387 1.955 0.637 0.651 0.900 0.586 CB 1.348 71 residues pruned to eliminate duplicates Z: 33 31.948 2.045 0.606 0.732 0.969 0.625 CB 1.440 33 residues pruned to eliminate duplicates Z: 58 41.045 2.001 0.591 0.707 0.947 0.684 CB 1.493 52 residues pruned to eliminate duplicates Z: 22 33.706 2.021 0.867 0.903 1.000 0.762 CB 1.390 22 residues pruned to eliminate duplicates Z: 29 34.218 2.076 0.704 0.777 0.964 0.536 CB 1.484 29 residues pruned to eliminate duplicates Z: 65 43.097 2.080 0.556 0.679 0.953 0.625 CB 1.482 64 residues pruned to eliminate duplicates Z: 23 26.596 2.073 0.732 0.882 0.864 0.727 CB 1.323 23 residues pruned to eliminate duplicates Z: 41 31.737 2.005 0.713 0.669 0.925 0.475 CB 1.352 41 residues pruned to eliminate duplicates Z: 97 45.747 2.025 0.652 0.634 0.906 0.562 CB 1.357 97 residues pruned to eliminate duplicates Z: 83 37.640 1.995 0.584 0.639 0.854 0.598 CB 1.353 83 residues pruned to eliminate duplicates Z: 87 49.800 2.040 0.669 0.662 0.919 0.628 CB 1.477 87 residues pruned to eliminate duplicates Z: 40 33.875 1.993 0.540 0.713 0.974 0.513 CB 1.495 40 residues pruned to eliminate duplicates Z: 99 44.243 2.007 0.555 0.626 0.908 0.541 CB 1.400 99 residues pruned to eliminate duplicates Z: 43 29.929 1.989 0.646 0.677 0.929 0.524 CB 1.291 43 residues pruned to eliminate duplicates Z: 33 28.522 1.970 0.584 0.694 1.000 0.594 CB 1.353 33 residues pruned to eliminate duplicates Z: 38 32.988 2.031 0.752 0.708 0.946 0.649 CB 1.334 38 residues pruned to eliminate duplicates Z: 56 41.737 2.027 0.653 0.716 0.909 0.600 CB 1.520 64 residues pruned to eliminate duplicates Z: 6 4.090 1.627 0.503 0.279 1.000 0.600 CA 0.960 6 residues pruned to eliminate duplicates Z: 71 40.887 2.024 0.597 0.649 0.929 0.557 CB 1.417 71 residues pruned to eliminate duplicates Z: 100 43.164 1.987 0.639 0.640 0.879 0.556 CB 1.330 100 residues pruned to eliminate duplicates Z: 47 27.381 1.960 0.577 0.609 0.848 0.609 CB 1.389 47 residues pruned to eliminate duplicates Z: 101 44.981 2.019 0.582 0.629 0.890 0.580 CB 1.401 101 residues pruned to eliminate duplicates Z: 19 23.364 2.112 0.370 0.735 0.944 0.778 CB 1.631 19 residues pruned to eliminate duplicates Z: 61 40.444 2.020 0.698 0.680 0.933 0.600 CB 1.382 61 residues pruned to eliminate duplicates Z: 56 38.606 2.054 0.638 0.685 0.891 0.636 CB 1.465 56 residues pruned to eliminate duplicates Z: 57 37.969 2.042 0.600 0.700 0.929 0.661 CB 1.394 57 residues pruned to eliminate duplicates Z: 19 26.310 2.115 0.495 0.715 1.000 0.833 CB 1.613 19 residues pruned to eliminate duplicates Z: 18 23.190 2.129 0.342 0.738 0.882 0.824 CA 1.802 18 residues pruned to eliminate duplicates Z: 27 27.476 2.096 0.491 0.669 0.962 0.654 CB 1.533 27 residues pruned to eliminate duplicates Z: 63 36.503 2.021 0.697 0.668 0.887 0.548 CB 1.305 56 residues pruned to eliminate duplicates Z: 18 26.464 1.961 0.550 0.812 0.941 0.765 CB 1.710 18 residues pruned to eliminate duplicates Z: 24 31.642 2.134 0.758 0.670 0.957 0.826 CB 1.571 24 residues pruned to eliminate duplicates Z: 54 41.246 2.072 0.665 0.719 0.962 0.547 CB 1.401 54 residues pruned to eliminate duplicates Z: 20 23.493 2.081 0.517 0.688 0.895 0.737 CB 1.607 20 residues pruned to eliminate duplicates Z: 19 24.057 2.086 0.566 0.714 0.889 0.722 CA 1.609 19 residues pruned to eliminate duplicates Z: 19 26.058 2.101 0.692 0.725 0.889 0.611 CB 1.586 19 residues pruned to eliminate duplicates Z: 18 28.679 2.157 0.771 0.764 0.824 0.529 CB 1.750 18 residues pruned to eliminate duplicates Z: 18 31.074 2.156 0.835 0.758 0.941 0.588 CB 1.609 18 residues pruned to eliminate duplicates Z: 23 28.466 2.138 0.809 0.658 0.909 0.727 CB 1.491 23 residues pruned to eliminate duplicates Z: 64 35.970 2.030 0.599 0.642 0.921 0.476 CB 1.328 64 residues pruned to eliminate duplicates Z: 10 8.337 1.971 0.574 0.291 1.000 0.556 CB 1.133 10 residues pruned to eliminate duplicates Z: 9 11.012 2.039 0.723 0.379 1.000 0.500 CB 1.260 9 residues pruned to eliminate duplicates Z: 11 9.690 1.859 0.944 0.397 0.800 0.600 CB 1.181 11 residues pruned to eliminate duplicates Z: 9 10.797 2.008 0.633 0.343 1.000 0.625 CB 1.380 9 residues pruned to eliminate duplicates Z: 7 5.767 1.874 0.497 0.291 1.000 0.667 CB 1.060 7 residues pruned to eliminate duplicates Z: 107 41.809 1.989 0.612 0.594 0.887 0.509 CB 1.306 107 residues pruned to eliminate duplicates Z: 23 21.170 2.034 0.399 0.653 0.955 0.727 CB 1.441 23 residues pruned to eliminate duplicates Z: 37 22.482 2.006 0.240 0.622 0.917 0.778 CB 1.465 37 residues pruned to eliminate duplicates Z: 45 29.416 1.966 0.538 0.615 0.932 0.727 CB 1.411 45 residues pruned to eliminate duplicates Z: 29 21.330 1.990 0.459 0.610 0.929 0.750 CB 1.348 29 residues pruned to eliminate duplicates Z: 37 27.062 2.004 0.434 0.652 0.917 0.694 CB 1.486 37 residues pruned to eliminate duplicates Z: 26 30.894 2.093 0.648 0.737 0.960 0.760 CB 1.508 26 residues pruned to eliminate duplicates Z: 28 23.070 1.963 0.534 0.640 0.963 0.630 CB 1.343 28 residues pruned to eliminate duplicates Z: 19 20.345 1.964 0.645 0.703 0.944 0.667 CB 1.306 19 residues pruned to eliminate duplicates Z: 26 27.632 2.073 0.678 0.727 0.920 0.760 CB 1.407 26 residues pruned to eliminate duplicates Z: 26 28.446 2.079 0.606 0.687 1.000 0.720 CB 1.436 26 residues pruned to eliminate duplicates Z: 15 25.308 2.085 0.793 0.862 0.929 0.571 CB 1.430 15 residues pruned to eliminate duplicates Z: 37 31.681 2.038 0.557 0.695 0.944 0.639 CB 1.474 37 residues pruned to eliminate duplicates Z: 46 29.647 1.949 0.606 0.648 0.911 0.644 CB 1.350 46 residues pruned to eliminate duplicates Z: 29 24.644 2.020 0.589 0.639 0.964 0.714 CB 1.321 29 residues pruned to eliminate duplicates Z: 26 26.644 2.075 0.551 0.723 0.960 0.800 CB 1.410 26 residues pruned to eliminate duplicates Z: 22 25.858 1.946 0.535 0.812 1.000 0.857 CB 1.440 22 residues pruned to eliminate duplicates Z: 29 28.064 2.014 0.602 0.674 0.964 0.750 CB 1.451 29 residues pruned to eliminate duplicates Z: 28 27.240 2.009 0.588 0.672 0.963 0.741 CB 1.456 27 residues pruned to eliminate duplicates Z: 6 12.124 1.830 0.936 0.604 1.000 0.400 CA 1.385 6 residues pruned to eliminate duplicates Z: 40 27.042 1.981 0.428 0.690 0.897 0.795 CB 1.433 40 residues pruned to eliminate duplicates Z: 6 4.658 1.442 0.881 0.442 1.000 0.800 CA 0.815 6 residues pruned to eliminate duplicates Z: 27 31.483 2.048 0.693 0.713 0.962 0.654 CB 1.527 29 residues pruned to eliminate duplicates Z: 12 14.547 1.765 0.541 0.704 1.000 0.545 CB 1.339 12 residues pruned to eliminate duplicates Z: 17 16.293 1.938 0.546 0.553 0.938 0.625 CB 1.378 17 residues pruned to eliminate duplicates Z: 38 28.492 2.002 0.538 0.642 0.919 0.730 CB 1.450 38 residues pruned to eliminate duplicates Z: 25 16.346 1.752 0.574 0.538 0.833 0.708 CB 1.399 25 residues pruned to eliminate duplicates Z: 26 22.715 1.893 0.755 0.658 0.880 0.600 CB 1.342 26 residues pruned to eliminate duplicates Z: 27 14.010 1.774 0.591 0.504 0.731 0.500 CB 1.327 27 residues pruned to eliminate duplicates Z: 29 21.312 1.794 0.825 0.626 0.929 0.607 CB 1.177 29 residues pruned to eliminate duplicates Z: 24 14.939 1.812 0.675 0.625 0.826 0.565 CB 1.104 24 residues pruned to eliminate duplicates Z: 20 14.856 1.635 0.700 0.535 0.842 0.368 CB 1.407 20 residues pruned to eliminate duplicates Z: 18 15.883 1.762 0.536 0.587 0.882 0.412 CA 1.484 18 residues pruned to eliminate duplicates Z: 23 19.859 1.850 0.728 0.561 0.864 0.409 CB 1.445 22 residues pruned to eliminate duplicates Z: 6 5.529 1.727 0.485 0.264 1.000 0.400 CA 1.263 6 residues pruned to eliminate duplicates Z: 35 24.728 1.850 0.894 0.610 0.882 0.588 CB 1.236 35 residues pruned to eliminate duplicates Z: 26 18.633 1.869 0.763 0.515 0.840 0.440 CB 1.326 26 residues pruned to eliminate duplicates Z: 13 3.483 1.594 0.304 0.126 0.667 0.167 CB 1.159 13 residues pruned to eliminate duplicates Z: 39 20.608 1.811 0.686 0.548 0.895 0.447 CB 1.167 37 residues pruned to eliminate duplicates 1082 residues left after pruning, divided into chains as follows: A: 12 B: 8 C: 8 D: 10 E: 7 F: 18 G: 18 H: 15 I: 20 J: 51 K: 15 L: 28 M: 39 N: 20 O: 12 P: 22 Q: 96 R: 144 S: 38 T: 73 U: 50 V: 62 W: 112 X: 51 Y: 107 Z: 46 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 32.16 % ------------------------------------------------------------------------------ Global autotracing cycle 5 = 0.300, Contrast = 0.492, Connect. = 0.733 for dens.mod. cycle 1 = 0.300, Contrast = 0.559, Connect. = 0.750 for dens.mod. cycle 2 = 0.300, Contrast = 0.659, Connect. = 0.780 for dens.mod. cycle 3 = 0.300, Contrast = 0.664, Connect. = 0.780 for dens.mod. cycle 4 = 0.300, Contrast = 0.670, Connect. = 0.781 for dens.mod. cycle 5 = 0.300, Contrast = 0.672, Connect. = 0.782 for dens.mod. cycle 6 = 0.300, Contrast = 0.676, Connect. = 0.783 for dens.mod. cycle 7 = 0.300, Contrast = 0.678, Connect. = 0.784 for dens.mod. cycle 8 = 0.300, Contrast = 0.679, Connect. = 0.785 for dens.mod. cycle 9 = 0.300, Contrast = 0.680, Connect. = 0.786 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 7546 peaks > 0.5 sigma used to seed fragment search Space for about 1933 unique residues taking solvent into account 1672 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 13 34.737 2.338 0.840 0.912 1.000 0.833 CB 1.651 B: 31 40.282 2.224 0.434 0.944 1.000 0.933 CA 1.597 C: 13 33.125 2.261 0.998 0.887 0.917 0.917 CA 1.666 14 residues pruned to eliminate duplicates D: 12 28.529 2.279 0.593 0.901 1.000 1.000 CA 1.690 12 residues pruned to eliminate duplicates E: 12 39.255 2.383 1.005 0.915 1.000 0.545 CB 1.751 F: 11 34.004 2.244 0.917 0.862 1.000 1.000 CB 1.835 G: 10 24.837 2.452 0.415 0.858 1.000 0.778 CB 1.758 10 residues pruned to eliminate duplicates H: 19 30.494 2.075 0.824 0.878 0.889 0.444 CB 1.551 I: 21 23.184 1.930 0.674 0.823 0.900 0.450 CB 1.349 20 residues pruned to eliminate duplicates J: 11 36.226 2.215 1.090 0.899 1.000 0.900 CA 1.769 11 residues pruned to eliminate duplicates K: 13 33.049 2.283 0.794 0.920 1.000 0.833 CA 1.640 13 residues pruned to eliminate duplicates L: 21 19.257 2.199 0.527 0.374 0.900 0.350 CB 1.630 M: 13 33.721 2.301 0.759 0.906 1.000 0.917 CA 1.711 13 residues pruned to eliminate duplicates N: 31 36.929 2.185 0.422 0.931 1.000 0.933 CA 1.516 31 residues pruned to eliminate duplicates O: 29 19.968 2.066 0.304 0.599 0.893 0.536 CB 1.427 P: 13 25.574 2.075 0.816 0.802 0.917 0.500 CB 1.642 Q: 13 29.796 2.061 0.914 0.926 1.000 0.833 CA 1.529 R: 12 25.358 2.192 0.982 0.891 0.909 0.727 CB 1.392 12 residues pruned to eliminate duplicates S: 13 25.271 2.189 0.439 0.914 1.000 0.833 CA 1.639 13 residues pruned to eliminate duplicates T: 13 32.353 2.134 0.798 0.890 1.000 0.583 CB 1.750 13 residues pruned to eliminate duplicates U: 11 38.330 2.450 0.834 0.914 1.000 1.000 CA 1.907 11 residues pruned to eliminate duplicates V: 15 22.876 2.072 0.744 0.757 0.857 0.643 CB 1.571 W: 13 28.143 2.240 0.810 0.884 0.917 0.833 CA 1.579 13 residues pruned to eliminate duplicates X: 19 37.682 2.138 1.034 0.899 0.944 0.556 CB 1.546 Y: 9 20.047 2.043 0.588 0.818 1.000 0.750 CA 1.658 Z: 12 30.372 2.288 0.533 0.915 1.000 0.727 CB 1.846 Z: 11 19.431 2.167 0.372 0.908 0.900 0.700 CA 1.632 11 residues pruned to eliminate duplicates Z: 30 48.779 2.276 0.672 0.939 1.000 0.931 CA 1.654 31 residues pruned to eliminate duplicates Z: 28 56.998 2.118 1.287 0.911 1.000 0.704 CB 1.605 Z: 12 34.510 2.231 0.908 0.918 1.000 0.727 CA 1.724 12 residues pruned to eliminate duplicates Z: 11 33.240 2.385 0.814 0.917 1.000 0.800 CB 1.715 11 residues pruned to eliminate duplicates Z: 12 36.056 2.268 1.014 0.924 1.000 0.727 CB 1.672 13 residues pruned to eliminate duplicates Z: 12 41.675 2.341 1.018 0.930 1.000 0.909 CA 1.859 13 residues pruned to eliminate duplicates Z: 24 44.148 2.175 0.997 0.902 0.957 0.826 CB 1.581 24 residues pruned to eliminate duplicates Z: 12 25.035 2.256 0.590 0.891 1.000 0.818 CA 1.513 12 residues pruned to eliminate duplicates Z: 31 33.182 1.933 0.413 0.886 1.000 0.667 CB 1.600 Z: 14 19.070 1.956 0.461 0.895 0.846 0.846 CA 1.568 14 residues pruned to eliminate duplicates Z: 12 19.678 2.098 0.451 0.783 1.000 0.727 CB 1.520 12 residues pruned to eliminate duplicates Z: 14 33.783 2.191 0.911 0.931 0.923 0.769 CB 1.695 14 residues pruned to eliminate duplicates Z: 13 25.903 2.085 0.474 0.899 1.000 0.833 N 1.739 11 residues pruned to eliminate duplicates Z: 30 42.371 2.090 0.816 0.891 0.966 0.862 CA 1.543 30 residues pruned to eliminate duplicates Z: 31 56.132 2.226 1.126 0.944 1.000 0.633 CB 1.500 30 residues pruned to eliminate duplicates Z: 30 45.838 2.267 0.594 0.939 1.000 0.931 CA 1.637 31 residues pruned to eliminate duplicates Z: 15 32.184 2.065 0.798 0.941 1.000 0.857 CB 1.607 Z: 17 30.665 2.122 1.013 0.885 0.938 0.750 CB 1.383 17 residues pruned to eliminate duplicates Z: 14 27.497 2.030 1.035 0.829 0.846 0.692 CA 1.642 13 residues pruned to eliminate duplicates Z: 11 19.585 2.083 1.061 0.842 0.800 0.600 CB 1.344 11 residues pruned to eliminate duplicates Z: 30 50.036 2.194 0.855 0.940 0.966 0.828 CA 1.642 30 residues pruned to eliminate duplicates Z: 81 57.114 2.229 0.749 0.570 0.938 0.637 CB 1.633 49 residues pruned to eliminate duplicates Z: 12 6.528 1.750 0.258 0.442 0.909 0.636 CB 1.044 Z: 13 30.027 2.239 0.941 0.873 0.917 0.583 CB 1.584 15 residues pruned to eliminate duplicates Z: 8 16.862 1.890 0.678 0.883 1.000 0.714 N 1.453 8 residues pruned to eliminate duplicates Z: 23 31.268 2.006 0.706 0.909 0.955 0.727 CB 1.448 Z: 18 19.454 1.764 0.754 0.850 0.824 0.529 CB 1.372 18 residues pruned to eliminate duplicates Z: 9 25.361 2.125 1.099 0.855 0.875 0.875 CB 1.696 Z: 31 50.063 2.181 0.962 0.933 1.000 0.600 CB 1.491 31 residues pruned to eliminate duplicates Z: 29 22.566 2.210 0.546 0.520 0.821 0.571 CB 1.490 10 residues pruned to eliminate duplicates Z: 18 33.556 2.159 0.835 0.895 0.941 0.529 CB 1.565 18 residues pruned to eliminate duplicates Z: 26 30.332 2.020 0.763 0.882 0.840 0.640 CB 1.467 23 residues pruned to eliminate duplicates Z: 57 32.605 2.117 0.628 0.448 0.875 0.571 CB 1.524 57 residues pruned to eliminate duplicates Z: 23 13.251 1.973 0.375 0.397 0.864 0.545 CB 1.344 Z: 31 51.735 2.181 0.953 0.932 1.000 0.533 CB 1.549 31 residues pruned to eliminate duplicates Z: 35 23.699 2.258 0.597 0.463 0.824 0.471 CB 1.422 30 residues pruned to eliminate duplicates Z: 32 41.949 2.084 0.746 0.890 0.968 0.710 CA 1.540 29 residues pruned to eliminate duplicates Z: 8 16.620 2.101 0.630 0.879 0.857 0.857 CA 1.552 Z: 80 37.643 2.165 0.457 0.542 0.848 0.608 CB 1.520 73 residues pruned to eliminate duplicates Z: 12 22.467 2.227 0.394 0.897 1.000 0.818 CA 1.563 12 residues pruned to eliminate duplicates Z: 31 36.710 2.162 0.448 0.935 1.000 0.833 CA 1.492 31 residues pruned to eliminate duplicates Z: 21 35.766 1.997 0.941 0.859 0.950 0.750 CB 1.598 20 residues pruned to eliminate duplicates Z: 23 50.920 2.216 1.095 0.907 1.000 0.773 CB 1.662 26 residues pruned to eliminate duplicates Z: 12 30.703 2.272 0.572 0.902 1.000 0.364 CB 1.848 12 residues pruned to eliminate duplicates Z: 12 23.944 2.225 0.343 0.912 0.909 0.636 CB 1.883 12 residues pruned to eliminate duplicates Z: 11 29.044 2.251 0.732 0.854 1.000 0.600 CB 1.740 10 residues pruned to eliminate duplicates Z: 13 21.037 2.129 0.514 0.885 0.833 0.500 N 1.633 13 residues pruned to eliminate duplicates Z: 30 44.201 2.243 0.563 0.941 1.000 0.862 CA 1.624 30 residues pruned to eliminate duplicates Z: 13 30.650 2.292 1.104 0.832 0.833 0.583 CA 1.653 13 residues pruned to eliminate duplicates Z: 18 22.470 1.961 0.366 0.857 1.000 0.706 CA 1.499 Z: 21 34.519 1.958 0.886 0.840 1.000 0.700 CA 1.560 21 residues pruned to eliminate duplicates Z: 15 23.659 2.123 0.277 0.915 1.000 1.000 CA 1.649 16 residues pruned to eliminate duplicates Z: 28 48.443 2.147 1.005 0.906 0.963 0.667 CB 1.600 28 residues pruned to eliminate duplicates Z: 8 31.604 2.376 0.939 0.921 1.000 0.857 CB 1.825 9 residues pruned to eliminate duplicates Z: 7 17.711 2.056 1.159 0.842 0.833 0.833 CB 1.456 Z: 13 28.143 2.105 0.720 0.889 1.000 0.833 CA 1.615 13 residues pruned to eliminate duplicates Z: 10 10.868 2.172 -0.162 0.767 1.000 0.333 CB 1.572 10 residues pruned to eliminate duplicates Z: 10 25.464 2.024 0.888 0.895 1.000 0.778 CA 1.592 10 residues pruned to eliminate duplicates Z: 10 14.538 1.808 0.305 0.854 1.000 0.778 CB 1.517 Z: 17 21.610 1.897 0.794 0.877 0.938 0.750 CB 1.229 Z: 11 16.020 1.881 0.665 0.774 1.000 0.700 CB 1.270 Z: 13 35.315 2.199 1.288 0.860 0.917 0.500 CB 1.625 13 residues pruned to eliminate duplicates Z: 27 42.738 2.134 0.928 0.904 0.923 0.692 CA 1.572 27 residues pruned to eliminate duplicates Z: 8 14.403 1.924 0.380 0.840 1.000 0.857 CA 1.530 8 residues pruned to eliminate duplicates Z: 29 52.167 2.111 1.206 0.911 0.929 0.464 CA 1.615 28 residues pruned to eliminate duplicates Z: 9 12.609 1.917 0.211 0.740 1.000 0.625 N 1.549 9 residues pruned to eliminate duplicates Z: 15 29.154 2.015 0.852 0.903 1.000 0.714 CB 1.489 13 residues pruned to eliminate duplicates Z: 15 26.845 2.104 0.557 0.904 0.929 0.857 CB 1.679 15 residues pruned to eliminate duplicates Z: 13 23.832 2.116 0.525 0.879 0.917 0.833 CB 1.687 13 residues pruned to eliminate duplicates Z: 9 26.582 2.272 0.818 0.864 1.000 1.000 CA 1.668 Z: 30 48.088 2.138 0.988 0.933 0.931 0.483 CB 1.575 30 residues pruned to eliminate duplicates Z: 13 40.049 2.186 1.314 0.933 1.000 0.500 CB 1.595 12 residues pruned to eliminate duplicates Z: 28 49.282 2.196 0.841 0.940 0.963 0.704 CB 1.691 28 residues pruned to eliminate duplicates Z: 8 18.985 2.035 0.604 0.868 1.000 0.714 N 1.608 8 residues pruned to eliminate duplicates Z: 8 22.533 2.218 0.642 0.812 1.000 0.714 CB 1.783 8 residues pruned to eliminate duplicates Z: 29 45.194 2.049 0.873 0.914 1.000 0.714 CB 1.573 20 residues pruned to eliminate duplicates Z: 9 19.503 2.049 0.633 0.829 1.000 0.875 CB 1.551 11 residues pruned to eliminate duplicates Z: 17 29.697 2.115 0.904 0.896 0.875 0.562 CB 1.509 17 residues pruned to eliminate duplicates Z: 8 16.699 1.982 0.657 0.910 1.000 1.000 CA 1.362 7 residues pruned to eliminate duplicates Z: 14 27.660 2.098 0.675 0.898 1.000 0.769 CA 1.562 13 residues pruned to eliminate duplicates Z: 11 15.902 2.156 0.407 0.806 0.900 0.800 CB 1.410 11 residues pruned to eliminate duplicates Z: 12 9.384 1.740 0.188 0.803 1.000 0.636 CB 1.051 Z: 81 52.019 2.213 0.778 0.559 0.875 0.700 CB 1.595 81 residues pruned to eliminate duplicates Z: 22 28.254 2.045 0.660 0.895 0.952 0.714 CB 1.367 22 residues pruned to eliminate duplicates Z: 12 35.980 2.319 0.874 0.910 1.000 0.727 CA 1.770 12 residues pruned to eliminate duplicates Z: 22 29.392 2.101 0.531 0.911 0.905 0.762 CB 1.561 24 residues pruned to eliminate duplicates Z: 10 17.673 1.854 0.432 0.884 1.000 0.667 CB 1.604 10 residues pruned to eliminate duplicates Z: 30 39.161 1.971 0.544 0.941 1.000 0.897 CA 1.658 30 residues pruned to eliminate duplicates Z: 14 21.653 1.910 0.613 0.869 0.923 0.692 CB 1.543 13 residues pruned to eliminate duplicates Z: 15 32.446 2.208 0.730 0.851 0.929 0.714 CA 1.809 16 residues pruned to eliminate duplicates Z: 29 14.192 1.898 0.239 0.416 0.893 0.500 CB 1.394 10 residues pruned to eliminate duplicates Z: 13 16.074 2.174 0.822 0.589 0.750 0.667 CB 1.434 11 residues pruned to eliminate duplicates Z: 30 38.651 1.987 0.795 0.894 0.966 0.897 CA 1.495 30 residues pruned to eliminate duplicates Z: 7 8.748 1.848 0.632 0.703 0.833 0.833 CA 1.181 7 residues pruned to eliminate duplicates Z: 8 14.884 2.048 0.559 0.843 1.000 0.714 CA 1.312 8 residues pruned to eliminate duplicates Z: 14 18.338 1.899 0.714 0.934 1.000 0.846 CB 1.090 Z: 10 12.060 1.829 0.414 0.800 0.889 0.667 CA 1.344 Z: 15 28.726 2.144 0.675 0.911 0.929 0.786 CB 1.632 15 residues pruned to eliminate duplicates Z: 31 40.983 2.213 0.586 0.933 0.967 0.867 CA 1.539 31 residues pruned to eliminate duplicates Z: 9 18.197 2.003 0.605 0.830 1.000 0.875 CB 1.505 9 residues pruned to eliminate duplicates Z: 16 26.347 2.105 0.540 0.842 0.933 0.933 CA 1.674 16 residues pruned to eliminate duplicates Z: 7 12.299 2.046 0.357 0.717 1.000 0.500 CB 1.486 7 residues pruned to eliminate duplicates Z: 24 32.619 2.040 0.545 0.892 1.000 0.739 CB 1.551 25 residues pruned to eliminate duplicates Z: 25 8.189 1.857 0.332 0.331 0.750 0.542 CB 1.085 25 residues pruned to eliminate duplicates Z: 8 13.892 1.938 0.974 0.824 1.000 0.714 CA 1.036 8 residues pruned to eliminate duplicates Z: 21 33.702 2.007 0.978 0.918 0.950 0.500 CB 1.409 21 residues pruned to eliminate duplicates Z: 17 15.109 1.618 0.302 0.891 0.938 0.938 CA 1.375 Z: 27 25.946 2.114 0.890 0.555 0.808 0.538 CB 1.495 9 residues pruned to eliminate duplicates Z: 20 34.935 2.207 1.129 0.581 0.895 0.632 CB 1.763 20 residues pruned to eliminate duplicates Z: 29 46.391 2.116 0.943 0.906 1.000 0.893 CB 1.517 29 residues pruned to eliminate duplicates Z: 10 12.405 1.924 0.428 0.791 0.778 0.778 CB 1.499 10 residues pruned to eliminate duplicates Z: 11 9.832 1.657 0.505 0.734 0.900 0.500 CB 1.122 11 residues pruned to eliminate duplicates Z: 17 25.234 1.923 0.694 0.896 0.938 0.750 CA 1.480 15 residues pruned to eliminate duplicates Z: 16 19.508 1.988 0.434 0.836 0.867 0.800 CA 1.526 14 residues pruned to eliminate duplicates Z: 15 35.376 2.144 0.997 0.913 0.929 0.571 CB 1.683 15 residues pruned to eliminate duplicates Z: 20 27.799 1.967 0.713 0.794 0.947 0.684 CB 1.544 20 residues pruned to eliminate duplicates Z: 10 25.354 2.046 1.113 0.858 0.889 0.778 CA 1.620 10 residues pruned to eliminate duplicates Z: 10 15.145 1.820 0.549 0.801 0.889 0.556 CB 1.548 10 residues pruned to eliminate duplicates Z: 30 41.229 2.236 0.463 0.938 1.000 0.897 CA 1.628 30 residues pruned to eliminate duplicates Z: 31 35.747 1.938 0.551 0.896 1.000 0.833 CB 1.555 31 residues pruned to eliminate duplicates Z: 13 20.784 2.015 0.516 0.866 0.917 0.833 CA 1.569 13 residues pruned to eliminate duplicates Z: 22 51.835 2.235 1.306 0.912 0.952 0.762 CA 1.632 22 residues pruned to eliminate duplicates Z: 30 22.029 2.101 0.627 0.475 0.828 0.448 CB 1.484 8 residues pruned to eliminate duplicates Z: 12 19.434 2.126 0.344 0.833 0.909 0.545 CB 1.692 12 residues pruned to eliminate duplicates Z: 15 15.937 1.779 0.678 0.862 0.929 0.857 CB 1.128 14 residues pruned to eliminate duplicates Z: 30 53.668 2.264 0.930 0.922 1.000 0.655 CB 1.605 30 residues pruned to eliminate duplicates Z: 15 27.956 2.179 0.550 0.888 0.929 0.929 CA 1.717 16 residues pruned to eliminate duplicates Z: 24 37.176 2.051 0.771 0.882 0.957 0.739 CB 1.614 24 residues pruned to eliminate duplicates Z: 11 9.508 1.864 0.452 0.818 0.800 0.600 CB 1.054 Z: 10 23.980 2.071 0.819 0.894 1.000 0.889 CA 1.522 12 residues pruned to eliminate duplicates Z: 29 29.989 1.954 0.646 0.912 0.893 0.536 CB 1.398 29 residues pruned to eliminate duplicates Z: 13 25.145 1.934 0.633 0.874 1.000 0.667 CA 1.673 13 residues pruned to eliminate duplicates Z: 22 50.898 2.243 1.296 0.922 1.000 0.667 CB 1.517 22 residues pruned to eliminate duplicates Z: 9 29.846 2.084 1.230 0.912 1.000 0.875 CA 1.607 10 residues pruned to eliminate duplicates Z: 15 28.702 2.163 0.525 0.924 0.929 0.786 CB 1.759 15 residues pruned to eliminate duplicates Z: 17 29.129 1.963 0.824 0.871 1.000 0.812 CA 1.484 17 residues pruned to eliminate duplicates Z: 6 9.246 1.690 0.789 0.811 1.000 0.600 CA 1.043 Z: 15 25.961 2.137 0.403 0.875 1.000 0.929 CA 1.683 15 residues pruned to eliminate duplicates Z: 18 27.488 1.951 0.627 0.870 1.000 0.882 CA 1.533 18 residues pruned to eliminate duplicates Z: 12 27.518 2.262 0.521 0.930 1.000 1.000 CA 1.685 12 residues pruned to eliminate duplicates Z: 29 45.273 2.167 0.918 0.908 0.964 0.679 CA 1.517 29 residues pruned to eliminate duplicates Z: 17 23.310 1.924 0.598 0.901 0.875 0.688 CA 1.546 17 residues pruned to eliminate duplicates Z: 15 27.475 2.166 0.536 0.909 0.929 0.786 CB 1.688 15 residues pruned to eliminate duplicates Z: 26 32.921 2.072 0.705 0.825 1.000 0.680 CB 1.407 26 residues pruned to eliminate duplicates Z: 10 9.184 1.867 -0.096 0.887 1.000 0.778 CA 1.308 10 residues pruned to eliminate duplicates Z: 15 35.980 2.196 0.772 0.933 1.000 0.643 CB 1.724 15 residues pruned to eliminate duplicates Z: 9 7.138 1.592 0.604 0.706 0.875 0.625 CB 0.937 Z: 31 50.487 2.137 0.941 0.926 0.967 0.733 CA 1.612 31 residues pruned to eliminate duplicates Z: 12 30.947 2.247 0.594 0.918 1.000 0.818 CB 1.837 12 residues pruned to eliminate duplicates Z: 30 36.955 1.975 0.493 0.931 1.000 0.931 CB 1.625 30 residues pruned to eliminate duplicates Z: 13 35.645 2.243 1.101 0.903 0.917 0.833 CA 1.697 14 residues pruned to eliminate duplicates Z: 39 42.950 2.030 0.781 0.792 0.921 0.789 CB 1.620 39 residues pruned to eliminate duplicates Z: 9 17.005 2.041 0.415 0.889 1.000 0.875 CB 1.499 Z: 16 19.053 1.965 0.300 0.847 0.933 0.867 CB 1.531 16 residues pruned to eliminate duplicates Z: 15 6.916 1.799 0.383 0.568 0.714 0.500 CB 0.974 15 residues pruned to eliminate duplicates Z: 29 48.819 2.269 0.990 0.952 0.964 0.536 CB 1.460 29 residues pruned to eliminate duplicates Z: 28 27.837 1.986 0.684 0.699 0.926 0.741 CB 1.442 17 residues pruned to eliminate duplicates Z: 8 12.541 2.027 0.179 0.800 1.000 1.000 CB 1.527 10 residues pruned to eliminate duplicates Z: 14 22.342 1.917 0.617 0.903 1.000 0.846 CB 1.425 15 residues pruned to eliminate duplicates Z: 23 30.337 2.031 0.367 0.902 1.000 0.909 CB 1.661 23 residues pruned to eliminate duplicates Z: 17 26.390 2.108 0.510 0.830 0.938 0.750 CA 1.661 17 residues pruned to eliminate duplicates Z: 30 28.542 2.055 0.759 0.598 0.931 0.621 CB 1.434 14 residues pruned to eliminate duplicates Z: 11 12.359 2.079 0.228 0.814 0.900 0.800 CB 1.295 Z: 31 27.903 2.067 0.775 0.549 0.900 0.533 CB 1.471 31 residues pruned to eliminate duplicates Z: 9 16.700 1.908 0.567 0.828 1.000 0.500 CA 1.487 11 residues pruned to eliminate duplicates Z: 20 28.520 2.027 0.602 0.818 0.947 0.579 CB 1.613 20 residues pruned to eliminate duplicates Z: 6 10.530 2.133 0.297 0.835 0.800 0.400 CB 1.593 6 residues pruned to eliminate duplicates Z: 10 26.628 2.296 0.664 0.823 1.000 1.000 CA 1.755 10 residues pruned to eliminate duplicates Z: 9 10.857 2.052 0.066 0.773 0.875 0.500 CB 1.574 9 residues pruned to eliminate duplicates Z: 13 32.844 2.206 1.061 0.877 0.917 0.833 CA 1.652 13 residues pruned to eliminate duplicates Z: 13 20.007 2.029 0.350 0.899 1.000 1.000 CA 1.507 13 residues pruned to eliminate duplicates Z: 12 26.662 2.133 0.491 0.928 1.000 0.727 CA 1.771 12 residues pruned to eliminate duplicates Z: 23 27.876 2.025 0.326 0.898 1.000 0.909 CA 1.584 23 residues pruned to eliminate duplicates Z: 8 22.226 2.064 0.894 0.895 1.000 1.000 CA 1.540 8 residues pruned to eliminate duplicates Z: 18 6.767 1.875 0.212 0.438 0.824 0.471 CB 0.935 7 residues pruned to eliminate duplicates Z: 11 17.631 2.129 0.225 0.910 1.000 1.000 CA 1.516 11 residues pruned to eliminate duplicates Z: 13 37.779 2.339 1.214 0.851 0.917 0.750 CB 1.700 13 residues pruned to eliminate duplicates Z: 25 42.850 2.207 0.861 0.910 0.958 0.833 CA 1.576 25 residues pruned to eliminate duplicates Z: 16 31.999 2.098 1.002 0.846 0.867 0.667 CA 1.686 17 residues pruned to eliminate duplicates Z: 16 32.721 2.060 0.685 0.926 1.000 0.733 CB 1.707 16 residues pruned to eliminate duplicates Z: 9 22.780 2.210 0.633 0.909 1.000 0.875 CA 1.583 9 residues pruned to eliminate duplicates Z: 14 10.253 1.870 0.462 0.418 0.923 0.462 CB 1.227 Z: 9 17.080 2.026 0.337 0.866 1.000 0.500 CA 1.631 9 residues pruned to eliminate duplicates Z: 14 24.071 1.954 0.825 0.807 0.923 0.615 CB 1.552 14 residues pruned to eliminate duplicates Z: 18 40.340 2.283 0.861 0.918 1.000 0.824 CA 1.624 18 residues pruned to eliminate duplicates Z: 17 20.808 1.949 0.438 0.865 1.000 0.750 CB 1.359 17 residues pruned to eliminate duplicates Z: 8 15.240 2.252 0.541 0.736 0.857 0.714 CA 1.567 8 residues pruned to eliminate duplicates Z: 16 20.751 1.844 0.322 0.899 1.000 0.867 CA 1.570 Z: 33 24.668 2.157 0.586 0.568 0.875 0.688 CB 1.364 18 residues pruned to eliminate duplicates Z: 23 25.401 2.030 0.219 0.929 1.000 1.000 CA 1.532 23 residues pruned to eliminate duplicates Z: 16 29.458 2.068 0.857 0.920 0.867 0.600 CB 1.610 16 residues pruned to eliminate duplicates Z: 6 8.869 1.840 0.541 0.787 0.800 0.400 N 1.359 6 residues pruned to eliminate duplicates Z: 41 21.088 2.071 0.578 0.456 0.825 0.600 CB 1.294 25 residues pruned to eliminate duplicates Z: 46 25.249 2.044 0.476 0.481 0.867 0.622 CB 1.469 48 residues pruned to eliminate duplicates Z: 30 40.132 1.996 0.788 0.934 1.000 0.966 CA 1.456 30 residues pruned to eliminate duplicates Z: 17 19.252 1.768 0.373 0.885 1.000 0.938 CB 1.432 17 residues pruned to eliminate duplicates Z: 15 11.215 1.990 0.230 0.631 0.857 0.500 CB 1.264 15 residues pruned to eliminate duplicates Z: 12 11.794 1.899 0.720 0.357 0.818 0.545 CB 1.553 12 residues pruned to eliminate duplicates Z: 13 21.326 1.907 0.685 0.904 1.000 0.833 CB 1.365 13 residues pruned to eliminate duplicates Z: 30 41.251 1.976 0.717 0.920 1.000 0.552 CB 1.591 30 residues pruned to eliminate duplicates Z: 15 20.043 1.889 0.494 0.866 1.000 0.714 CA 1.389 15 residues pruned to eliminate duplicates Z: 14 30.993 2.217 0.646 0.911 0.923 0.692 CA 1.808 14 residues pruned to eliminate duplicates Z: 15 30.135 2.138 0.615 0.909 1.000 0.714 CB 1.655 15 residues pruned to eliminate duplicates Z: 14 18.784 1.908 0.252 0.917 1.000 1.000 CA 1.539 Z: 15 28.493 2.146 0.558 0.911 0.929 0.857 CB 1.739 15 residues pruned to eliminate duplicates Z: 12 26.017 1.969 0.779 0.919 1.000 0.909 CA 1.578 14 residues pruned to eliminate duplicates Z: 15 23.163 2.120 0.328 0.918 0.929 0.929 CB 1.670 15 residues pruned to eliminate duplicates Z: 12 9.547 1.934 0.403 0.449 0.909 0.545 CB 1.231 Z: 6 11.925 1.876 0.497 0.836 1.000 0.600 CA 1.420 6 residues pruned to eliminate duplicates Z: 15 18.701 2.050 0.285 0.880 0.929 0.929 CB 1.481 15 residues pruned to eliminate duplicates Z: 16 26.047 2.118 0.534 0.826 0.933 0.800 CA 1.671 16 residues pruned to eliminate duplicates Z: 16 20.806 1.915 0.393 0.867 0.933 0.867 CB 1.578 Z: 13 23.792 2.008 0.538 0.845 1.000 0.583 CA 1.653 13 residues pruned to eliminate duplicates Z: 10 22.051 2.009 0.959 0.841 0.889 0.778 CB 1.567 10 residues pruned to eliminate duplicates Z: 24 32.773 1.985 0.634 0.884 1.000 0.783 CB 1.522 Z: 17 20.214 1.957 0.326 0.819 0.938 0.688 CA 1.575 17 residues pruned to eliminate duplicates Z: 30 30.455 1.887 0.417 0.912 1.000 0.793 O 1.498 30 residues pruned to eliminate duplicates Z: 12 12.837 1.905 0.387 0.898 1.000 0.909 CB 1.047 11 residues pruned to eliminate duplicates Z: 18 14.226 2.280 0.224 0.379 0.882 0.529 CB 1.593 18 residues pruned to eliminate duplicates Z: 30 38.373 2.225 0.410 0.949 1.000 0.931 CA 1.568 30 residues pruned to eliminate duplicates Z: 6 17.539 2.172 0.931 0.727 1.000 0.800 CB 1.523 6 residues pruned to eliminate duplicates Z: 12 17.745 2.047 0.469 0.774 0.818 0.636 CA 1.707 12 residues pruned to eliminate duplicates Z: 32 26.178 1.998 0.735 0.592 0.935 0.484 CB 1.327 32 residues pruned to eliminate duplicates Z: 9 8.239 1.929 0.212 0.609 1.000 0.875 CB 1.123 9 residues pruned to eliminate duplicates Z: 20 30.936 2.028 0.649 0.849 1.000 0.684 CB 1.574 34 residues pruned to eliminate duplicates Z: 8 8.303 2.002 0.847 0.507 1.000 0.429 CB 0.842 Z: 15 23.481 1.965 0.860 0.841 0.929 0.643 CB 1.379 15 residues pruned to eliminate duplicates Z: 24 25.619 2.019 0.287 0.881 0.957 0.870 CB 1.556 24 residues pruned to eliminate duplicates Z: 13 17.372 2.021 0.299 0.897 0.917 0.833 CB 1.491 13 residues pruned to eliminate duplicates Z: 24 26.982 1.946 0.663 0.896 0.870 0.783 CB 1.433 24 residues pruned to eliminate duplicates Z: 16 29.941 2.037 0.768 0.921 0.933 0.600 CA 1.619 15 residues pruned to eliminate duplicates Z: 7 11.234 2.052 0.358 0.767 1.000 0.833 CB 1.299 7 residues pruned to eliminate duplicates Z: 15 15.252 1.926 0.239 0.834 0.929 0.786 CB 1.380 15 residues pruned to eliminate duplicates Z: 6 10.937 1.911 0.626 0.803 1.000 1.000 CB 1.208 7 residues pruned to eliminate duplicates Z: 8 12.449 1.738 1.123 0.702 1.000 0.571 CA 1.061 8 residues pruned to eliminate duplicates Z: 16 9.663 1.599 0.458 0.722 0.800 0.533 CB 1.095 14 residues pruned to eliminate duplicates Z: 12 21.753 1.933 0.973 0.922 1.000 0.636 CB 1.209 12 residues pruned to eliminate duplicates Z: 15 20.484 2.007 0.511 0.800 0.929 0.714 CB 1.495 Z: 31 35.638 1.946 0.489 0.902 1.000 0.800 CB 1.601 31 residues pruned to eliminate duplicates Z: 46 32.338 2.235 0.651 0.551 0.867 0.600 CB 1.434 45 residues pruned to eliminate duplicates Z: 7 9.791 1.878 0.263 0.858 1.000 0.833 CB 1.241 8 residues pruned to eliminate duplicates Z: 12 30.541 2.281 0.650 0.908 1.000 0.727 CB 1.738 12 residues pruned to eliminate duplicates Z: 30 33.107 2.192 0.805 0.620 0.897 0.552 CB 1.548 29 residues pruned to eliminate duplicates Z: 26 30.490 2.038 0.654 0.856 0.920 0.720 CB 1.450 26 residues pruned to eliminate duplicates Z: 15 26.654 2.022 0.791 0.898 1.000 0.786 CA 1.408 16 residues pruned to eliminate duplicates Z: 24 12.001 2.017 0.559 0.408 0.783 0.435 CB 1.120 24 residues pruned to eliminate duplicates Z: 15 27.103 2.142 0.498 0.859 1.000 0.786 CA 1.661 15 residues pruned to eliminate duplicates Z: 8 16.177 2.076 0.664 0.549 1.000 0.857 CA 1.686 8 residues pruned to eliminate duplicates Z: 42 25.709 2.131 0.536 0.464 0.878 0.512 CB 1.449 33 residues pruned to eliminate duplicates Z: 7 9.821 1.651 0.566 0.809 1.000 0.500 N 1.186 7 residues pruned to eliminate duplicates Z: 7 11.014 1.972 0.404 0.804 1.000 0.833 CA 1.245 7 residues pruned to eliminate duplicates Z: 8 19.313 2.171 0.402 0.907 1.000 0.857 CB 1.703 8 residues pruned to eliminate duplicates Z: 12 28.146 2.280 0.644 0.887 1.000 0.636 CA 1.632 12 residues pruned to eliminate duplicates Z: 15 27.285 2.171 0.472 0.907 0.929 0.857 CA 1.747 15 residues pruned to eliminate duplicates Z: 31 37.295 1.937 0.580 0.914 1.000 0.700 CB 1.573 31 residues pruned to eliminate duplicates Z: 38 22.567 2.084 0.585 0.445 0.892 0.486 CB 1.332 39 residues pruned to eliminate duplicates Z: 12 13.309 1.960 0.610 0.674 0.909 0.273 CB 1.192 12 residues pruned to eliminate duplicates Z: 30 54.584 2.242 0.947 0.945 1.000 0.483 CB 1.606 30 residues pruned to eliminate duplicates Z: 24 32.379 2.048 0.448 0.903 0.957 0.783 CB 1.696 24 residues pruned to eliminate duplicates Z: 31 50.583 2.159 0.952 0.920 0.967 0.800 CA 1.596 31 residues pruned to eliminate duplicates Z: 24 28.916 2.064 0.729 0.868 0.913 0.652 CB 1.352 24 residues pruned to eliminate duplicates Z: 46 29.245 2.220 0.520 0.531 0.844 0.600 CB 1.485 46 residues pruned to eliminate duplicates Z: 31 21.680 1.890 0.760 0.586 0.900 0.467 CB 1.217 16 residues pruned to eliminate duplicates Z: 24 29.597 1.958 0.591 0.862 0.957 0.870 CB 1.520 24 residues pruned to eliminate duplicates Z: 15 25.307 1.844 0.719 0.855 1.000 0.786 CB 1.574 15 residues pruned to eliminate duplicates Z: 15 23.060 2.132 0.376 0.874 0.929 0.857 CA 1.647 15 residues pruned to eliminate duplicates Z: 7 8.772 1.849 0.294 0.680 1.000 0.500 CB 1.269 7 residues pruned to eliminate duplicates Z: 9 18.142 2.025 0.614 0.871 0.875 0.750 CB 1.636 9 residues pruned to eliminate duplicates Z: 24 33.879 1.982 0.716 0.883 1.000 0.696 CB 1.503 24 residues pruned to eliminate duplicates Z: 11 10.845 1.845 0.352 0.842 0.900 0.800 CB 1.138 12 residues pruned to eliminate duplicates Z: 9 13.510 1.997 0.418 0.763 1.000 0.875 CB 1.335 9 residues pruned to eliminate duplicates Z: 25 28.810 1.865 0.578 0.892 0.958 0.792 CB 1.498 25 residues pruned to eliminate duplicates Z: 17 18.932 1.911 0.453 0.840 0.875 0.750 CB 1.454 17 residues pruned to eliminate duplicates Z: 16 16.350 1.696 0.859 0.820 0.933 0.667 CB 1.087 16 residues pruned to eliminate duplicates Z: 18 12.904 1.736 0.274 0.755 0.882 0.765 CA 1.278 18 residues pruned to eliminate duplicates Z: 13 40.361 2.191 1.206 0.907 1.000 0.333 CA 1.713 13 residues pruned to eliminate duplicates Z: 15 32.542 2.158 0.806 0.926 0.929 0.857 CB 1.686 16 residues pruned to eliminate duplicates Z: 9 23.855 1.954 1.072 0.892 1.000 0.875 CA 1.496 9 residues pruned to eliminate duplicates Z: 14 18.102 2.023 0.311 0.922 0.923 0.846 CB 1.443 14 residues pruned to eliminate duplicates Z: 37 33.973 1.994 0.731 0.741 0.944 0.556 CB 1.399 24 residues pruned to eliminate duplicates Z: 11 16.659 2.143 0.313 0.881 0.900 0.700 CB 1.506 11 residues pruned to eliminate duplicates Z: 15 21.544 2.041 0.458 0.892 0.929 0.714 CB 1.497 15 residues pruned to eliminate duplicates Z: 29 46.059 2.060 0.862 0.909 1.000 0.750 CB 1.611 29 residues pruned to eliminate duplicates Z: 8 13.366 1.981 0.265 0.727 1.000 0.571 CA 1.644 9 residues pruned to eliminate duplicates Z: 17 21.049 2.289 0.574 0.389 0.938 0.625 CB 1.751 18 residues pruned to eliminate duplicates Z: 15 14.825 1.928 0.156 0.885 0.929 0.643 CB 1.383 15 residues pruned to eliminate duplicates Z: 16 22.028 2.006 0.374 0.855 1.000 0.867 CA 1.523 16 residues pruned to eliminate duplicates Z: 10 17.485 1.993 0.475 0.918 1.000 0.667 CB 1.398 9 residues pruned to eliminate duplicates Z: 30 44.995 2.257 0.578 0.931 1.000 0.793 CA 1.639 30 residues pruned to eliminate duplicates Z: 15 33.872 2.140 0.941 0.895 0.929 0.571 CA 1.682 15 residues pruned to eliminate duplicates Z: 46 27.930 2.050 0.621 0.496 0.889 0.556 CB 1.415 46 residues pruned to eliminate duplicates Z: 7 11.080 1.875 0.399 0.864 1.000 0.833 CB 1.265 7 residues pruned to eliminate duplicates Z: 25 28.070 1.900 0.496 0.881 0.958 0.792 CB 1.524 25 residues pruned to eliminate duplicates Z: 8 9.842 1.912 0.404 0.578 0.857 0.286 CB 1.499 8 residues pruned to eliminate duplicates Z: 11 9.309 1.664 0.273 0.821 0.900 0.700 CB 1.169 Z: 17 18.851 1.969 0.270 0.886 0.938 0.750 CB 1.451 17 residues pruned to eliminate duplicates Z: 61 31.668 2.192 0.515 0.468 0.850 0.467 CB 1.496 61 residues pruned to eliminate duplicates Z: 16 25.869 2.012 0.652 0.867 1.000 0.867 CA 1.470 16 residues pruned to eliminate duplicates Z: 16 32.282 2.060 0.753 0.939 1.000 0.867 CA 1.603 16 residues pruned to eliminate duplicates Z: 8 16.683 2.130 0.340 0.825 1.000 0.714 CB 1.668 8 residues pruned to eliminate duplicates Z: 16 16.674 2.064 0.690 0.546 0.933 0.600 CB 1.264 11 residues pruned to eliminate duplicates Z: 19 29.550 2.168 1.015 0.604 0.944 0.778 CB 1.530 19 residues pruned to eliminate duplicates Z: 29 45.828 2.118 0.794 0.925 1.000 0.786 CA 1.599 29 residues pruned to eliminate duplicates Z: 30 43.132 1.999 0.816 0.924 0.966 0.655 CB 1.605 30 residues pruned to eliminate duplicates Z: 24 29.809 1.961 0.683 0.866 0.913 0.696 CB 1.510 24 residues pruned to eliminate duplicates Z: 10 10.436 1.954 0.242 0.746 0.889 0.444 CB 1.295 10 residues pruned to eliminate duplicates Z: 14 10.036 1.969 0.396 0.308 0.923 0.538 CB 1.359 Z: 26 25.377 1.947 0.428 0.882 0.920 0.760 CB 1.436 26 residues pruned to eliminate duplicates Z: 10 10.344 1.672 0.563 0.711 1.000 0.444 CB 1.089 9 residues pruned to eliminate duplicates Z: 58 37.959 2.158 0.699 0.494 0.930 0.614 CB 1.483 58 residues pruned to eliminate duplicates Z: 31 50.625 2.200 0.839 0.924 1.000 0.867 CB 1.604 31 residues pruned to eliminate duplicates Z: 12 5.231 1.751 0.461 0.317 0.636 0.364 CB 1.186 12 residues pruned to eliminate duplicates Z: 30 59.225 2.273 1.102 0.928 1.000 0.759 CB 1.612 30 residues pruned to eliminate duplicates Z: 6 2.918 1.491 0.480 0.297 0.600 0.600 N 1.237 Z: 14 23.155 2.099 0.559 0.886 0.923 0.615 CA 1.535 14 residues pruned to eliminate duplicates Z: 24 28.276 1.947 0.476 0.906 0.957 0.826 CB 1.526 24 residues pruned to eliminate duplicates Z: 14 22.140 1.971 0.462 0.886 1.000 0.923 CA 1.538 14 residues pruned to eliminate duplicates Z: 11 10.978 1.833 0.150 0.877 0.900 0.700 CB 1.328 10 residues pruned to eliminate duplicates Z: 12 13.512 1.925 0.290 0.829 0.909 0.727 CA 1.359 12 residues pruned to eliminate duplicates Z: 12 13.907 1.670 0.868 0.862 0.818 0.545 CB 1.206 Z: 13 40.474 2.273 1.187 0.903 1.000 0.667 CA 1.675 13 residues pruned to eliminate duplicates Z: 39 23.377 2.091 0.349 0.558 0.895 0.500 CB 1.421 39 residues pruned to eliminate duplicates Z: 7 5.171 1.666 0.699 0.543 0.833 0.333 CA 0.858 7 residues pruned to eliminate duplicates Z: 19 14.040 2.026 0.532 0.404 0.833 0.722 CB 1.415 19 residues pruned to eliminate duplicates Z: 17 18.141 1.856 0.239 0.883 1.000 0.750 CA 1.425 17 residues pruned to eliminate duplicates Z: 12 23.868 2.023 1.188 0.909 1.000 0.818 CB 1.153 12 residues pruned to eliminate duplicates Z: 7 3.940 1.817 0.074 0.384 0.667 0.333 CB 1.399 7 residues pruned to eliminate duplicates Z: 9 14.168 2.027 0.391 0.800 1.000 0.875 CB 1.366 9 residues pruned to eliminate duplicates Z: 16 31.097 2.048 0.668 0.921 1.000 0.733 CB 1.654 16 residues pruned to eliminate duplicates Z: 8 7.994 1.757 0.120 0.664 1.000 0.429 CA 1.319 8 residues pruned to eliminate duplicates Z: 42 34.653 2.205 0.763 0.680 0.878 0.756 CA 1.344 49 residues pruned to eliminate duplicates Z: 29 41.023 2.057 0.683 0.912 1.000 0.821 CA 1.586 29 residues pruned to eliminate duplicates Z: 12 12.490 1.840 0.336 0.894 0.818 0.455 CB 1.344 11 residues pruned to eliminate duplicates Z: 31 46.464 2.176 0.865 0.921 1.000 0.567 CB 1.471 31 residues pruned to eliminate duplicates Z: 14 22.526 1.895 0.722 0.910 1.000 0.923 CB 1.358 14 residues pruned to eliminate duplicates Z: 7 15.321 1.967 0.878 0.783 1.000 0.833 CB 1.320 Z: 9 3.214 2.143 -0.075 0.280 0.625 0.125 CB 1.176 11 residues pruned to eliminate duplicates Z: 12 30.527 2.132 0.961 0.895 1.000 0.727 CB 1.578 12 residues pruned to eliminate duplicates Z: 11 15.718 2.147 0.457 0.744 0.800 0.700 CB 1.597 11 residues pruned to eliminate duplicates Z: 36 33.918 2.011 0.853 0.743 0.914 0.629 CB 1.354 36 residues pruned to eliminate duplicates Z: 15 27.111 1.966 0.815 0.783 0.929 0.786 CA 1.703 15 residues pruned to eliminate duplicates Z: 17 22.030 1.862 0.405 0.909 0.938 0.812 CB 1.594 17 residues pruned to eliminate duplicates Z: 10 15.129 1.930 0.769 0.807 0.889 0.778 CA 1.271 10 residues pruned to eliminate duplicates Z: 16 19.048 1.904 0.311 0.869 0.933 0.733 CB 1.542 16 residues pruned to eliminate duplicates Z: 23 30.033 2.062 0.759 0.881 0.955 0.682 CB 1.339 23 residues pruned to eliminate duplicates Z: 15 26.842 2.160 0.758 0.765 1.000 0.571 CB 1.494 15 residues pruned to eliminate duplicates Z: 7 7.417 1.813 0.141 0.725 1.000 0.667 CB 1.195 7 residues pruned to eliminate duplicates Z: 62 38.490 2.200 0.647 0.475 0.951 0.590 CB 1.468 62 residues pruned to eliminate duplicates Z: 11 11.005 1.868 0.160 0.865 0.900 0.800 CB 1.307 11 residues pruned to eliminate duplicates Z: 11 28.495 2.091 0.960 0.893 1.000 0.700 CB 1.578 11 residues pruned to eliminate duplicates Z: 25 28.349 2.008 0.936 0.852 0.875 0.542 CB 1.258 25 residues pruned to eliminate duplicates Z: 12 30.163 2.290 0.654 0.929 1.000 1.000 CA 1.681 12 residues pruned to eliminate duplicates Z: 13 12.826 1.637 0.573 0.901 0.917 0.750 CB 1.120 12 residues pruned to eliminate duplicates Z: 31 30.733 1.896 0.396 0.907 1.000 0.867 CA 1.507 31 residues pruned to eliminate duplicates Z: 14 22.975 2.058 0.325 0.916 1.000 0.769 CB 1.651 15 residues pruned to eliminate duplicates Z: 14 25.743 2.126 0.659 0.848 0.923 0.769 CB 1.627 14 residues pruned to eliminate duplicates Z: 10 6.727 1.941 0.348 0.535 0.667 0.444 CB 1.243 10 residues pruned to eliminate duplicates Z: 7 14.559 1.773 0.969 0.711 1.000 0.667 CA 1.407 7 residues pruned to eliminate duplicates Z: 12 25.588 2.184 0.747 0.891 0.909 0.545 CB 1.599 12 residues pruned to eliminate duplicates Z: 16 19.458 2.037 0.258 0.896 0.867 0.800 CA 1.621 16 residues pruned to eliminate duplicates Z: 12 13.416 1.735 0.284 0.924 1.000 1.000 CB 1.275 11 residues pruned to eliminate duplicates Z: 27 16.659 1.931 0.658 0.527 0.846 0.615 CB 1.175 27 residues pruned to eliminate duplicates Z: 16 22.772 2.056 0.530 0.905 0.933 0.867 CB 1.425 16 residues pruned to eliminate duplicates Z: 16 25.092 1.963 0.841 0.854 0.867 0.600 CB 1.527 16 residues pruned to eliminate duplicates Z: 11 13.501 1.758 0.435 0.863 1.000 0.900 CA 1.242 10 residues pruned to eliminate duplicates Z: 32 38.026 2.076 0.745 0.901 0.935 0.871 CA 1.439 32 residues pruned to eliminate duplicates Z: 14 30.783 2.120 0.851 0.880 1.000 0.692 CA 1.577 14 residues pruned to eliminate duplicates Z: 27 28.779 2.098 0.684 0.580 0.923 0.654 CB 1.603 21 residues pruned to eliminate duplicates Z: 26 19.021 2.020 0.645 0.533 0.880 0.600 CB 1.259 26 residues pruned to eliminate duplicates Z: 14 23.582 1.924 0.541 0.902 1.000 0.923 N 1.574 14 residues pruned to eliminate duplicates Z: 13 18.362 1.892 0.491 0.910 1.000 0.833 CB 1.332 13 residues pruned to eliminate duplicates Z: 11 11.155 1.856 0.329 0.848 0.800 0.700 CB 1.326 11 residues pruned to eliminate duplicates Z: 18 21.153 1.775 0.615 0.854 0.941 0.706 CA 1.406 16 residues pruned to eliminate duplicates Z: 11 13.164 2.046 0.230 0.882 0.900 0.900 CB 1.330 11 residues pruned to eliminate duplicates Z: 30 38.085 1.947 0.798 0.916 0.966 0.552 CB 1.477 30 residues pruned to eliminate duplicates Z: 10 22.575 1.972 0.954 0.894 1.000 0.778 CB 1.401 10 residues pruned to eliminate duplicates Z: 7 8.277 1.579 0.750 0.767 0.833 0.500 CB 1.159 7 residues pruned to eliminate duplicates Z: 24 32.470 1.969 0.771 0.899 0.957 0.435 CB 1.452 24 residues pruned to eliminate duplicates Z: 13 23.874 2.136 0.566 0.891 1.000 0.833 CA 1.482 13 residues pruned to eliminate duplicates Z: 25 8.817 1.760 0.268 0.328 0.792 0.333 CB 1.231 25 residues pruned to eliminate duplicates Z: 14 28.640 2.109 0.842 0.906 1.000 0.692 CB 1.455 13 residues pruned to eliminate duplicates Z: 15 18.443 1.901 0.261 0.903 1.000 1.000 CA 1.465 14 residues pruned to eliminate duplicates Z: 6 12.149 2.005 0.488 0.792 1.000 0.600 CA 1.409 6 residues pruned to eliminate duplicates Z: 14 23.962 1.909 0.490 0.919 1.000 1.000 CB 1.647 12 residues pruned to eliminate duplicates Z: 59 29.983 2.138 0.534 0.455 0.879 0.603 CB 1.430 59 residues pruned to eliminate duplicates Z: 22 22.058 1.857 0.468 0.917 1.000 0.762 CB 1.246 Z: 30 35.224 1.957 0.496 0.890 1.000 0.690 CB 1.608 30 residues pruned to eliminate duplicates Z: 16 19.130 1.829 0.592 0.823 0.933 0.800 CB 1.374 16 residues pruned to eliminate duplicates Z: 30 39.584 1.968 0.741 0.932 0.966 0.655 CB 1.551 30 residues pruned to eliminate duplicates Z: 7 5.852 1.712 0.561 0.401 0.833 0.667 CB 1.190 Z: 52 32.712 2.039 0.591 0.518 0.980 0.608 CB 1.415 52 residues pruned to eliminate duplicates Z: 15 13.919 1.715 0.355 0.803 1.000 0.500 CB 1.229 13 residues pruned to eliminate duplicates Z: 13 22.116 2.105 0.380 0.910 0.917 0.917 CB 1.700 13 residues pruned to eliminate duplicates Z: 24 31.342 1.991 0.642 0.885 1.000 0.565 CB 1.444 24 residues pruned to eliminate duplicates Z: 6 5.011 1.661 0.168 0.796 1.000 0.800 CB 0.891 Z: 16 21.634 2.074 0.477 0.892 0.933 0.733 CB 1.403 16 residues pruned to eliminate duplicates Z: 13 10.446 1.845 0.319 0.424 0.917 0.750 CB 1.464 13 residues pruned to eliminate duplicates Z: 17 23.015 2.003 0.537 0.857 1.000 0.938 CB 1.377 17 residues pruned to eliminate duplicates Z: 27 32.902 2.017 0.687 0.904 0.885 0.385 CB 1.527 27 residues pruned to eliminate duplicates Z: 29 40.731 1.983 1.068 0.917 0.893 0.571 CB 1.483 29 residues pruned to eliminate duplicates Z: 9 16.844 1.772 0.782 0.886 1.000 0.875 CA 1.361 9 residues pruned to eliminate duplicates Z: 29 21.824 1.981 0.447 0.682 0.857 0.786 CA 1.420 29 residues pruned to eliminate duplicates Z: 11 16.065 2.114 0.275 0.860 1.000 1.000 CB 1.386 11 residues pruned to eliminate duplicates Z: 29 52.803 2.123 1.030 0.933 1.000 0.500 CB 1.616 29 residues pruned to eliminate duplicates Z: 13 12.964 1.667 0.417 0.885 0.917 0.500 CB 1.247 13 residues pruned to eliminate duplicates Z: 29 39.534 2.052 0.725 0.942 0.929 0.607 CB 1.576 29 residues pruned to eliminate duplicates Z: 55 32.812 1.960 0.548 0.728 0.889 0.667 CB 1.348 56 residues pruned to eliminate duplicates Z: 27 40.514 2.057 0.829 0.922 1.000 0.538 CB 1.486 27 residues pruned to eliminate duplicates Z: 23 26.625 2.059 0.427 0.890 0.955 0.818 CB 1.456 23 residues pruned to eliminate duplicates Z: 9 7.364 2.006 0.220 0.728 0.875 0.750 CB 0.989 9 residues pruned to eliminate duplicates Z: 14 17.918 1.834 0.292 0.926 1.000 1.000 CB 1.470 14 residues pruned to eliminate duplicates Z: 18 21.976 1.862 0.676 0.852 0.824 0.529 CB 1.534 22 residues pruned to eliminate duplicates Z: 9 16.273 1.932 0.494 0.884 1.000 0.750 CB 1.440 15 residues pruned to eliminate duplicates Z: 17 30.362 2.120 0.742 0.812 0.938 0.812 CA 1.672 17 residues pruned to eliminate duplicates Z: 24 32.383 1.978 0.793 0.875 0.913 0.652 CB 1.516 24 residues pruned to eliminate duplicates Z: 38 21.555 1.932 0.429 0.548 0.892 0.676 CB 1.372 38 residues pruned to eliminate duplicates Z: 27 41.448 2.071 0.809 0.936 1.000 0.808 CA 1.511 27 residues pruned to eliminate duplicates Z: 15 28.181 2.022 0.583 0.923 1.000 0.929 CB 1.653 15 residues pruned to eliminate duplicates Z: 8 8.572 1.566 1.106 0.833 0.857 0.857 CA 0.859 8 residues pruned to eliminate duplicates Z: 17 17.249 1.689 0.553 0.887 1.000 0.500 CB 1.184 Z: 20 12.776 1.801 0.797 0.450 0.789 0.632 CB 1.207 20 residues pruned to eliminate duplicates Z: 19 35.981 2.098 0.924 0.877 0.944 0.722 CA 1.615 19 residues pruned to eliminate duplicates Z: 14 28.210 2.105 0.581 0.902 1.000 0.692 CA 1.678 14 residues pruned to eliminate duplicates Z: 9 6.482 1.623 0.665 0.650 0.750 0.500 CB 0.983 9 residues pruned to eliminate duplicates Z: 10 10.082 1.797 0.431 0.857 1.000 0.778 CB 0.963 10 residues pruned to eliminate duplicates Z: 11 7.605 1.882 0.507 0.584 0.900 0.600 CB 0.869 11 residues pruned to eliminate duplicates Z: 8 19.576 2.028 0.668 0.849 1.000 0.857 CB 1.622 8 residues pruned to eliminate duplicates Z: 12 25.495 2.072 0.681 0.901 0.909 0.818 CB 1.733 12 residues pruned to eliminate duplicates Z: 8 16.993 2.036 0.806 0.862 0.857 0.857 CA 1.496 8 residues pruned to eliminate duplicates Z: 9 10.990 1.936 0.259 0.879 0.875 0.750 CA 1.321 9 residues pruned to eliminate duplicates Z: 28 53.180 2.217 1.134 0.930 0.926 0.593 CB 1.633 28 residues pruned to eliminate duplicates Z: 15 26.797 1.975 0.777 0.913 0.929 0.786 CA 1.556 15 residues pruned to eliminate duplicates Z: 8 6.594 1.861 0.262 0.504 0.857 0.286 CB 1.233 8 residues pruned to eliminate duplicates Z: 14 23.286 1.904 0.535 0.921 1.000 0.923 CB 1.555 14 residues pruned to eliminate duplicates Z: 14 21.891 1.895 0.451 0.904 1.000 0.769 CA 1.571 14 residues pruned to eliminate duplicates Z: 14 34.681 2.180 0.993 0.887 1.000 0.615 CA 1.595 14 residues pruned to eliminate duplicates Z: 39 21.804 2.008 0.393 0.558 0.842 0.553 CB 1.419 26 residues pruned to eliminate duplicates Z: 7 13.897 1.979 0.399 0.842 1.000 1.000 CB 1.527 7 residues pruned to eliminate duplicates Z: 15 13.506 1.871 0.076 0.872 0.857 0.857 CB 1.525 15 residues pruned to eliminate duplicates Z: 14 35.879 2.139 1.078 0.918 1.000 0.769 CA 1.579 15 residues pruned to eliminate duplicates Z: 30 37.902 2.249 0.442 0.935 1.000 0.862 CA 1.513 30 residues pruned to eliminate duplicates Z: 29 30.621 1.943 0.543 0.848 0.857 0.643 CA 1.671 29 residues pruned to eliminate duplicates Z: 7 2.577 1.684 0.642 0.190 0.667 0.500 C 0.828 Z: 13 25.170 2.040 0.461 0.893 1.000 0.917 CA 1.750 13 residues pruned to eliminate duplicates Z: 10 7.668 1.812 0.610 0.482 0.778 0.667 CB 1.147 Z: 26 20.335 2.130 0.477 0.543 0.800 0.600 CB 1.550 26 residues pruned to eliminate duplicates Z: 30 22.220 1.994 0.537 0.560 0.897 0.724 CB 1.416 30 residues pruned to eliminate duplicates Z: 31 23.934 2.126 0.736 0.357 0.900 0.633 CB 1.535 31 residues pruned to eliminate duplicates Z: 17 24.075 1.947 0.544 0.887 1.000 0.875 CB 1.443 17 residues pruned to eliminate duplicates Z: 22 35.901 2.184 0.832 0.896 0.905 0.667 CB 1.551 22 residues pruned to eliminate duplicates Z: 17 14.384 1.985 0.785 0.497 0.750 0.562 CB 1.356 17 residues pruned to eliminate duplicates Z: 6 6.206 1.717 0.332 0.653 1.000 0.800 CA 1.053 Z: 8 17.105 2.003 0.766 0.800 0.857 0.857 CB 1.641 8 residues pruned to eliminate duplicates Z: 64 27.221 2.176 0.503 0.425 0.794 0.476 CB 1.428 64 residues pruned to eliminate duplicates Z: 12 16.793 2.011 0.209 0.910 1.000 0.818 CB 1.476 12 residues pruned to eliminate duplicates 7 1.896 1.541 0.095 0.249 1.000 0.667 N 0.612 ? Z: 9 10.140 1.754 0.313 0.756 1.000 0.750 CB 1.239 9 residues pruned to eliminate duplicates Z: 9 6.446 2.059 0.296 0.275 0.750 0.500 CB 1.469 9 residues pruned to eliminate duplicates Z: 30 45.864 2.038 1.002 0.927 1.000 0.517 CB 1.463 30 residues pruned to eliminate duplicates Z: 15 25.444 2.024 0.647 0.931 0.929 0.857 CB 1.536 15 residues pruned to eliminate duplicates Z: 11 18.358 1.880 0.510 0.866 1.000 0.700 CA 1.497 11 residues pruned to eliminate duplicates Z: 22 22.785 1.817 0.848 0.920 0.952 0.667 CB 1.095 22 residues pruned to eliminate duplicates Z: 21 19.915 2.116 0.663 0.550 0.850 0.400 CB 1.417 20 residues pruned to eliminate duplicates Z: 9 15.497 2.066 0.412 0.829 1.000 0.875 CB 1.413 9 residues pruned to eliminate duplicates Z: 23 33.972 2.118 0.668 0.882 0.955 0.591 CB 1.554 23 residues pruned to eliminate duplicates Z: 36 48.990 2.266 0.850 0.794 0.943 0.886 CB 1.619 36 residues pruned to eliminate duplicates Z: 30 27.553 2.095 0.787 0.521 0.931 0.483 CB 1.438 32 residues pruned to eliminate duplicates Z: 32 25.195 2.021 0.784 0.507 0.871 0.516 CB 1.431 32 residues pruned to eliminate duplicates Z: 7 9.341 1.631 0.731 0.805 0.833 0.833 CA 1.241 Z: 8 10.190 2.049 -0.027 0.896 1.000 1.000 CA 1.384 8 residues pruned to eliminate duplicates Z: 15 18.873 1.938 0.484 0.812 0.929 0.857 CB 1.440 15 residues pruned to eliminate duplicates Z: 24 33.719 2.030 0.708 0.876 0.957 0.870 CB 1.540 23 residues pruned to eliminate duplicates Z: 25 29.471 1.905 0.535 0.894 1.000 0.750 CB 1.476 25 residues pruned to eliminate duplicates Z: 31 54.463 2.124 1.157 0.934 0.933 0.467 CB 1.622 31 residues pruned to eliminate duplicates Z: 10 5.857 1.872 0.139 0.572 1.000 0.333 CB 0.854 Z: 14 9.041 1.672 0.367 0.698 0.846 0.692 CB 1.082 14 residues pruned to eliminate duplicates Z: 14 16.795 1.964 0.055 0.928 1.000 1.000 CB 1.575 14 residues pruned to eliminate duplicates Z: 27 41.246 2.041 0.853 0.924 1.000 0.923 CA 1.502 27 residues pruned to eliminate duplicates Z: 11 3.181 1.740 0.072 0.255 0.700 0.500 CB 1.020 Z: 11 11.959 1.758 0.484 0.889 0.800 0.600 CB 1.305 11 residues pruned to eliminate duplicates Z: 22 42.276 2.171 1.092 0.927 1.000 0.952 CA 1.423 22 residues pruned to eliminate duplicates Z: 42 24.647 2.003 0.416 0.580 0.951 0.585 CB 1.321 44 residues pruned to eliminate duplicates Z: 41 33.618 1.992 0.733 0.760 0.925 0.600 CB 1.320 41 residues pruned to eliminate duplicates Z: 11 12.208 1.833 0.462 0.516 1.000 0.600 CB 1.417 11 residues pruned to eliminate duplicates Z: 7 10.765 1.956 0.608 0.511 1.000 0.500 CB 1.383 Z: 14 32.041 2.200 0.695 0.918 0.923 0.769 CA 1.821 14 residues pruned to eliminate duplicates Z: 11 17.046 2.111 0.362 0.875 1.000 0.800 CB 1.364 11 residues pruned to eliminate duplicates Z: 13 17.686 1.970 0.797 0.378 1.000 0.667 CA 1.642 11 residues pruned to eliminate duplicates Z: 12 19.770 1.930 1.015 0.907 0.909 0.636 CB 1.198 12 residues pruned to eliminate duplicates Z: 11 18.457 1.981 0.720 0.859 0.900 0.800 CB 1.400 11 residues pruned to eliminate duplicates Z: 15 16.468 1.885 0.110 0.906 1.000 0.929 CB 1.497 15 residues pruned to eliminate duplicates Z: 14 12.653 1.929 0.357 0.728 0.846 0.538 CB 1.290 14 residues pruned to eliminate duplicates Z: 20 34.116 2.099 0.830 0.944 1.000 0.737 CB 1.411 20 residues pruned to eliminate duplicates Z: 9 11.737 1.856 0.312 0.885 1.000 0.750 CA 1.231 9 residues pruned to eliminate duplicates Z: 7 2.007 1.568 0.550 0.301 0.667 0.500 CB 0.631 Z: 11 14.621 1.819 0.495 0.786 1.000 0.800 CB 1.322 11 residues pruned to eliminate duplicates Z: 41 26.425 2.215 0.389 0.475 0.900 0.550 CB 1.548 41 residues pruned to eliminate duplicates Z: 16 27.667 1.849 0.786 0.862 1.000 0.800 CA 1.589 15 residues pruned to eliminate duplicates Z: 15 25.523 1.878 0.643 0.884 1.000 0.643 CB 1.596 15 residues pruned to eliminate duplicates Z: 11 16.198 1.779 0.551 0.888 1.000 0.600 CB 1.337 Z: 30 54.410 2.249 1.076 0.931 1.000 0.483 CB 1.513 30 residues pruned to eliminate duplicates Z: 6 7.824 1.806 0.365 0.654 1.000 0.800 CA 1.229 Z: 9 14.034 2.074 0.267 0.878 1.000 0.875 CA 1.371 9 residues pruned to eliminate duplicates Z: 28 25.093 1.991 0.569 0.672 0.926 0.741 CB 1.424 28 residues pruned to eliminate duplicates Z: 8 10.975 1.963 0.245 0.777 1.000 0.714 CB 1.329 8 residues pruned to eliminate duplicates Z: 9 4.945 1.863 0.030 0.415 0.875 0.500 CB 1.138 9 residues pruned to eliminate duplicates Z: 12 33.249 2.289 0.825 0.892 1.000 0.455 CA 1.724 12 residues pruned to eliminate duplicates Z: 12 20.874 2.070 0.439 0.890 0.909 0.818 CB 1.673 12 residues pruned to eliminate duplicates Z: 11 14.253 1.726 0.474 0.911 1.000 0.700 CB 1.256 13 residues pruned to eliminate duplicates Z: 25 27.304 1.983 0.605 0.865 0.917 0.625 CB 1.400 25 residues pruned to eliminate duplicates Z: 11 15.298 1.880 0.342 0.897 0.900 0.800 CA 1.525 11 residues pruned to eliminate duplicates Z: 15 22.529 2.038 0.490 0.911 0.929 0.786 CB 1.512 15 residues pruned to eliminate duplicates Z: 21 22.211 1.913 0.392 0.824 0.950 0.850 CB 1.483 60 residues pruned to eliminate duplicates Z: 38 23.102 1.769 0.597 0.709 0.919 0.486 CB 1.210 25 residues pruned to eliminate duplicates Z: 24 25.588 1.997 0.689 0.619 0.870 0.609 CB 1.625 17 residues pruned to eliminate duplicates Z: 31 21.525 1.974 0.503 0.622 0.867 0.567 CB 1.362 Z: 17 4.099 1.508 0.242 0.300 0.750 0.500 CB 0.912 Z: 25 27.773 1.902 0.617 0.876 0.917 0.750 CB 1.461 25 residues pruned to eliminate duplicates Z: 28 41.115 2.037 0.860 0.940 0.926 0.556 CB 1.566 28 residues pruned to eliminate duplicates Z: 9 3.903 1.692 0.493 0.485 0.500 0.375 CB 1.108 Z: 17 24.380 1.839 0.789 0.849 1.000 0.375 CB 1.373 17 residues pruned to eliminate duplicates Z: 17 26.062 1.886 0.806 0.895 0.938 0.812 CA 1.464 17 residues pruned to eliminate duplicates Z: 13 15.226 1.616 0.666 0.854 1.000 0.667 CB 1.205 12 residues pruned to eliminate duplicates Z: 8 11.869 1.783 0.769 0.718 0.857 0.714 CA 1.363 25 residues pruned to eliminate duplicates Z: 15 14.441 1.772 0.296 0.877 0.857 0.714 CB 1.424 15 residues pruned to eliminate duplicates Z: 23 26.997 1.984 0.537 0.894 0.955 0.591 CB 1.418 23 residues pruned to eliminate duplicates Z: 6 7.119 1.969 0.761 0.417 0.800 0.600 CB 1.252 Z: 8 2.579 1.553 0.006 0.492 0.714 0.714 CB 0.881 Z: 19 35.381 2.050 0.997 0.854 1.000 0.611 CB 1.504 19 residues pruned to eliminate duplicates Z: 26 18.643 2.188 0.710 0.424 0.880 0.480 CB 1.225 26 residues pruned to eliminate duplicates Z: 6 14.376 2.024 0.994 0.852 1.000 1.000 CB 1.178 6 residues pruned to eliminate duplicates Z: 14 6.534 1.786 0.305 0.329 0.846 0.462 CB 1.108 11 residues pruned to eliminate duplicates Z: 9 24.484 2.103 1.297 0.836 0.875 0.750 CB 1.533 9 residues pruned to eliminate duplicates Z: 31 44.732 2.214 0.601 0.952 1.000 0.900 CA 1.587 31 residues pruned to eliminate duplicates Z: 12 13.750 1.683 0.725 0.859 0.818 0.636 CA 1.284 12 residues pruned to eliminate duplicates Z: 27 33.496 2.075 0.883 0.629 1.000 0.692 CB 1.489 27 residues pruned to eliminate duplicates Z: 15 24.495 1.949 0.516 0.919 1.000 0.929 CA 1.562 15 residues pruned to eliminate duplicates Z: 12 14.266 1.678 0.513 0.908 1.000 0.727 CB 1.204 12 residues pruned to eliminate duplicates Z: 30 42.028 1.992 0.901 0.902 1.000 0.517 CB 1.469 30 residues pruned to eliminate duplicates Z: 9 18.941 2.000 0.375 0.912 1.000 1.000 CB 1.725 9 residues pruned to eliminate duplicates Z: 39 31.741 2.009 0.700 0.719 0.895 0.579 CB 1.381 39 residues pruned to eliminate duplicates Z: 18 12.130 1.955 0.393 0.433 0.882 0.529 CB 1.313 18 residues pruned to eliminate duplicates Z: 15 24.809 2.035 0.858 0.902 0.857 0.643 CB 1.459 15 residues pruned to eliminate duplicates Z: 13 17.819 1.829 0.462 0.866 1.000 0.750 CB 1.408 13 residues pruned to eliminate duplicates Z: 14 14.937 1.965 0.307 0.725 0.846 0.615 CB 1.556 14 residues pruned to eliminate duplicates Z: 15 27.479 2.165 0.428 0.858 1.000 0.786 CA 1.749 15 residues pruned to eliminate duplicates Z: 31 28.424 1.975 0.831 0.627 0.933 0.500 CB 1.364 31 residues pruned to eliminate duplicates Z: 6 7.671 1.970 0.741 0.700 0.800 0.800 CB 1.042 Z: 29 15.623 1.907 0.399 0.416 0.893 0.500 CB 1.353 37 residues pruned to eliminate duplicates Z: 16 30.134 2.060 0.634 0.928 1.000 0.867 CB 1.619 16 residues pruned to eliminate duplicates Z: 11 15.856 1.888 0.714 0.723 1.000 0.400 CB 1.267 11 residues pruned to eliminate duplicates Z: 25 26.454 1.943 0.607 0.851 0.917 0.625 CB 1.397 25 residues pruned to eliminate duplicates Z: 10 12.101 1.891 0.450 0.881 1.000 0.778 CB 1.065 12 residues pruned to eliminate duplicates Z: 32 50.050 2.071 1.092 0.909 0.968 0.387 CB 1.522 32 residues pruned to eliminate duplicates Z: 16 28.720 2.106 0.705 0.857 0.933 0.867 CA 1.631 16 residues pruned to eliminate duplicates Z: 16 22.939 1.923 0.523 0.912 0.933 0.867 CB 1.534 17 residues pruned to eliminate duplicates Z: 22 41.857 2.276 0.734 0.926 1.000 0.810 CB 1.622 22 residues pruned to eliminate duplicates Z: 31 29.277 2.051 0.726 0.615 0.967 0.600 CB 1.401 31 residues pruned to eliminate duplicates Z: 10 15.331 1.825 0.709 0.907 1.000 0.778 CB 1.165 10 residues pruned to eliminate duplicates Z: 7 4.664 1.485 0.084 0.565 1.000 0.500 CB 1.111 Z: 13 12.146 1.687 0.262 0.890 1.000 0.750 CA 1.184 10 residues pruned to eliminate duplicates Z: 23 29.412 2.045 0.645 0.878 0.909 0.636 CB 1.488 23 residues pruned to eliminate duplicates Z: 10 7.479 1.932 0.218 0.340 0.889 0.556 CB 1.419 Z: 42 47.842 2.170 0.806 0.876 0.902 0.585 CB 1.535 42 residues pruned to eliminate duplicates Z: 18 20.496 1.967 1.094 0.665 0.824 0.588 CB 1.258 18 residues pruned to eliminate duplicates Z: 30 35.751 1.940 0.547 0.911 0.966 0.793 CB 1.624 30 residues pruned to eliminate duplicates Z: 10 17.214 1.867 0.468 0.842 1.000 0.889 CA 1.560 9 residues pruned to eliminate duplicates Z: 13 24.953 2.016 0.869 0.890 0.917 0.500 CB 1.501 13 residues pruned to eliminate duplicates Z: 32 32.507 2.045 0.875 0.601 0.935 0.581 CB 1.477 32 residues pruned to eliminate duplicates Z: 9 4.088 1.591 0.528 0.321 0.750 0.375 N 0.966 9 residues pruned to eliminate duplicates Z: 6 7.688 1.638 0.377 0.798 1.000 0.600 CA 1.174 6 residues pruned to eliminate duplicates Z: 7 15.726 2.051 0.885 0.811 0.833 0.833 CB 1.520 7 residues pruned to eliminate duplicates Z: 29 58.029 2.210 1.077 0.928 1.000 0.643 CB 1.673 29 residues pruned to eliminate duplicates Z: 16 20.204 1.765 0.606 0.814 1.000 0.733 CA 1.401 16 residues pruned to eliminate duplicates Z: 15 20.467 1.893 0.450 0.894 0.929 0.929 CB 1.540 15 residues pruned to eliminate duplicates Z: 16 7.417 1.713 0.306 0.430 0.867 0.667 CB 1.061 16 residues pruned to eliminate duplicates Z: 15 28.359 2.031 0.737 0.938 0.929 0.714 CB 1.609 15 residues pruned to eliminate duplicates Z: 6 3.838 1.770 -0.148 0.718 1.000 0.800 CB 0.935 Z: 19 25.307 1.885 0.649 0.863 0.944 0.833 CB 1.491 20 residues pruned to eliminate duplicates Z: 44 27.973 1.999 0.618 0.570 0.953 0.628 CB 1.292 44 residues pruned to eliminate duplicates Z: 11 5.509 1.579 0.054 0.512 0.800 0.600 CB 1.293 Z: 29 20.155 2.018 0.433 0.650 0.929 0.571 CB 1.234 20 residues pruned to eliminate duplicates Z: 24 24.164 1.957 0.432 0.841 1.000 0.652 CB 1.341 24 residues pruned to eliminate duplicates Z: 21 8.041 1.689 0.275 0.333 0.800 0.450 CB 1.254 8 residues pruned to eliminate duplicates Z: 19 16.616 1.626 0.624 0.894 0.944 0.556 CB 1.126 17 residues pruned to eliminate duplicates Z: 24 17.230 1.816 0.809 0.451 0.826 0.478 CB 1.393 24 residues pruned to eliminate duplicates Z: 10 17.376 1.854 0.750 0.783 1.000 1.000 CB 1.391 9 residues pruned to eliminate duplicates Z: 11 19.745 1.962 0.708 0.891 1.000 0.800 CB 1.340 10 residues pruned to eliminate duplicates Z: 7 5.721 1.858 0.368 0.795 0.833 0.667 CB 0.851 7 residues pruned to eliminate duplicates Z: 6 7.963 1.928 0.807 0.657 0.800 0.800 CB 1.105 Z: 54 25.627 1.910 0.600 0.501 0.887 0.491 CB 1.298 54 residues pruned to eliminate duplicates Z: 11 9.095 1.575 0.388 0.844 0.900 0.800 CB 1.087 Z: 15 17.972 1.893 0.426 0.825 0.929 0.714 CB 1.446 15 residues pruned to eliminate duplicates Z: 23 19.732 1.762 0.600 0.860 0.955 0.682 CB 1.149 23 residues pruned to eliminate duplicates Z: 9 9.624 1.854 0.240 0.918 1.000 0.875 CB 1.044 9 residues pruned to eliminate duplicates Z: 41 19.502 1.814 0.429 0.555 0.900 0.600 CB 1.254 41 residues pruned to eliminate duplicates Z: 12 20.445 2.231 0.641 0.896 0.909 0.636 CB 1.327 12 residues pruned to eliminate duplicates Z: 17 18.440 1.850 0.589 0.902 0.875 0.688 CB 1.278 17 residues pruned to eliminate duplicates Z: 14 31.474 2.196 0.672 0.884 0.923 0.769 CA 1.860 14 residues pruned to eliminate duplicates Z: 17 15.257 1.862 0.767 0.615 0.938 0.625 CB 1.109 17 residues pruned to eliminate duplicates Z: 17 13.629 1.671 0.420 0.858 0.938 0.812 CB 1.129 17 residues pruned to eliminate duplicates Z: 19 16.820 1.718 0.399 0.910 1.000 0.833 CB 1.170 19 residues pruned to eliminate duplicates Z: 7 3.627 1.742 -0.163 0.692 0.833 0.833 CB 1.022 7 residues pruned to eliminate duplicates Z: 6 4.017 1.752 0.313 0.765 0.600 0.600 CB 1.029 Z: 50 27.808 1.946 0.536 0.612 0.918 0.551 CB 1.301 50 residues pruned to eliminate duplicates Z: 10 11.061 1.877 0.344 0.911 1.000 1.000 CB 1.036 10 residues pruned to eliminate duplicates Z: 22 29.416 1.999 0.739 0.888 1.000 0.667 CB 1.329 22 residues pruned to eliminate duplicates Z: 16 7.008 1.483 0.309 0.491 0.867 0.467 CB 1.086 Z: 30 49.435 2.066 1.053 0.918 0.966 0.517 CB 1.581 30 residues pruned to eliminate duplicates Z: 27 27.093 2.094 0.708 0.619 0.885 0.538 CB 1.501 27 residues pruned to eliminate duplicates Z: 11 4.363 1.737 0.176 0.412 0.800 0.400 CB 0.926 11 residues pruned to eliminate duplicates Z: 7 5.127 1.551 -0.097 0.795 1.000 0.833 O 1.154 7 residues pruned to eliminate duplicates Z: 23 18.015 1.842 0.242 0.903 0.955 0.909 CB 1.254 23 residues pruned to eliminate duplicates Z: 16 30.773 2.180 0.688 0.823 0.933 0.800 CB 1.749 16 residues pruned to eliminate duplicates Z: 12 13.858 1.852 0.224 0.873 1.000 0.818 CA 1.342 12 residues pruned to eliminate duplicates Z: 24 16.626 1.740 0.246 0.911 1.000 0.913 CB 1.133 23 residues pruned to eliminate duplicates Z: 8 3.950 1.501 0.720 0.296 0.714 0.429 CB 1.017 Z: 33 26.454 2.045 0.568 0.630 0.938 0.594 CB 1.377 34 residues pruned to eliminate duplicates 6 1.080 1.563 0.744 0.114 0.400 0.200 CB 0.721 ? Z: 6 7.143 1.842 0.331 0.623 0.800 0.800 O 1.450 6 residues pruned to eliminate duplicates Z: 22 16.282 2.096 0.449 0.405 0.905 0.476 CB 1.429 22 residues pruned to eliminate duplicates Z: 20 19.325 1.962 0.444 0.765 0.947 0.737 CB 1.306 20 residues pruned to eliminate duplicates Z: 22 19.822 1.882 0.592 0.889 0.905 0.667 CB 1.149 22 residues pruned to eliminate duplicates Z: 8 18.838 2.205 0.752 0.795 0.857 0.571 CA 1.661 8 residues pruned to eliminate duplicates Z: 14 21.154 1.906 0.372 0.886 1.000 0.769 CB 1.619 14 residues pruned to eliminate duplicates Z: 18 25.852 2.106 0.701 0.685 0.882 0.765 CA 1.674 18 residues pruned to eliminate duplicates Z: 18 30.404 1.925 0.988 0.885 0.941 0.471 CB 1.478 18 residues pruned to eliminate duplicates Z: 6 4.500 1.576 0.037 0.698 1.000 0.800 CB 1.028 6 residues pruned to eliminate duplicates Z: 14 25.705 1.916 0.742 0.923 1.000 0.769 CB 1.502 14 residues pruned to eliminate duplicates Z: 46 28.874 2.185 0.593 0.421 0.911 0.511 CB 1.473 46 residues pruned to eliminate duplicates Z: 22 21.431 2.084 0.771 0.506 0.905 0.571 CB 1.392 23 residues pruned to eliminate duplicates Z: 15 11.968 1.896 0.188 0.750 0.857 0.500 CB 1.325 15 residues pruned to eliminate duplicates Z: 7 3.046 1.661 0.195 0.230 0.833 0.500 CB 1.029 Z: 15 31.239 2.128 0.640 0.934 1.000 0.929 CB 1.669 15 residues pruned to eliminate duplicates Z: 17 13.204 2.024 0.798 0.438 0.812 0.625 CB 1.190 17 residues pruned to eliminate duplicates Z: 11 20.486 1.881 0.811 0.852 1.000 0.600 CA 1.406 6 residues pruned to eliminate duplicates Z: 17 6.506 1.946 0.109 0.371 0.750 0.438 CB 1.154 17 residues pruned to eliminate duplicates Z: 8 8.196 1.596 1.318 0.860 0.857 0.714 CA 0.718 8 residues pruned to eliminate duplicates Z: 13 34.846 2.183 1.125 0.922 1.000 0.917 CB 1.525 13 residues pruned to eliminate duplicates Z: 12 7.779 1.780 0.745 0.458 1.000 0.727 CB 0.788 8 residues pruned to eliminate duplicates Z: 11 3.221 1.508 0.489 0.408 0.800 0.500 CB 0.624 Z: 28 34.839 1.985 0.751 0.909 0.889 0.481 CB 1.541 28 residues pruned to eliminate duplicates Z: 8 14.944 1.900 0.459 0.798 1.000 0.714 CB 1.570 8 residues pruned to eliminate duplicates Z: 11 11.576 1.662 0.464 0.870 1.000 0.700 CB 1.098 11 residues pruned to eliminate duplicates Z: 40 22.080 1.964 0.478 0.541 0.897 0.564 CB 1.304 40 residues pruned to eliminate duplicates Z: 22 13.276 1.701 0.554 0.453 0.810 0.667 CB 1.421 22 residues pruned to eliminate duplicates Z: 7 10.020 1.806 0.613 0.887 0.833 0.833 CA 1.214 7 residues pruned to eliminate duplicates Z: 16 6.323 1.559 0.348 0.416 0.867 0.467 CB 0.979 4 residues pruned to eliminate duplicates Z: 51 27.235 2.027 0.652 0.513 0.900 0.380 CB 1.262 57 residues pruned to eliminate duplicates Z: 15 24.929 1.981 0.679 0.924 0.929 0.643 CB 1.515 15 residues pruned to eliminate duplicates Z: 11 8.395 1.866 0.251 0.787 0.900 0.700 CB 0.982 11 residues pruned to eliminate duplicates Z: 33 18.895 1.777 0.602 0.673 0.906 0.500 CB 1.104 33 residues pruned to eliminate duplicates Z: 25 27.622 1.877 0.446 0.882 1.000 0.833 CA 1.503 25 residues pruned to eliminate duplicates Z: 30 45.030 2.010 0.981 0.921 0.966 0.586 CB 1.531 31 residues pruned to eliminate duplicates Z: 8 12.904 1.614 0.920 0.851 1.000 1.000 CA 1.165 8 residues pruned to eliminate duplicates Z: 28 13.640 1.917 0.350 0.418 0.889 0.593 CB 1.243 28 residues pruned to eliminate duplicates Z: 7 8.882 1.785 0.570 0.875 1.000 0.833 CB 0.941 Z: 10 4.689 1.696 0.521 0.362 0.556 0.444 CB 1.265 10 residues pruned to eliminate duplicates Z: 8 22.638 2.058 0.959 0.873 1.000 1.000 CA 1.546 8 residues pruned to eliminate duplicates Z: 24 30.387 1.946 0.481 0.895 1.000 0.913 CB 1.575 24 residues pruned to eliminate duplicates Z: 16 23.966 1.956 0.785 0.849 0.867 0.600 CB 1.516 16 residues pruned to eliminate duplicates Z: 6 3.631 1.610 0.333 0.490 0.800 0.600 CB 0.955 Z: 6 4.579 1.588 0.754 0.644 0.800 0.800 CB 0.803 Z: 31 36.422 1.916 0.637 0.854 0.967 0.633 CB 1.621 31 residues pruned to eliminate duplicates Z: 22 24.152 2.259 0.803 0.536 0.905 0.619 CB 1.381 22 residues pruned to eliminate duplicates Z: 31 20.517 1.956 0.337 0.599 0.867 0.633 CB 1.504 31 residues pruned to eliminate duplicates Z: 14 24.029 1.990 0.572 0.916 0.923 0.846 CB 1.630 14 residues pruned to eliminate duplicates Z: 38 25.348 2.010 0.505 0.572 0.919 0.676 CB 1.398 39 residues pruned to eliminate duplicates Z: 8 10.999 1.571 0.701 0.779 1.000 0.714 CA 1.216 8 residues pruned to eliminate duplicates Z: 17 17.881 1.732 0.648 0.883 0.875 0.688 CB 1.294 17 residues pruned to eliminate duplicates 6 1.146 1.787 -0.388 0.404 0.800 0.800 CB 0.648 ? Z: 9 18.824 1.958 0.557 0.862 1.000 0.875 N 1.602 9 residues pruned to eliminate duplicates Z: 16 12.580 1.659 0.269 0.903 1.000 0.933 CB 1.100 16 residues pruned to eliminate duplicates Z: 9 18.162 1.964 0.394 0.911 1.000 1.000 N 1.661 9 residues pruned to eliminate duplicates Z: 21 18.805 1.813 0.371 0.872 0.950 0.750 CB 1.299 21 residues pruned to eliminate duplicates Z: 21 22.701 1.880 0.590 0.872 1.000 0.600 CB 1.238 22 residues pruned to eliminate duplicates Z: 29 21.814 2.026 0.501 0.609 0.893 0.679 CB 1.369 29 residues pruned to eliminate duplicates Z: 18 13.152 1.845 0.668 0.667 0.824 0.353 CB 1.078 18 residues pruned to eliminate duplicates Z: 16 20.324 1.904 0.462 0.940 1.000 0.933 CB 1.309 15 residues pruned to eliminate duplicates Z: 12 13.198 1.717 0.655 0.833 0.818 0.545 CB 1.284 12 residues pruned to eliminate duplicates Z: 16 22.603 2.074 0.434 0.914 0.933 0.933 CB 1.487 16 residues pruned to eliminate duplicates Z: 16 14.945 1.691 0.216 0.926 0.933 0.733 O 1.410 16 residues pruned to eliminate duplicates Z: 39 22.873 2.009 0.465 0.514 0.895 0.605 CB 1.389 39 residues pruned to eliminate duplicates Z: 24 27.679 1.938 0.418 0.871 1.000 0.957 CB 1.531 24 residues pruned to eliminate duplicates Z: 7 5.905 1.693 -0.167 0.705 1.000 0.833 CB 1.418 7 residues pruned to eliminate duplicates Z: 29 53.020 2.082 1.344 0.935 0.929 0.464 CB 1.541 29 residues pruned to eliminate duplicates Z: 8 3.271 1.875 -0.250 0.733 0.714 0.714 CB 0.998 8 residues pruned to eliminate duplicates Z: 6 2.955 1.497 0.512 0.436 0.600 0.600 O 1.040 Z: 9 18.317 1.950 0.565 0.892 0.875 0.750 CB 1.743 9 residues pruned to eliminate duplicates Z: 46 26.738 2.109 0.735 0.511 0.822 0.511 CB 1.311 46 residues pruned to eliminate duplicates Z: 17 34.183 2.121 0.913 0.861 0.938 0.812 CA 1.650 23 residues pruned to eliminate duplicates Z: 7 3.608 1.749 0.058 0.800 0.667 0.667 CB 0.919 6 residues pruned to eliminate duplicates Z: 10 10.606 1.926 0.455 0.577 0.889 0.778 CB 1.318 10 residues pruned to eliminate duplicates Z: 17 14.575 1.688 0.296 0.934 1.000 0.812 CB 1.161 17 residues pruned to eliminate duplicates Z: 86 55.174 2.215 0.673 0.624 0.906 0.624 CB 1.586 86 residues pruned to eliminate duplicates Z: 6 13.693 1.961 1.024 0.857 1.000 1.000 CA 1.137 6 residues pruned to eliminate duplicates Z: 20 18.639 1.978 0.748 0.379 0.947 0.632 CB 1.485 20 residues pruned to eliminate duplicates Z: 6 2.797 1.381 0.423 0.490 1.000 0.600 CA 0.643 6 residues pruned to eliminate duplicates Z: 21 43.095 2.302 1.032 0.890 0.950 0.850 CA 1.560 21 residues pruned to eliminate duplicates Z: 98 54.304 2.124 0.691 0.583 0.918 0.567 CB 1.545 98 residues pruned to eliminate duplicates Z: 10 14.256 2.010 0.368 0.870 0.889 0.667 CB 1.419 10 residues pruned to eliminate duplicates Z: 45 39.477 2.196 0.459 0.792 0.955 0.864 CA 1.507 45 residues pruned to eliminate duplicates Z: 9 8.425 1.977 0.801 0.353 0.875 0.500 CB 1.121 Z: 30 32.443 2.108 1.139 0.582 0.931 0.655 CB 1.326 33 residues pruned to eliminate duplicates Z: 29 21.140 1.967 0.416 0.587 0.964 0.679 CB 1.368 29 residues pruned to eliminate duplicates Z: 24 26.936 2.024 0.607 0.713 0.913 0.870 CB 1.560 33 residues pruned to eliminate duplicates Z: 15 22.210 1.960 0.428 0.899 0.929 0.714 CB 1.632 15 residues pruned to eliminate duplicates Z: 16 10.297 2.013 0.406 0.373 0.867 0.600 CB 1.241 16 residues pruned to eliminate duplicates Z: 6 9.859 1.720 0.874 0.721 1.000 0.400 CA 1.120 6 residues pruned to eliminate duplicates Z: 16 8.855 1.754 0.393 0.424 0.867 0.667 CB 1.169 16 residues pruned to eliminate duplicates Z: 24 23.926 1.834 0.372 0.910 0.957 0.870 CB 1.471 24 residues pruned to eliminate duplicates Z: 18 24.263 1.824 0.736 0.905 0.941 0.588 CB 1.405 18 residues pruned to eliminate duplicates Z: 8 6.502 1.745 0.601 0.387 0.857 0.429 CB 1.158 Z: 12 23.124 2.289 0.423 0.901 1.000 0.909 CA 1.528 12 residues pruned to eliminate duplicates Z: 31 31.186 1.913 0.694 0.913 0.867 0.533 CB 1.435 31 residues pruned to eliminate duplicates Z: 25 26.635 1.892 0.610 0.847 0.917 0.792 CB 1.446 25 residues pruned to eliminate duplicates Z: 14 19.728 1.870 0.704 0.828 1.000 0.538 CA 1.293 14 residues pruned to eliminate duplicates Z: 21 16.249 1.861 0.656 0.596 0.850 0.750 CA 1.266 18 residues pruned to eliminate duplicates Z: 21 10.304 1.799 0.132 0.431 0.850 0.500 CB 1.429 17 residues pruned to eliminate duplicates Z: 6 8.804 1.905 -0.043 0.875 1.000 0.800 CB 1.570 6 residues pruned to eliminate duplicates Z: 10 14.150 1.869 0.760 0.926 1.000 0.889 CB 1.006 10 residues pruned to eliminate duplicates Z: 13 26.726 2.186 0.890 0.904 0.917 0.917 CB 1.451 13 residues pruned to eliminate duplicates Z: 19 18.958 1.983 0.851 0.535 0.833 0.500 CB 1.411 16 residues pruned to eliminate duplicates Z: 15 12.586 1.771 0.080 0.889 1.000 0.857 CA 1.266 15 residues pruned to eliminate duplicates Z: 32 48.377 2.153 1.074 0.938 0.903 0.677 CB 1.499 32 residues pruned to eliminate duplicates Z: 13 27.146 2.230 0.758 0.872 1.000 0.417 CB 1.457 13 residues pruned to eliminate duplicates Z: 11 7.713 1.615 0.119 0.842 0.900 0.700 CB 1.117 11 residues pruned to eliminate duplicates Z: 22 20.698 1.836 0.445 0.915 1.000 0.810 CB 1.203 22 residues pruned to eliminate duplicates Z: 28 26.644 2.037 0.634 0.636 0.963 0.630 CB 1.409 28 residues pruned to eliminate duplicates Z: 26 16.921 1.965 0.487 0.564 0.880 0.520 CB 1.237 26 residues pruned to eliminate duplicates Z: 13 22.738 2.029 0.461 0.889 0.917 0.833 CB 1.738 13 residues pruned to eliminate duplicates Z: 26 19.226 2.025 0.479 0.458 0.920 0.560 CB 1.457 26 residues pruned to eliminate duplicates Z: 16 10.081 1.687 0.347 0.454 0.933 0.600 CB 1.287 16 residues pruned to eliminate duplicates Z: 29 38.712 2.003 0.789 0.922 1.000 0.679 CB 1.436 29 residues pruned to eliminate duplicates Z: 15 13.356 1.947 0.541 0.577 0.857 0.714 CB 1.289 15 residues pruned to eliminate duplicates Z: 6 6.386 1.852 0.298 0.747 0.800 0.400 CB 1.192 6 residues pruned to eliminate duplicates Z: 6 2.506 1.665 -0.309 0.478 0.800 0.600 CB 1.246 6 1.123 1.317 0.130 0.435 0.600 0.400 CB 0.602 ? Z: 8 13.153 1.972 0.074 0.878 1.000 0.857 O 1.704 8 residues pruned to eliminate duplicates Z: 14 9.014 1.857 0.501 0.357 0.846 0.462 CB 1.237 14 residues pruned to eliminate duplicates Z: 6 5.908 1.554 0.378 0.799 1.000 1.000 CB 0.950 6 residues pruned to eliminate duplicates Z: 10 3.480 1.498 0.470 0.324 0.667 0.556 CB 0.959 Z: 20 11.961 1.937 0.330 0.423 0.947 0.632 CB 1.218 26 residues pruned to eliminate duplicates Z: 14 10.592 1.763 0.241 0.596 0.923 0.692 CB 1.328 13 residues pruned to eliminate duplicates Z: 9 10.368 1.805 0.077 0.823 1.000 0.875 CB 1.426 9 residues pruned to eliminate duplicates Z: 23 32.815 2.000 0.933 0.877 0.909 0.773 CB 1.446 23 residues pruned to eliminate duplicates Z: 7 3.884 1.538 0.471 0.300 1.000 0.500 N 0.876 Z: 6 4.773 1.581 0.291 0.668 0.800 0.600 CB 1.120 Z: 10 11.809 1.727 0.218 0.878 1.000 0.778 CB 1.358 10 residues pruned to eliminate duplicates Z: 9 21.849 1.940 0.971 0.877 1.000 0.750 CA 1.467 9 residues pruned to eliminate duplicates Z: 18 17.920 1.916 0.628 0.609 0.882 0.471 CB 1.424 20 residues pruned to eliminate duplicates Z: 8 3.406 1.630 0.385 0.780 0.714 0.571 CB 0.624 7 residues pruned to eliminate duplicates Z: 6 8.304 1.836 0.551 0.847 1.000 0.800 CB 0.969 6 residues pruned to eliminate duplicates Z: 47 31.453 2.165 0.518 0.506 0.913 0.674 CB 1.538 47 residues pruned to eliminate duplicates Z: 20 19.621 1.843 0.413 0.939 1.000 0.947 CB 1.201 20 residues pruned to eliminate duplicates Z: 27 23.077 2.052 0.662 0.634 0.808 0.462 CB 1.449 27 residues pruned to eliminate duplicates Z: 10 5.357 1.519 0.592 0.371 0.667 0.444 CA 1.271 10 residues pruned to eliminate duplicates Z: 26 40.865 2.073 1.252 0.917 0.880 0.400 CB 1.404 26 residues pruned to eliminate duplicates Z: 11 15.290 2.036 0.103 0.931 1.000 1.000 CB 1.505 11 residues pruned to eliminate duplicates Z: 16 15.168 1.653 0.597 0.867 0.933 0.867 CB 1.162 16 residues pruned to eliminate duplicates Z: 24 17.628 1.930 0.328 0.627 0.913 0.783 CB 1.394 24 residues pruned to eliminate duplicates Z: 13 5.268 1.613 0.579 0.433 0.833 0.417 CB 0.768 Z: 7 4.205 1.509 0.907 0.349 0.667 0.667 CB 1.054 Z: 28 13.689 1.961 0.341 0.452 0.778 0.444 CB 1.353 31 residues pruned to eliminate duplicates Z: 17 28.625 1.966 0.803 0.865 0.938 0.750 CA 1.577 17 residues pruned to eliminate duplicates Z: 8 19.712 2.014 1.093 0.832 1.000 0.571 CB 1.328 8 residues pruned to eliminate duplicates Z: 8 6.211 1.814 0.090 0.500 0.857 0.714 CB 1.384 8 residues pruned to eliminate duplicates Z: 11 14.014 1.851 0.366 0.878 0.900 0.700 CB 1.413 11 residues pruned to eliminate duplicates Z: 27 38.003 2.129 0.708 0.936 1.000 0.962 CA 1.427 27 residues pruned to eliminate duplicates Z: 24 23.077 1.924 0.395 0.872 0.913 0.826 CB 1.432 24 residues pruned to eliminate duplicates Z: 14 25.399 2.072 0.639 0.907 1.000 0.846 CA 1.474 14 residues pruned to eliminate duplicates Z: 26 30.307 2.213 0.342 0.855 0.960 0.880 CA 1.570 26 residues pruned to eliminate duplicates Z: 15 21.375 1.888 0.412 0.946 1.000 1.000 CA 1.481 15 residues pruned to eliminate duplicates Z: 14 17.584 1.876 0.390 0.880 1.000 0.923 CA 1.355 14 residues pruned to eliminate duplicates Z: 11 16.878 1.747 0.785 0.911 1.000 0.400 CB 1.213 11 residues pruned to eliminate duplicates Z: 10 18.507 1.856 0.672 0.871 1.000 0.778 CB 1.450 17 residues pruned to eliminate duplicates Z: 9 4.741 1.605 0.295 0.512 0.875 0.875 CB 0.911 10 residues pruned to eliminate duplicates Z: 25 14.446 1.891 0.533 0.468 0.792 0.458 CB 1.328 19 residues pruned to eliminate duplicates Z: 6 8.351 1.725 0.670 0.665 1.000 0.800 CB 1.113 Z: 12 13.072 1.990 0.841 0.408 0.818 0.636 CB 1.448 12 residues pruned to eliminate duplicates Z: 15 5.801 1.707 0.490 0.360 0.714 0.571 CB 0.992 15 residues pruned to eliminate duplicates Z: 31 18.519 1.857 0.433 0.536 0.933 0.500 CB 1.315 29 residues pruned to eliminate duplicates Z: 6 4.383 1.671 1.183 0.431 0.600 0.600 N 0.962 Z: 10 14.642 1.963 0.307 0.798 1.000 0.778 CB 1.466 10 residues pruned to eliminate duplicates Z: 8 8.306 1.661 0.872 0.520 0.714 0.429 O 1.386 Z: 13 21.329 2.060 0.480 0.935 1.000 1.000 CB 1.407 13 residues pruned to eliminate duplicates Z: 12 12.424 1.579 0.603 0.732 1.000 0.818 CB 1.201 12 residues pruned to eliminate duplicates Z: 8 2.994 1.443 0.560 0.351 0.571 0.429 CB 1.033 Z: 16 15.960 1.680 0.881 0.936 1.000 0.667 CB 0.908 14 residues pruned to eliminate duplicates Z: 32 22.034 1.947 0.401 0.530 0.903 0.548 CB 1.560 32 residues pruned to eliminate duplicates Z: 9 12.316 1.773 0.913 0.715 0.750 0.500 CB 1.410 9 residues pruned to eliminate duplicates Z: 14 28.594 2.168 0.950 0.801 0.923 0.692 CA 1.563 14 residues pruned to eliminate duplicates Z: 30 50.846 2.138 0.907 0.948 1.000 0.690 CB 1.600 30 residues pruned to eliminate duplicates Z: 16 10.844 1.653 0.066 0.938 1.000 1.000 CB 1.105 16 residues pruned to eliminate duplicates Z: 12 17.425 1.650 0.753 0.888 1.000 0.818 CA 1.309 12 residues pruned to eliminate duplicates Z: 34 20.044 2.099 0.632 0.424 0.848 0.515 CB 1.299 69 residues pruned to eliminate duplicates Z: 15 21.353 1.975 0.346 0.907 1.000 0.786 CB 1.525 15 residues pruned to eliminate duplicates Z: 25 12.122 1.929 0.473 0.311 0.875 0.583 CB 1.228 25 residues pruned to eliminate duplicates Z: 9 6.257 1.512 0.565 0.521 1.000 0.875 CB 0.915 Z: 8 10.494 1.982 0.138 0.859 1.000 0.857 CB 1.293 8 residues pruned to eliminate duplicates Z: 7 4.096 1.591 -0.044 0.598 0.833 0.667 CB 1.202 Z: 39 35.979 2.028 0.768 0.729 0.974 0.684 CB 1.360 40 residues pruned to eliminate duplicates Z: 17 28.635 1.887 0.999 0.873 0.938 0.438 CA 1.474 17 residues pruned to eliminate duplicates Z: 11 19.444 1.849 0.896 0.904 1.000 0.600 CB 1.250 11 residues pruned to eliminate duplicates Z: 19 15.439 1.636 0.640 0.866 0.944 0.667 CB 1.051 19 residues pruned to eliminate duplicates Z: 13 19.200 1.983 0.499 0.902 0.917 0.917 CB 1.451 13 residues pruned to eliminate duplicates Z: 9 9.760 1.666 0.338 0.746 0.875 0.375 CA 1.420 11 residues pruned to eliminate duplicates Z: 16 24.331 1.687 1.158 0.911 0.933 0.533 CB 1.310 14 residues pruned to eliminate duplicates Z: 9 10.283 1.836 0.409 0.665 0.875 0.750 CB 1.378 9 residues pruned to eliminate duplicates Z: 12 16.779 1.732 0.530 0.898 1.000 0.636 CB 1.365 16 residues pruned to eliminate duplicates Z: 75 47.006 2.152 0.532 0.658 0.919 0.797 CB 1.558 75 residues pruned to eliminate duplicates Z: 9 7.655 1.627 0.782 0.804 0.750 0.500 CB 0.954 9 residues pruned to eliminate duplicates Z: 6 2.584 1.472 0.407 0.367 0.600 0.400 CB 1.072 Z: 6 8.193 1.815 0.386 0.757 0.800 0.600 CA 1.450 6 residues pruned to eliminate duplicates Z: 18 21.538 1.774 0.639 0.859 0.941 0.824 CA 1.405 18 residues pruned to eliminate duplicates Z: 6 5.536 1.491 0.560 0.809 1.000 0.200 CB 0.813 6 residues pruned to eliminate duplicates Z: 16 11.307 1.685 0.462 0.914 1.000 0.733 CB 0.839 16 residues pruned to eliminate duplicates Z: 26 23.728 1.998 0.413 0.713 0.960 0.680 CB 1.444 17 residues pruned to eliminate duplicates Z: 13 5.327 1.570 0.183 0.509 0.917 0.417 CB 0.895 13 residues pruned to eliminate duplicates Z: 38 39.666 2.099 0.907 0.616 0.892 0.514 CB 1.636 38 residues pruned to eliminate duplicates Z: 28 40.994 2.064 0.738 0.932 1.000 0.852 CB 1.536 28 residues pruned to eliminate duplicates Z: 20 9.528 1.733 0.222 0.486 0.842 0.474 CB 1.243 20 residues pruned to eliminate duplicates Z: 6 6.055 1.875 0.502 0.498 0.800 0.800 CB 1.204 Z: 8 4.002 1.757 0.206 0.467 0.857 0.714 CB 0.861 Z: 89 49.660 2.160 0.691 0.563 0.898 0.614 CB 1.520 89 residues pruned to eliminate duplicates Z: 15 14.125 1.897 0.437 0.444 0.929 0.643 CB 1.580 15 residues pruned to eliminate duplicates Z: 11 26.536 2.372 0.753 0.633 1.000 0.600 CA 1.781 11 residues pruned to eliminate duplicates Z: 12 16.076 1.728 0.627 0.910 1.000 0.909 CB 1.222 11 residues pruned to eliminate duplicates Z: 15 27.469 2.025 0.726 0.880 1.000 0.786 CA 1.522 15 residues pruned to eliminate duplicates Z: 23 21.039 1.783 0.447 0.922 0.955 0.818 CB 1.281 23 residues pruned to eliminate duplicates Z: 29 22.932 2.039 0.274 0.761 0.929 0.857 CA 1.425 29 residues pruned to eliminate duplicates Z: 12 22.534 2.123 0.524 0.903 0.909 0.545 CB 1.646 12 residues pruned to eliminate duplicates Z: 23 29.417 1.972 0.882 0.908 0.864 0.591 CB 1.390 24 residues pruned to eliminate duplicates Z: 18 14.370 1.750 0.570 0.474 1.000 0.588 CB 1.301 18 residues pruned to eliminate duplicates Z: 7 3.062 1.499 0.369 0.462 0.667 0.333 CB 0.950 6 1.855 1.430 0.182 0.450 0.600 0.400 N 0.861 ? Z: 27 25.878 2.011 0.431 0.730 1.000 0.808 CB 1.434 27 residues pruned to eliminate duplicates Z: 20 22.648 2.181 0.903 0.502 0.947 0.421 CB 1.318 20 residues pruned to eliminate duplicates Z: 10 16.460 1.946 0.434 0.832 1.000 0.778 CB 1.476 10 residues pruned to eliminate duplicates Z: 7 5.512 1.474 0.591 0.698 0.833 0.833 CB 0.961 7 residues pruned to eliminate duplicates Z: 34 24.525 1.999 0.474 0.566 0.909 0.758 CB 1.495 34 residues pruned to eliminate duplicates Z: 17 11.474 1.904 0.104 0.601 0.875 0.625 CA 1.416 17 residues pruned to eliminate duplicates Z: 21 13.481 1.630 0.672 0.907 0.850 0.700 CB 0.924 21 residues pruned to eliminate duplicates Z: 25 29.271 1.993 0.601 0.877 0.917 0.625 CB 1.484 25 residues pruned to eliminate duplicates Z: 17 18.823 1.761 0.682 0.862 0.938 0.500 CB 1.244 17 residues pruned to eliminate duplicates Z: 8 12.717 1.893 0.261 0.797 1.000 0.857 CB 1.552 8 residues pruned to eliminate duplicates Z: 27 29.979 2.017 0.686 0.713 0.962 0.769 CB 1.483 27 residues pruned to eliminate duplicates Z: 16 18.153 1.726 0.644 0.904 0.933 0.800 CB 1.261 16 residues pruned to eliminate duplicates Z: 13 17.147 1.821 0.535 0.828 0.917 0.667 CB 1.454 13 residues pruned to eliminate duplicates Z: 7 2.573 1.331 0.351 0.453 0.833 0.500 CB 0.736 Z: 27 23.329 2.037 0.479 0.923 0.808 0.538 CB 1.321 27 residues pruned to eliminate duplicates Z: 15 9.677 1.774 0.336 0.464 0.857 0.429 CB 1.321 15 residues pruned to eliminate duplicates Z: 10 4.609 1.723 0.433 0.388 0.667 0.444 CB 1.051 Z: 40 29.123 2.045 0.534 0.531 0.974 0.718 CB 1.480 40 residues pruned to eliminate duplicates Z: 6 10.221 1.646 0.886 0.643 1.000 0.800 CB 1.289 Z: 12 8.418 1.566 0.506 0.802 0.818 0.636 CB 1.010 12 residues pruned to eliminate duplicates Z: 11 13.708 1.670 0.884 0.907 0.900 0.300 CB 1.088 11 residues pruned to eliminate duplicates Z: 61 47.173 2.202 0.813 0.541 0.933 0.567 CB 1.571 61 residues pruned to eliminate duplicates Z: 21 29.335 2.057 0.626 0.746 1.000 0.600 CB 1.574 21 residues pruned to eliminate duplicates Z: 6 3.743 1.667 -0.026 0.810 1.000 0.800 CB 0.787 6 residues pruned to eliminate duplicates Z: 18 15.330 1.992 0.752 0.461 0.882 0.176 CB 1.256 18 residues pruned to eliminate duplicates Z: 10 9.280 1.888 0.293 0.814 0.889 0.889 CB 1.085 10 residues pruned to eliminate duplicates Z: 12 9.370 1.807 0.192 0.841 0.909 0.727 CB 1.076 12 residues pruned to eliminate duplicates Z: 18 13.369 1.677 0.156 0.922 1.000 1.000 CB 1.176 18 residues pruned to eliminate duplicates Z: 19 16.944 2.159 0.223 0.636 0.889 0.500 CB 1.497 19 residues pruned to eliminate duplicates Z: 8 4.032 1.875 0.143 0.316 0.857 0.571 CA 1.017 8 residues pruned to eliminate duplicates Z: 19 10.684 1.645 0.553 0.832 0.778 0.556 CB 0.952 19 residues pruned to eliminate duplicates Z: 26 21.036 1.912 0.477 0.668 0.920 0.720 CB 1.386 26 residues pruned to eliminate duplicates Z: 40 29.648 2.045 0.663 0.536 0.923 0.667 CB 1.460 40 residues pruned to eliminate duplicates Z: 19 19.580 1.690 0.763 0.924 1.000 0.833 CB 1.088 20 residues pruned to eliminate duplicates Z: 8 5.236 1.725 0.079 0.810 1.000 0.857 CA 0.812 8 residues pruned to eliminate duplicates Z: 16 13.145 1.713 0.327 0.946 0.933 0.600 CB 1.106 16 residues pruned to eliminate duplicates Z: 20 24.922 1.891 0.633 0.931 1.000 0.895 CB 1.293 21 residues pruned to eliminate duplicates Z: 20 15.595 1.681 0.460 0.904 0.947 0.895 CB 1.096 20 residues pruned to eliminate duplicates Z: 11 8.857 1.767 0.280 0.649 1.000 0.700 CB 1.078 11 residues pruned to eliminate duplicates Z: 19 18.076 1.669 0.797 0.905 1.000 0.722 CB 1.011 19 residues pruned to eliminate duplicates Z: 20 18.525 1.656 0.848 0.889 0.947 0.737 CB 1.056 19 residues pruned to eliminate duplicates Z: 7 10.030 1.645 0.639 0.692 1.000 0.667 N 1.275 7 residues pruned to eliminate duplicates Z: 8 21.708 2.261 0.940 0.880 1.000 0.714 CB 1.356 8 residues pruned to eliminate duplicates Z: 6 2.905 1.874 -0.012 0.505 0.800 0.800 CB 0.873 6 residues pruned to eliminate duplicates Z: 6 8.027 1.772 0.149 0.812 1.000 0.600 CB 1.344 6 residues pruned to eliminate duplicates Z: 9 12.400 1.705 0.591 0.837 0.875 0.625 CA 1.381 9 residues pruned to eliminate duplicates Z: 10 15.324 1.868 0.771 0.831 1.000 0.556 CA 1.160 Z: 9 15.911 1.884 0.762 0.785 0.875 0.750 CA 1.507 Z: 11 7.206 1.560 0.418 0.804 0.800 0.600 CA 0.987 11 residues pruned to eliminate duplicates Z: 14 8.198 1.605 0.222 0.819 0.923 0.769 CB 0.952 14 residues pruned to eliminate duplicates Z: 6 9.252 1.897 0.773 0.794 1.000 1.000 CB 0.950 6 residues pruned to eliminate duplicates Z: 8 7.279 1.707 0.582 0.827 0.857 0.714 CB 0.896 8 residues pruned to eliminate duplicates Z: 10 5.714 1.578 0.324 0.342 0.778 0.444 CB 1.392 10 residues pruned to eliminate duplicates Z: 40 24.233 1.966 0.356 0.636 0.897 0.692 CB 1.427 46 residues pruned to eliminate duplicates Z: 11 5.893 1.738 0.484 0.319 0.900 0.500 CB 0.981 11 residues pruned to eliminate duplicates Z: 12 14.011 1.687 0.560 0.925 1.000 0.909 CB 1.127 12 residues pruned to eliminate duplicates Z: 17 22.559 1.857 0.952 0.687 0.875 0.500 N 1.499 16 residues pruned to eliminate duplicates Z: 12 9.411 1.700 0.543 0.803 0.818 0.636 CB 1.015 12 residues pruned to eliminate duplicates Z: 53 28.382 1.961 0.704 0.536 0.904 0.442 CB 1.258 53 residues pruned to eliminate duplicates Z: 39 38.352 2.081 0.601 0.805 0.947 0.842 CA 1.511 39 residues pruned to eliminate duplicates Z: 37 30.648 2.002 0.786 0.719 0.889 0.722 CB 1.319 37 residues pruned to eliminate duplicates Z: 8 10.025 2.017 0.404 0.540 0.857 0.714 CB 1.501 8 residues pruned to eliminate duplicates Z: 12 10.763 1.743 0.702 0.676 1.000 0.545 CB 0.929 12 residues pruned to eliminate duplicates Z: 8 3.658 1.563 0.598 0.243 0.714 0.571 CA 1.044 Z: 13 8.997 1.833 0.448 0.517 0.750 0.500 CB 1.282 13 residues pruned to eliminate duplicates Z: 11 13.993 2.011 0.440 0.789 0.900 0.600 CB 1.316 11 residues pruned to eliminate duplicates Z: 43 28.745 2.079 0.578 0.500 0.952 0.667 CB 1.420 43 residues pruned to eliminate duplicates Z: 12 11.227 1.721 0.239 0.906 1.000 1.000 CB 1.129 12 residues pruned to eliminate duplicates Z: 28 16.056 1.956 0.414 0.523 0.926 0.556 CB 1.180 23 residues pruned to eliminate duplicates Z: 16 21.085 1.928 0.483 0.858 0.933 0.800 CB 1.502 16 residues pruned to eliminate duplicates Z: 18 10.165 1.672 0.412 0.475 1.000 0.588 CB 1.072 16 residues pruned to eliminate duplicates Z: 8 6.824 1.336 0.638 0.818 1.000 0.429 CB 0.895 8 residues pruned to eliminate duplicates Z: 10 8.797 1.612 0.586 0.645 0.778 0.778 CB 1.288 10 residues pruned to eliminate duplicates Z: 6 7.921 1.781 0.422 0.753 1.000 0.800 CB 1.117 6 residues pruned to eliminate duplicates Z: 17 18.289 1.943 0.222 0.871 1.000 0.750 CA 1.405 17 residues pruned to eliminate duplicates Z: 9 7.304 1.704 0.346 0.875 1.000 0.750 CB 0.819 9 residues pruned to eliminate duplicates Z: 38 20.530 2.009 0.449 0.559 0.865 0.432 CB 1.266 38 residues pruned to eliminate duplicates Z: 13 12.160 1.813 0.702 0.471 0.917 0.667 CB 1.278 12 residues pruned to eliminate duplicates Z: 13 22.554 1.968 0.596 0.829 1.000 0.750 CA 1.560 13 residues pruned to eliminate duplicates Z: 11 11.978 1.743 0.139 0.895 1.000 0.900 CB 1.367 11 residues pruned to eliminate duplicates Z: 19 20.911 1.951 0.665 0.811 0.944 0.333 CB 1.225 19 residues pruned to eliminate duplicates Z: 14 7.714 1.769 0.152 0.542 0.846 0.692 CB 1.190 14 residues pruned to eliminate duplicates Z: 9 5.107 1.536 0.390 0.485 0.875 0.250 CB 0.982 9 residues pruned to eliminate duplicates Z: 29 46.473 2.168 0.863 0.902 1.000 0.929 CA 1.552 29 residues pruned to eliminate duplicates Z: 30 49.268 2.284 0.716 0.940 1.000 0.621 CB 1.622 30 residues pruned to eliminate duplicates Z: 19 13.447 1.996 0.730 0.249 0.944 0.667 CA 1.297 19 residues pruned to eliminate duplicates Z: 19 17.487 2.046 0.736 0.574 0.833 0.611 CB 1.297 19 residues pruned to eliminate duplicates Z: 17 22.218 1.854 0.555 0.871 1.000 0.875 CA 1.406 17 residues pruned to eliminate duplicates Z: 7 3.471 1.748 0.021 0.559 1.000 0.833 CB 0.750 Z: 15 11.619 1.731 0.555 0.441 0.929 0.571 CB 1.320 15 residues pruned to eliminate duplicates Z: 13 13.019 1.516 0.491 0.858 1.000 0.500 CB 1.224 11 residues pruned to eliminate duplicates Z: 13 10.942 1.647 0.059 0.866 1.000 0.833 CB 1.326 13 residues pruned to eliminate duplicates Z: 10 11.759 1.678 0.639 0.655 1.000 0.667 N 1.233 Z: 10 15.272 2.094 0.544 0.678 0.889 0.667 CA 1.503 11 residues pruned to eliminate duplicates Z: 11 15.073 1.764 0.747 0.845 0.900 0.800 CA 1.278 11 residues pruned to eliminate duplicates Z: 6 2.725 1.581 0.064 0.491 0.800 0.400 CB 0.914 Z: 24 16.024 1.998 0.669 0.469 0.913 0.565 CB 1.132 24 residues pruned to eliminate duplicates Z: 15 11.575 1.696 0.187 0.886 0.929 0.929 CB 1.194 15 residues pruned to eliminate duplicates Z: 11 5.118 1.648 0.359 0.377 0.800 0.500 CB 1.030 7 residues pruned to eliminate duplicates Z: 44 32.886 2.084 0.675 0.518 0.977 0.581 CB 1.444 44 residues pruned to eliminate duplicates Z: 7 6.167 1.594 0.111 0.828 1.000 1.000 CB 1.071 7 residues pruned to eliminate duplicates Z: 14 26.347 2.034 0.650 0.931 1.000 0.615 CB 1.522 14 residues pruned to eliminate duplicates Z: 24 9.179 1.768 0.626 0.297 0.652 0.261 CA 1.281 23 residues pruned to eliminate duplicates Z: 15 17.668 1.726 0.318 0.907 1.000 0.857 CB 1.475 15 residues pruned to eliminate duplicates Z: 12 3.941 1.563 0.575 0.279 0.545 0.273 CB 1.136 Z: 25 20.268 2.009 0.699 0.570 0.792 0.458 CB 1.430 25 residues pruned to eliminate duplicates Z: 13 13.963 1.775 0.398 0.875 1.000 0.750 CB 1.182 12 residues pruned to eliminate duplicates Z: 13 7.420 1.587 0.431 0.430 0.917 0.500 CB 1.107 13 residues pruned to eliminate duplicates 6 0.815 1.241 0.655 0.300 0.400 0.400 CB 0.555 ? Z: 12 19.680 1.896 0.783 0.843 1.000 0.455 CB 1.307 12 residues pruned to eliminate duplicates Z: 16 13.042 1.713 0.406 0.773 0.933 0.400 CB 1.176 16 residues pruned to eliminate duplicates Z: 18 18.760 1.844 0.519 0.914 0.941 0.824 CB 1.221 18 residues pruned to eliminate duplicates Z: 15 10.716 1.798 0.365 0.502 0.857 0.714 CB 1.358 14 residues pruned to eliminate duplicates Z: 6 2.834 1.462 0.106 0.597 1.000 0.600 CB 0.715 Z: 10 11.497 1.809 0.896 0.925 1.000 1.000 CB 0.784 10 residues pruned to eliminate duplicates Z: 10 14.012 1.608 0.871 0.859 0.889 0.778 CB 1.286 10 residues pruned to eliminate duplicates Z: 36 28.151 2.075 0.697 0.497 0.943 0.571 CB 1.438 37 residues pruned to eliminate duplicates Z: 11 14.239 1.727 0.657 0.886 0.900 0.900 CB 1.261 11 residues pruned to eliminate duplicates Z: 15 8.645 1.586 0.058 0.749 0.929 0.643 CB 1.187 15 residues pruned to eliminate duplicates Z: 22 12.563 1.611 0.582 0.880 0.905 0.429 CB 0.862 22 residues pruned to eliminate duplicates Z: 14 13.136 1.726 0.485 0.685 0.923 0.615 CB 1.300 21 residues pruned to eliminate duplicates Z: 7 7.971 1.726 0.561 0.589 0.833 0.500 CA 1.331 7 residues pruned to eliminate duplicates Z: 39 32.889 1.993 0.812 0.715 0.895 0.553 CB 1.359 39 residues pruned to eliminate duplicates Z: 6 4.701 1.303 0.672 0.813 0.800 0.600 CA 0.919 Z: 16 23.897 2.029 0.508 0.880 1.000 0.667 CB 1.462 16 residues pruned to eliminate duplicates Z: 12 12.594 1.889 0.315 0.865 1.000 0.545 CB 1.120 12 residues pruned to eliminate duplicates Z: 27 29.094 2.052 0.525 0.712 1.000 0.692 CB 1.505 27 residues pruned to eliminate duplicates Z: 25 23.949 2.078 0.578 0.669 0.917 0.542 CB 1.390 28 residues pruned to eliminate duplicates Z: 6 6.650 1.638 0.425 0.478 1.000 0.800 C 1.302 6 residues pruned to eliminate duplicates Z: 13 16.217 1.987 0.547 0.637 0.917 0.667 CB 1.461 13 residues pruned to eliminate duplicates Z: 9 15.896 1.918 0.344 0.880 1.000 1.000 CB 1.579 9 residues pruned to eliminate duplicates Z: 8 8.343 1.713 0.324 0.842 0.857 0.857 CB 1.209 8 residues pruned to eliminate duplicates Z: 19 22.159 2.082 0.869 0.576 0.833 0.389 CB 1.497 19 residues pruned to eliminate duplicates 6 1.785 1.382 0.204 0.298 0.600 0.400 O 1.002 ? Z: 12 20.194 1.803 0.838 0.879 1.000 0.636 CA 1.333 12 residues pruned to eliminate duplicates Z: 10 13.680 1.768 0.542 0.879 1.000 1.000 CA 1.212 10 residues pruned to eliminate duplicates Z: 16 9.326 1.740 0.368 0.472 0.800 0.667 CB 1.301 16 residues pruned to eliminate duplicates Z: 47 24.558 1.954 0.410 0.583 0.848 0.652 CB 1.431 47 residues pruned to eliminate duplicates Z: 30 26.421 1.902 0.639 0.640 0.966 0.621 CB 1.429 28 residues pruned to eliminate duplicates Z: 8 9.521 1.835 0.362 0.586 0.857 0.714 O 1.547 8 residues pruned to eliminate duplicates Z: 22 22.860 1.996 0.610 0.827 0.857 0.667 CB 1.365 22 residues pruned to eliminate duplicates Z: 13 12.250 1.927 0.695 0.456 0.833 0.417 CB 1.359 13 residues pruned to eliminate duplicates Z: 26 31.351 1.944 0.547 0.826 1.000 0.600 CB 1.572 26 residues pruned to eliminate duplicates Z: 19 18.216 1.817 0.397 0.919 0.944 0.833 CB 1.261 19 residues pruned to eliminate duplicates Z: 21 14.737 1.866 0.569 0.428 0.950 0.500 CB 1.276 21 residues pruned to eliminate duplicates Z: 24 17.647 2.069 0.600 0.528 0.870 0.565 CB 1.244 24 residues pruned to eliminate duplicates Z: 39 24.807 2.030 0.568 0.540 0.921 0.474 CB 1.320 39 residues pruned to eliminate duplicates Z: 12 10.245 1.543 0.242 0.737 1.000 0.545 CB 1.303 12 residues pruned to eliminate duplicates Z: 16 12.614 1.766 0.642 0.656 0.867 0.467 CB 1.121 16 residues pruned to eliminate duplicates Z: 15 12.705 1.664 0.227 0.814 0.929 0.714 CB 1.363 15 residues pruned to eliminate duplicates Z: 7 5.582 1.558 0.597 0.475 1.000 0.500 N 0.940 7 residues pruned to eliminate duplicates Z: 29 39.217 2.045 0.916 0.896 0.929 0.500 CB 1.458 29 residues pruned to eliminate duplicates Z: 9 24.384 2.135 0.703 0.911 1.000 0.875 CB 1.681 9 residues pruned to eliminate duplicates Z: 12 9.660 1.633 0.769 0.843 0.818 0.545 CB 0.917 12 residues pruned to eliminate duplicates Z: 14 25.920 1.968 0.689 0.891 1.000 0.692 CB 1.556 14 residues pruned to eliminate duplicates Z: 18 6.907 1.519 0.258 0.436 0.765 0.412 N 1.224 11 residues pruned to eliminate duplicates Z: 8 3.541 1.538 1.034 0.768 0.714 0.571 CB 0.473 8 residues pruned to eliminate duplicates Z: 6 3.666 1.648 0.200 0.447 0.800 0.400 N 1.095 Z: 6 10.638 1.909 0.882 0.758 1.000 0.800 CB 1.053 6 residues pruned to eliminate duplicates Z: 17 40.805 2.115 1.278 0.939 0.875 0.500 CA 1.681 19 residues pruned to eliminate duplicates Z: 15 29.845 1.999 0.712 0.854 1.000 0.786 CA 1.721 15 residues pruned to eliminate duplicates Z: 18 12.166 1.731 0.615 0.450 0.882 0.412 CB 1.259 18 residues pruned to eliminate duplicates Z: 23 21.948 2.254 0.625 0.427 0.909 0.409 CB 1.516 23 residues pruned to eliminate duplicates Z: 7 4.015 1.447 0.424 0.411 0.833 0.500 O 1.048 Z: 15 31.048 2.163 0.730 0.884 0.929 0.714 CB 1.725 15 residues pruned to eliminate duplicates Z: 14 14.113 1.722 0.329 0.858 0.923 0.846 CB 1.365 14 residues pruned to eliminate duplicates Z: 6 4.928 1.436 0.155 0.796 1.000 0.800 CA 1.025 6 residues pruned to eliminate duplicates Z: 11 6.832 1.678 0.764 0.338 0.800 0.200 CB 1.089 11 residues pruned to eliminate duplicates Z: 15 7.831 1.714 0.460 0.465 0.929 0.500 CB 0.934 15 residues pruned to eliminate duplicates Z: 14 23.628 2.107 0.585 0.852 1.000 0.769 CA 1.452 14 residues pruned to eliminate duplicates Z: 25 18.057 2.033 0.716 0.518 0.875 0.583 CB 1.186 25 residues pruned to eliminate duplicates Z: 6 12.098 2.210 0.262 0.738 1.000 0.400 CB 1.566 6 residues pruned to eliminate duplicates 6 1.311 1.428 0.518 0.354 0.600 0.600 CB 0.528 ? 6 1.277 1.289 -0.035 0.441 0.600 0.400 N 0.813 ? Z: 10 4.580 2.062 -0.086 0.239 1.000 0.222 CB 1.096 10 residues pruned to eliminate duplicates Z: 21 15.073 1.611 0.482 0.861 0.950 0.650 CB 1.091 21 residues pruned to eliminate duplicates Z: 11 2.891 1.393 0.317 0.329 0.900 0.400 CB 0.668 Z: 12 22.072 1.972 0.564 0.909 1.000 0.909 CB 1.532 12 residues pruned to eliminate duplicates Z: 16 17.537 1.975 0.224 0.845 0.933 0.867 CA 1.493 16 residues pruned to eliminate duplicates Z: 23 9.425 1.838 -0.049 0.385 0.909 0.591 CB 1.430 27 residues pruned to eliminate duplicates Z: 12 15.087 1.683 0.579 0.884 1.000 1.000 CA 1.237 12 residues pruned to eliminate duplicates Z: 18 16.918 1.991 0.569 0.502 1.000 0.706 CB 1.311 16 residues pruned to eliminate duplicates Z: 8 8.746 1.625 0.345 0.794 0.857 0.714 N 1.364 8 residues pruned to eliminate duplicates Z: 9 17.050 1.959 0.584 0.871 1.000 1.000 CA 1.417 10 residues pruned to eliminate duplicates Z: 15 12.246 1.661 0.163 0.908 0.929 0.571 CB 1.296 15 residues pruned to eliminate duplicates Z: 32 49.396 2.062 1.251 0.915 0.935 0.484 CB 1.444 32 residues pruned to eliminate duplicates Z: 11 6.095 1.783 0.416 0.415 0.800 0.600 CB 1.043 11 residues pruned to eliminate duplicates Z: 13 3.924 1.519 -0.044 0.300 0.750 0.583 CA 1.301 13 residues pruned to eliminate duplicates Z: 7 3.517 1.524 0.199 0.411 1.000 0.500 CB 0.862 Z: 12 11.749 1.784 0.246 0.798 0.909 0.545 CB 1.351 10 residues pruned to eliminate duplicates Z: 19 32.353 1.971 1.015 0.833 1.000 0.722 CA 1.441 19 residues pruned to eliminate duplicates 6 1.688 1.436 0.387 0.296 0.400 0.400 N 1.189 ? Z: 25 12.682 1.726 0.263 0.548 0.958 0.625 CB 1.182 25 residues pruned to eliminate duplicates Z: 6 5.868 1.855 0.280 0.839 1.000 1.000 CB 0.825 6 residues pruned to eliminate duplicates Z: 13 9.188 1.559 0.363 0.623 1.000 0.667 CB 1.112 13 residues pruned to eliminate duplicates Z: 15 11.624 1.739 0.039 0.918 1.000 0.929 CB 1.212 15 residues pruned to eliminate duplicates Z: 12 5.021 1.678 0.341 0.541 0.818 0.636 CB 0.790 12 residues pruned to eliminate duplicates Z: 10 5.885 1.677 0.480 0.501 0.778 0.444 CB 1.016 10 residues pruned to eliminate duplicates Z: 9 7.377 1.885 0.261 0.664 0.875 0.750 CB 1.077 9 residues pruned to eliminate duplicates Z: 16 12.280 1.754 0.767 0.745 0.667 0.333 CB 1.232 16 residues pruned to eliminate duplicates Z: 14 26.308 2.024 0.896 0.857 1.000 0.769 CB 1.400 14 residues pruned to eliminate duplicates Z: 22 21.139 1.977 0.540 0.655 0.952 0.714 CB 1.378 22 residues pruned to eliminate duplicates Z: 22 19.796 1.835 0.700 0.924 0.905 0.714 CB 1.075 22 residues pruned to eliminate duplicates Z: 10 12.530 1.845 0.532 0.897 1.000 0.889 CB 1.057 10 residues pruned to eliminate duplicates Z: 10 5.495 1.484 0.415 0.375 1.000 0.556 N 0.996 10 residues pruned to eliminate duplicates Z: 13 17.073 1.678 0.702 0.867 1.000 0.833 CA 1.262 13 residues pruned to eliminate duplicates Z: 15 21.926 1.955 0.454 0.929 1.000 0.500 CB 1.443 15 residues pruned to eliminate duplicates Z: 35 30.052 1.975 0.781 0.569 0.941 0.500 CB 1.457 35 residues pruned to eliminate duplicates Z: 15 12.717 1.717 0.214 0.919 1.000 0.929 CB 1.149 15 residues pruned to eliminate duplicates Z: 11 4.013 1.750 0.217 0.355 0.700 0.500 CB 0.996 11 residues pruned to eliminate duplicates Z: 16 21.226 2.018 0.462 0.783 0.933 0.800 CB 1.550 16 residues pruned to eliminate duplicates Z: 11 12.172 1.690 0.380 0.912 1.000 0.900 O 1.169 11 residues pruned to eliminate duplicates Z: 23 51.495 2.220 1.271 0.899 0.955 0.682 CB 1.630 23 residues pruned to eliminate duplicates Z: 7 7.712 1.942 0.533 0.403 0.833 0.833 CA 1.407 7 residues pruned to eliminate duplicates Z: 7 5.701 1.701 0.529 0.371 0.833 0.500 N 1.233 Z: 9 6.547 1.502 -0.086 0.892 1.000 0.875 CB 1.211 9 residues pruned to eliminate duplicates Z: 9 5.832 1.671 0.025 0.747 0.875 0.625 CA 1.103 9 residues pruned to eliminate duplicates Z: 9 8.740 1.606 0.562 0.828 1.000 0.750 CA 0.927 9 residues pruned to eliminate duplicates Z: 23 16.332 1.848 0.412 0.528 0.955 0.455 CB 1.360 23 residues pruned to eliminate duplicates Z: 6 3.676 1.598 0.530 0.299 0.800 0.400 O 1.052 Z: 7 2.239 1.457 0.857 0.258 0.500 0.167 CB 0.892 Z: 11 13.224 1.576 0.582 0.895 1.000 0.800 CB 1.202 11 residues pruned to eliminate duplicates Z: 12 32.569 2.267 0.837 0.874 1.000 0.727 CA 1.716 12 residues pruned to eliminate duplicates Z: 12 10.580 1.874 0.366 0.461 0.909 0.727 CB 1.427 12 residues pruned to eliminate duplicates Z: 10 6.272 1.812 0.418 0.218 0.778 0.222 CB 1.457 10 residues pruned to eliminate duplicates Z: 6 5.640 1.555 0.594 0.493 0.800 0.200 N 1.282 6 residues pruned to eliminate duplicates Z: 11 6.137 1.802 -0.189 0.828 1.000 0.800 CB 1.000 11 residues pruned to eliminate duplicates 7 1.915 1.314 0.303 0.377 0.500 0.167 O 1.041 ? Z: 17 15.259 1.935 0.576 0.483 0.875 0.500 CB 1.454 19 residues pruned to eliminate duplicates Z: 20 10.597 1.871 0.147 0.507 0.842 0.579 CB 1.336 20 residues pruned to eliminate duplicates Z: 6 3.118 1.640 -0.132 0.610 0.800 0.600 CB 1.103 Z: 6 15.366 2.031 0.925 0.886 1.000 1.000 CA 1.268 6 residues pruned to eliminate duplicates Z: 21 26.112 1.870 0.685 0.828 0.900 0.750 CA 1.550 21 residues pruned to eliminate duplicates Z: 14 21.202 2.004 0.521 0.927 0.923 0.692 CB 1.464 14 residues pruned to eliminate duplicates Z: 9 3.885 1.666 0.245 0.529 1.000 0.750 CB 0.644 9 residues pruned to eliminate duplicates Z: 9 12.346 1.902 0.423 0.789 1.000 0.750 CB 1.251 9 residues pruned to eliminate duplicates Z: 8 4.007 1.341 0.800 0.329 0.714 0.429 C 1.060 Z: 28 17.607 1.945 0.680 0.423 0.926 0.519 CB 1.213 28 residues pruned to eliminate duplicates Z: 22 19.851 1.828 0.340 0.925 1.000 0.952 CB 1.242 22 residues pruned to eliminate duplicates Z: 8 7.290 1.592 0.226 0.784 1.000 0.714 CB 1.100 8 residues pruned to eliminate duplicates Z: 15 15.526 1.759 0.476 0.918 1.000 0.786 CB 1.127 15 residues pruned to eliminate duplicates Z: 48 30.168 2.189 0.640 0.429 0.957 0.511 CB 1.378 48 residues pruned to eliminate duplicates Z: 9 9.987 1.568 0.676 0.671 1.000 0.750 CB 1.147 10 residues pruned to eliminate duplicates Z: 10 19.532 1.747 0.851 0.893 1.000 0.889 CA 1.445 9 residues pruned to eliminate duplicates Z: 18 8.644 1.772 0.490 0.555 0.706 0.412 CB 1.066 18 residues pruned to eliminate duplicates Z: 10 9.123 1.792 0.992 0.884 0.889 0.778 CB 0.692 10 residues pruned to eliminate duplicates Z: 23 49.924 2.152 1.233 0.898 1.000 0.727 CB 1.585 23 residues pruned to eliminate duplicates Z: 38 20.732 2.042 0.477 0.433 0.892 0.514 CB 1.358 38 residues pruned to eliminate duplicates Z: 7 4.223 1.741 0.472 0.392 0.667 0.500 CB 1.132 5 residues pruned to eliminate duplicates Z: 15 25.199 1.927 0.535 0.906 1.000 0.857 CB 1.618 15 residues pruned to eliminate duplicates Z: 6 5.775 1.579 0.662 0.381 0.800 0.400 O 1.396 Z: 39 23.552 1.974 0.432 0.607 0.921 0.658 CB 1.325 35 residues pruned to eliminate duplicates Z: 8 7.192 1.870 -0.042 0.703 1.000 0.857 CB 1.261 8 residues pruned to eliminate duplicates Z: 9 3.674 1.448 0.506 0.379 0.625 0.625 O 1.084 9 residues pruned to eliminate duplicates Z: 10 4.970 1.502 0.407 0.395 0.778 0.556 CB 1.126 10 residues pruned to eliminate duplicates Z: 15 15.212 1.720 0.272 0.857 1.000 0.786 O 1.368 15 residues pruned to eliminate duplicates Z: 21 13.543 1.955 0.695 0.395 0.750 0.550 CB 1.361 21 residues pruned to eliminate duplicates Z: 9 12.456 1.779 0.735 0.728 0.750 0.500 CA 1.549 9 residues pruned to eliminate duplicates Z: 12 21.562 1.817 0.747 0.923 1.000 0.636 CB 1.438 12 residues pruned to eliminate duplicates Z: 9 3.767 1.573 0.467 0.304 0.750 0.375 CB 0.958 Z: 39 27.774 2.023 0.558 0.586 0.921 0.605 CB 1.430 39 residues pruned to eliminate duplicates Z: 14 6.422 1.479 0.413 0.445 0.923 0.385 CB 0.978 7 residues pruned to eliminate duplicates Z: 10 3.558 1.596 0.205 0.295 0.778 0.444 CB 0.997 Z: 21 16.204 2.002 0.503 0.514 0.900 0.450 CB 1.320 22 residues pruned to eliminate duplicates Z: 18 27.332 1.978 1.094 0.778 0.941 0.529 CB 1.331 19 residues pruned to eliminate duplicates Z: 6 5.498 1.405 0.956 0.459 1.000 0.400 CB 0.933 Z: 10 6.151 1.797 0.299 0.456 0.889 0.556 CB 1.034 10 residues pruned to eliminate duplicates Z: 22 8.909 1.874 0.470 0.228 0.857 0.476 CB 1.132 22 residues pruned to eliminate duplicates Z: 7 6.008 1.620 0.559 0.452 0.833 0.667 CB 1.223 7 residues pruned to eliminate duplicates Z: 28 16.378 2.021 0.691 0.395 0.889 0.519 CB 1.159 28 residues pruned to eliminate duplicates Z: 62 30.200 2.179 0.594 0.434 0.852 0.590 CB 1.398 62 residues pruned to eliminate duplicates Z: 9 17.018 1.981 0.808 0.886 0.875 0.875 CB 1.385 9 residues pruned to eliminate duplicates Z: 42 39.757 2.288 0.475 0.778 0.902 0.756 CB 1.596 42 residues pruned to eliminate duplicates 9 1.904 1.651 -0.122 0.169 0.625 0.125 CB 1.110 ? Z: 23 8.567 1.741 0.174 0.402 0.818 0.636 CB 1.210 23 residues pruned to eliminate duplicates Z: 53 27.317 2.088 0.635 0.494 0.846 0.596 CB 1.320 51 residues pruned to eliminate duplicates Z: 13 13.277 1.837 0.427 0.883 0.833 0.833 CA 1.268 13 residues pruned to eliminate duplicates Z: 7 2.311 1.495 0.751 0.245 0.500 0.500 N 0.967 Z: 9 7.415 1.708 0.432 0.453 0.875 0.625 CB 1.286 6 residues pruned to eliminate duplicates Z: 14 13.977 1.936 -0.025 0.902 1.000 0.769 CB 1.464 14 residues pruned to eliminate duplicates Z: 11 15.549 1.794 0.432 0.809 1.000 0.800 CB 1.462 Z: 8 9.842 1.600 0.732 0.528 1.000 0.571 CB 1.305 8 residues pruned to eliminate duplicates Z: 7 5.729 1.608 0.979 0.812 1.000 0.500 CB 0.560 Z: 8 5.869 1.791 0.561 0.387 0.857 0.571 CB 1.044 Z: 24 17.956 1.787 0.798 0.650 0.826 0.348 CB 1.227 24 residues pruned to eliminate duplicates Z: 15 13.070 1.688 0.581 0.934 1.000 0.929 CB 0.913 15 residues pruned to eliminate duplicates Z: 27 51.099 2.256 1.014 0.919 1.000 0.654 CB 1.554 27 residues pruned to eliminate duplicates Z: 6 2.832 1.510 -0.109 0.476 1.000 0.600 CA 0.964 6 residues pruned to eliminate duplicates Z: 39 33.705 2.014 0.911 0.799 0.895 0.447 CB 1.222 52 residues pruned to eliminate duplicates Z: 16 17.583 2.000 0.630 0.590 0.867 0.600 CB 1.474 16 residues pruned to eliminate duplicates Z: 11 8.898 1.732 0.547 0.572 0.900 0.600 CB 1.088 11 residues pruned to eliminate duplicates Z: 29 29.302 2.146 0.835 0.524 0.893 0.536 CB 1.538 29 residues pruned to eliminate duplicates Z: 25 21.184 1.862 0.797 0.696 0.875 0.500 CB 1.235 25 residues pruned to eliminate duplicates Z: 16 20.825 2.022 0.613 0.906 1.000 0.667 CB 1.173 16 residues pruned to eliminate duplicates Z: 20 12.237 1.782 0.413 0.652 0.842 0.737 CB 1.150 27 residues pruned to eliminate duplicates Z: 18 15.514 1.955 0.650 0.518 0.882 0.529 CB 1.299 20 residues pruned to eliminate duplicates Z: 16 13.580 1.676 0.407 0.885 1.000 0.800 CB 1.073 16 residues pruned to eliminate duplicates Z: 9 8.886 1.637 0.392 0.846 1.000 0.750 CB 1.025 9 residues pruned to eliminate duplicates Z: 31 13.268 1.781 0.405 0.433 0.867 0.433 CB 1.197 31 residues pruned to eliminate duplicates Z: 7 5.481 1.787 0.101 0.620 0.833 0.667 CA 1.218 7 residues pruned to eliminate duplicates Z: 19 19.212 1.970 0.396 0.729 0.944 0.778 CB 1.418 19 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 15 4.871 1.633 0.545 0.269 0.786 0.357 CB 0.855 15 residues pruned to eliminate duplicates Z: 10 4.915 1.827 0.379 0.330 0.778 0.444 CB 1.008 10 residues pruned to eliminate duplicates Z: 9 7.244 1.889 0.771 0.470 0.875 0.500 CB 0.902 9 residues pruned to eliminate duplicates Z: 9 5.373 1.837 0.846 0.487 0.625 0.375 CB 0.909 9 residues pruned to eliminate duplicates Z: 17 8.983 1.844 0.629 0.484 0.812 0.438 CB 0.936 11 residues pruned to eliminate duplicates Z: 6 3.182 1.335 0.362 0.389 1.000 0.600 CA 0.881 Z: 7 4.045 1.637 0.283 0.791 1.000 0.833 CB 0.609 Z: 7 3.147 1.667 0.017 0.553 0.833 0.500 CB 0.864 7 residues pruned to eliminate duplicates Z: 9 3.290 1.762 0.123 0.442 0.625 0.125 CB 0.998 9 residues pruned to eliminate duplicates Z: 14 6.987 1.642 0.194 0.501 0.923 0.308 CB 1.070 14 residues pruned to eliminate duplicates Z: 6 3.052 1.723 0.271 0.474 1.000 0.400 CB 0.640 6 residues pruned to eliminate duplicates Z: 12 5.020 1.670 0.296 0.282 0.909 0.364 CB 0.984 12 residues pruned to eliminate duplicates Z: 13 4.810 1.765 0.322 0.315 0.833 0.500 CB 0.876 13 residues pruned to eliminate duplicates Z: 11 5.794 1.815 0.100 0.406 0.900 0.500 CB 1.126 11 residues pruned to eliminate duplicates Z: 8 4.069 1.905 -0.030 0.465 0.714 0.286 CB 1.206 8 residues pruned to eliminate duplicates Z: 8 2.972 1.986 -0.016 0.453 0.571 0.571 CB 1.055 8 residues pruned to eliminate duplicates Z: 6 6.491 1.941 0.213 0.597 1.000 0.800 CB 1.124 6 residues pruned to eliminate duplicates Z: 7 8.926 1.865 0.289 0.671 1.000 0.667 CB 1.295 7 residues pruned to eliminate duplicates Z: 7 9.167 1.778 0.302 0.769 1.000 0.500 CB 1.274 7 residues pruned to eliminate duplicates Z: 8 11.865 1.812 0.445 0.814 1.000 0.857 CA 1.303 7 residues pruned to eliminate duplicates Z: 8 8.868 1.802 0.447 0.828 0.857 0.714 CB 1.130 8 residues pruned to eliminate duplicates Z: 6 3.761 1.457 0.241 0.422 1.000 0.200 N 1.008 6 residues pruned to eliminate duplicates Z: 18 7.358 1.721 0.151 0.479 0.765 0.647 CB 1.204 23 residues pruned to eliminate duplicates Z: 9 6.102 1.699 0.359 0.609 0.750 0.625 CB 1.123 9 residues pruned to eliminate duplicates Z: 17 9.199 1.743 0.196 0.478 0.938 0.625 CB 1.203 17 residues pruned to eliminate duplicates Z: 10 7.816 1.765 0.253 0.637 0.889 0.778 CB 1.165 9 residues pruned to eliminate duplicates Z: 9 7.598 1.653 0.374 0.815 0.875 0.750 CB 1.028 9 residues pruned to eliminate duplicates Z: 8 7.237 1.697 0.480 0.665 0.857 0.857 CB 1.091 8 residues pruned to eliminate duplicates Z: 9 5.719 1.675 0.143 0.630 1.000 0.625 CB 0.935 9 residues pruned to eliminate duplicates Z: 19 10.289 1.761 0.423 0.482 0.944 0.611 CB 1.044 19 residues pruned to eliminate duplicates Z: 7 9.048 1.776 0.663 0.772 1.000 0.500 CB 0.984 8 residues pruned to eliminate duplicates Z: 7 4.819 1.610 0.273 0.412 1.000 0.667 CB 1.052 8 residues pruned to eliminate duplicates Z: 6 3.782 1.532 0.704 0.570 1.000 0.400 CB 0.606 6 residues pruned to eliminate duplicates Z: 15 9.485 1.781 0.503 0.408 0.929 0.643 CB 1.124 17 residues pruned to eliminate duplicates Z: 14 20.325 1.844 0.591 0.873 0.923 0.692 CB 1.516 14 residues pruned to eliminate duplicates Z: 14 25.839 1.970 0.597 0.919 1.000 0.923 N 1.605 14 residues pruned to eliminate duplicates Z: 18 17.925 1.808 0.537 0.731 0.941 0.765 CB 1.351 18 residues pruned to eliminate duplicates Z: 15 23.077 1.948 0.538 0.886 0.929 0.643 CA 1.600 15 residues pruned to eliminate duplicates Z: 15 25.130 1.961 0.643 0.865 1.000 0.786 CB 1.526 15 residues pruned to eliminate duplicates Z: 14 25.643 1.917 0.789 0.889 0.923 0.769 CB 1.618 14 residues pruned to eliminate duplicates Z: 16 23.473 1.869 0.624 0.809 1.000 0.733 CA 1.526 16 residues pruned to eliminate duplicates Z: 15 26.754 1.919 0.705 0.920 1.000 0.786 CB 1.539 15 residues pruned to eliminate duplicates Z: 15 28.270 1.943 0.780 0.915 1.000 0.643 CA 1.544 15 residues pruned to eliminate duplicates Z: 15 31.169 1.962 0.814 0.925 1.000 0.571 CB 1.643 15 residues pruned to eliminate duplicates Z: 14 28.705 1.936 0.831 0.936 1.000 0.846 CB 1.564 14 residues pruned to eliminate duplicates Z: 15 21.908 1.852 0.732 0.838 0.929 0.786 CB 1.469 15 residues pruned to eliminate duplicates Z: 15 27.403 1.933 0.719 0.920 1.000 0.571 CB 1.553 15 residues pruned to eliminate duplicates Z: 13 11.655 1.621 0.270 0.803 1.000 0.833 CB 1.254 13 residues pruned to eliminate duplicates Z: 14 7.491 1.577 0.281 0.580 0.923 0.692 CB 1.032 14 residues pruned to eliminate duplicates Z: 16 7.931 1.539 0.258 0.452 1.000 0.600 CB 1.110 18 residues pruned to eliminate duplicates Z: 12 14.841 1.635 0.664 0.880 1.000 0.818 CB 1.192 13 residues pruned to eliminate duplicates Z: 13 13.428 1.524 0.454 0.862 1.000 0.833 CA 1.285 13 residues pruned to eliminate duplicates Z: 15 9.550 1.533 0.438 0.689 0.857 0.786 CB 1.136 15 residues pruned to eliminate duplicates Z: 20 11.965 1.631 0.388 0.668 0.895 0.737 CB 1.161 20 residues pruned to eliminate duplicates Z: 21 8.564 1.515 0.316 0.628 0.850 0.650 CB 1.001 21 residues pruned to eliminate duplicates Z: 20 13.001 1.640 0.397 0.699 0.895 0.579 CB 1.214 20 residues pruned to eliminate duplicates Z: 21 7.510 1.522 0.133 0.539 0.850 0.500 CB 1.103 21 residues pruned to eliminate duplicates Z: 8 4.027 1.487 0.444 0.626 0.714 0.571 CB 0.881 7 residues pruned to eliminate duplicates Z: 13 12.356 1.520 0.485 0.862 1.000 0.667 CB 1.160 13 residues pruned to eliminate duplicates Z: 11 25.019 2.237 0.707 0.768 1.000 0.600 CA 1.634 11 residues pruned to eliminate duplicates Z: 30 25.095 2.141 0.641 0.482 0.862 0.483 CB 1.567 30 residues pruned to eliminate duplicates Z: 30 22.216 2.113 0.579 0.489 0.862 0.552 CB 1.450 30 residues pruned to eliminate duplicates Z: 29 20.437 2.104 0.695 0.464 0.750 0.500 CB 1.498 29 residues pruned to eliminate duplicates Z: 28 30.955 2.188 0.701 0.571 0.889 0.556 CB 1.681 35 residues pruned to eliminate duplicates Z: 9 25.236 2.175 1.181 0.813 0.875 0.500 CA 1.636 9 residues pruned to eliminate duplicates Z: 30 25.286 2.123 0.671 0.488 0.931 0.483 CB 1.439 30 residues pruned to eliminate duplicates Z: 30 23.470 2.096 0.636 0.490 0.862 0.483 CB 1.489 30 residues pruned to eliminate duplicates Z: 27 31.573 2.157 0.900 0.519 0.923 0.538 CB 1.607 28 residues pruned to eliminate duplicates Z: 13 19.809 2.048 0.863 0.611 0.917 0.333 CB 1.471 13 residues pruned to eliminate duplicates Z: 29 26.283 2.156 0.565 0.545 0.929 0.429 CB 1.517 29 residues pruned to eliminate duplicates Z: 33 22.753 2.080 0.743 0.509 0.812 0.469 CB 1.354 33 residues pruned to eliminate duplicates Z: 17 17.482 2.097 0.520 0.522 1.000 0.500 CB 1.341 17 residues pruned to eliminate duplicates Z: 17 17.364 2.094 0.655 0.456 0.938 0.562 CB 1.397 17 residues pruned to eliminate duplicates Z: 18 13.626 2.057 0.657 0.440 0.765 0.529 CB 1.349 18 residues pruned to eliminate duplicates Z: 28 26.452 2.108 0.702 0.529 0.926 0.481 CB 1.489 28 residues pruned to eliminate duplicates Z: 17 17.601 2.067 0.642 0.458 0.938 0.625 CB 1.444 17 residues pruned to eliminate duplicates Z: 21 14.354 2.023 0.499 0.410 0.850 0.450 CB 1.369 21 residues pruned to eliminate duplicates Z: 28 26.326 2.221 0.704 0.482 0.889 0.519 CB 1.533 28 residues pruned to eliminate duplicates Z: 31 20.715 2.026 0.487 0.544 0.867 0.667 CB 1.388 31 residues pruned to eliminate duplicates Z: 39 24.598 1.967 0.682 0.539 0.842 0.632 CB 1.378 40 residues pruned to eliminate duplicates Z: 14 12.237 1.866 0.161 0.836 0.923 0.692 CB 1.270 14 residues pruned to eliminate duplicates Z: 26 20.494 2.062 0.682 0.522 0.880 0.640 CB 1.314 26 residues pruned to eliminate duplicates Z: 41 20.248 2.056 0.674 0.474 0.775 0.500 CB 1.233 41 residues pruned to eliminate duplicates Z: 8 12.984 2.170 0.207 0.811 0.857 0.429 CB 1.667 8 residues pruned to eliminate duplicates Z: 37 25.880 2.106 0.684 0.511 0.833 0.472 CB 1.444 37 residues pruned to eliminate duplicates Z: 12 10.857 1.855 0.676 0.546 0.727 0.455 CB 1.385 12 residues pruned to eliminate duplicates Z: 25 19.622 2.098 0.504 0.533 0.917 0.625 CB 1.340 25 residues pruned to eliminate duplicates Z: 10 14.222 1.963 0.601 0.634 0.889 0.333 CB 1.496 10 residues pruned to eliminate duplicates Z: 27 11.748 1.825 0.518 0.393 0.731 0.346 CB 1.274 27 residues pruned to eliminate duplicates Z: 27 18.690 2.073 0.579 0.508 0.808 0.577 CB 1.376 27 residues pruned to eliminate duplicates Z: 16 18.115 2.011 0.876 0.656 0.867 0.533 CB 1.238 16 residues pruned to eliminate duplicates Z: 25 21.523 2.130 0.634 0.541 0.875 0.667 CB 1.386 26 residues pruned to eliminate duplicates Z: 23 26.281 1.839 0.671 0.818 0.955 0.773 CA 1.450 23 residues pruned to eliminate duplicates Z: 40 21.958 2.081 0.686 0.458 0.795 0.538 CB 1.316 40 residues pruned to eliminate duplicates Z: 24 21.238 2.146 0.881 0.578 0.870 0.348 CB 1.170 24 residues pruned to eliminate duplicates Z: 27 21.410 2.086 0.812 0.514 0.846 0.538 CB 1.295 27 residues pruned to eliminate duplicates Z: 18 17.281 2.078 0.791 0.458 0.882 0.706 CB 1.332 18 residues pruned to eliminate duplicates Z: 26 23.303 2.154 0.628 0.543 0.920 0.640 CB 1.385 26 residues pruned to eliminate duplicates Z: 26 20.055 2.081 0.582 0.539 0.880 0.640 CB 1.333 26 residues pruned to eliminate duplicates Z: 16 17.994 2.192 0.794 0.510 0.933 0.600 CB 1.253 16 residues pruned to eliminate duplicates Z: 26 18.096 2.083 0.467 0.561 0.880 0.600 CB 1.269 26 residues pruned to eliminate duplicates Z: 9 13.664 2.106 0.782 0.462 1.000 0.625 CB 1.338 9 residues pruned to eliminate duplicates Z: 11 10.777 1.989 0.552 0.427 0.800 0.700 CB 1.489 11 residues pruned to eliminate duplicates Z: 27 16.080 2.052 0.441 0.504 0.885 0.654 CB 1.200 27 residues pruned to eliminate duplicates Z: 28 19.144 1.965 0.816 0.507 0.815 0.407 CB 1.258 28 residues pruned to eliminate duplicates Z: 15 13.169 1.762 0.440 0.683 0.929 0.357 CB 1.263 13 residues pruned to eliminate duplicates Z: 12 12.754 1.826 0.243 0.843 0.909 0.727 CB 1.388 12 residues pruned to eliminate duplicates Z: 12 13.947 1.858 0.441 0.783 0.909 0.455 CB 1.347 12 residues pruned to eliminate duplicates Z: 11 8.309 1.735 0.224 0.482 0.900 0.500 CA 1.401 11 residues pruned to eliminate duplicates Z: 13 11.463 1.722 0.296 0.730 0.833 0.417 CB 1.447 13 residues pruned to eliminate duplicates Z: 15 12.111 1.747 0.342 0.693 0.857 0.571 CB 1.350 15 residues pruned to eliminate duplicates Z: 13 15.129 1.804 0.404 0.818 0.917 0.500 CB 1.427 14 residues pruned to eliminate duplicates Z: 11 12.019 1.900 0.396 0.838 0.700 0.600 CB 1.530 11 residues pruned to eliminate duplicates Z: 17 15.199 1.692 0.512 0.765 1.000 0.562 CB 1.174 14 residues pruned to eliminate duplicates Z: 12 16.271 1.714 0.487 0.917 1.000 0.545 CB 1.359 12 residues pruned to eliminate duplicates Z: 19 14.009 1.609 0.510 0.674 0.944 0.722 CB 1.226 19 residues pruned to eliminate duplicates Z: 15 14.039 1.767 0.587 0.815 0.857 0.429 CB 1.187 15 residues pruned to eliminate duplicates Z: 27 14.711 1.994 0.336 0.436 0.808 0.462 CB 1.432 27 residues pruned to eliminate duplicates Z: 17 16.774 2.109 0.444 0.490 0.875 0.750 CB 1.589 17 residues pruned to eliminate duplicates Z: 13 10.535 2.032 0.326 0.418 0.750 0.333 CB 1.639 10 residues pruned to eliminate duplicates Z: 13 19.498 1.850 0.604 0.703 1.000 0.500 CB 1.577 13 residues pruned to eliminate duplicates Z: 31 19.885 1.907 0.455 0.489 0.933 0.533 CB 1.417 31 residues pruned to eliminate duplicates Z: 33 13.043 1.793 0.294 0.436 0.812 0.469 CB 1.307 33 residues pruned to eliminate duplicates Z: 28 17.386 1.968 0.425 0.442 0.852 0.444 CB 1.487 30 residues pruned to eliminate duplicates Z: 8 14.811 1.884 0.814 0.861 0.857 0.571 N 1.404 8 residues pruned to eliminate duplicates Z: 31 17.853 1.882 0.582 0.518 0.867 0.567 CB 1.241 31 residues pruned to eliminate duplicates Z: 27 18.988 2.017 0.614 0.522 0.846 0.385 CB 1.322 27 residues pruned to eliminate duplicates Z: 28 21.760 1.936 0.691 0.511 0.926 0.444 CB 1.367 29 residues pruned to eliminate duplicates Z: 9 16.607 1.988 0.635 0.651 1.000 0.750 N 1.569 9 residues pruned to eliminate duplicates Z: 30 16.935 1.885 0.452 0.509 0.862 0.379 CB 1.320 30 residues pruned to eliminate duplicates Z: 29 15.441 1.975 0.523 0.468 0.786 0.286 CB 1.276 29 residues pruned to eliminate duplicates Z: 13 9.755 1.884 0.568 0.543 0.833 0.500 CB 1.097 13 residues pruned to eliminate duplicates Z: 28 19.371 2.000 0.700 0.474 0.852 0.481 CB 1.322 28 residues pruned to eliminate duplicates Z: 17 11.810 1.825 0.584 0.449 0.812 0.562 CB 1.325 17 residues pruned to eliminate duplicates Z: 14 9.485 1.812 0.329 0.593 0.923 0.538 CB 1.083 14 residues pruned to eliminate duplicates Z: 18 11.786 1.774 0.576 0.467 0.882 0.588 CB 1.198 18 residues pruned to eliminate duplicates Z: 18 11.009 1.781 0.526 0.411 0.882 0.529 CB 1.223 18 residues pruned to eliminate duplicates Z: 16 9.782 1.851 0.468 0.443 0.800 0.533 CB 1.231 16 residues pruned to eliminate duplicates Z: 30 20.758 1.967 0.581 0.497 0.931 0.414 CB 1.336 28 residues pruned to eliminate duplicates Z: 9 11.113 1.687 0.289 0.794 1.000 0.750 CA 1.396 11 residues pruned to eliminate duplicates Z: 7 7.688 1.744 0.168 0.691 1.000 0.500 CB 1.293 7 residues pruned to eliminate duplicates Z: 27 19.446 1.965 0.493 0.555 0.885 0.577 CB 1.393 27 residues pruned to eliminate duplicates Z: 17 12.165 1.817 0.508 0.501 0.875 0.500 CB 1.267 17 residues pruned to eliminate duplicates Z: 41 34.260 2.009 0.474 0.781 0.950 0.775 CB 1.503 41 residues pruned to eliminate duplicates Z: 11 13.709 2.010 0.084 0.888 1.000 0.800 CB 1.433 11 residues pruned to eliminate duplicates Z: 10 17.641 2.036 0.400 0.913 1.000 0.778 CB 1.459 11 residues pruned to eliminate duplicates Z: 10 21.120 2.019 0.646 0.901 1.000 0.889 CB 1.511 10 residues pruned to eliminate duplicates Z: 10 19.793 1.998 0.531 0.901 1.000 0.889 CA 1.539 10 residues pruned to eliminate duplicates Z: 10 18.287 1.943 0.870 0.813 0.889 0.556 CA 1.437 10 residues pruned to eliminate duplicates Z: 34 40.498 2.092 0.676 0.826 0.970 0.758 CB 1.563 34 residues pruned to eliminate duplicates Z: 11 17.715 1.874 0.646 0.825 1.000 0.700 CB 1.371 11 residues pruned to eliminate duplicates Z: 33 41.806 2.134 0.654 0.834 1.000 0.812 CB 1.570 33 residues pruned to eliminate duplicates Z: 40 36.743 2.031 0.722 0.738 0.974 0.667 CB 1.394 34 residues pruned to eliminate duplicates Z: 29 33.404 1.973 0.716 0.839 0.964 0.714 CB 1.445 29 residues pruned to eliminate duplicates Z: 43 37.322 1.962 0.751 0.768 0.929 0.595 CB 1.424 43 residues pruned to eliminate duplicates Z: 36 35.878 2.064 0.598 0.777 0.971 0.771 CB 1.482 36 residues pruned to eliminate duplicates Z: 43 30.774 2.054 0.448 0.745 0.952 0.810 CB 1.346 43 residues pruned to eliminate duplicates Z: 39 43.008 2.084 0.642 0.832 0.974 0.763 CB 1.572 39 residues pruned to eliminate duplicates Z: 40 32.863 2.011 0.533 0.733 0.949 0.692 CB 1.460 40 residues pruned to eliminate duplicates Z: 35 39.631 2.094 0.681 0.815 0.971 0.706 CB 1.513 35 residues pruned to eliminate duplicates Z: 34 38.024 2.116 0.596 0.809 0.970 0.697 CB 1.544 40 residues pruned to eliminate duplicates Z: 25 32.030 2.028 0.578 0.837 1.000 0.542 CB 1.527 25 residues pruned to eliminate duplicates Z: 34 40.053 2.082 0.689 0.837 0.970 0.485 CB 1.530 34 residues pruned to eliminate duplicates Z: 40 42.659 2.039 0.739 0.819 0.949 0.615 CB 1.539 40 residues pruned to eliminate duplicates Z: 24 30.439 2.026 0.645 0.868 0.913 0.565 CB 1.525 24 residues pruned to eliminate duplicates Z: 34 36.972 2.045 0.836 0.799 0.909 0.606 CB 1.452 34 residues pruned to eliminate duplicates Z: 36 38.964 2.038 0.750 0.809 0.943 0.343 CB 1.496 36 residues pruned to eliminate duplicates Z: 46 29.208 1.933 0.641 0.681 0.911 0.444 CB 1.276 46 residues pruned to eliminate duplicates Z: 38 40.075 2.071 0.822 0.814 0.919 0.459 CB 1.445 38 residues pruned to eliminate duplicates Z: 39 35.996 1.928 0.749 0.813 0.921 0.447 CB 1.432 39 residues pruned to eliminate duplicates Z: 48 37.860 1.976 0.770 0.748 0.915 0.489 CB 1.383 48 residues pruned to eliminate duplicates Z: 45 39.508 2.049 0.664 0.807 0.955 0.545 CB 1.399 45 residues pruned to eliminate duplicates Z: 48 36.938 1.960 0.788 0.736 0.915 0.468 CB 1.359 48 residues pruned to eliminate duplicates Z: 39 38.684 2.038 0.755 0.820 0.947 0.526 CB 1.403 39 residues pruned to eliminate duplicates Z: 32 35.307 2.027 0.939 0.785 0.871 0.355 CB 1.441 32 residues pruned to eliminate duplicates Z: 48 39.790 1.994 0.744 0.786 0.957 0.553 CB 1.356 47 residues pruned to eliminate duplicates Z: 9 14.598 1.824 0.605 0.848 0.875 0.875 CB 1.495 9 residues pruned to eliminate duplicates Z: 43 40.730 2.010 0.878 0.771 0.976 0.548 CB 1.342 43 residues pruned to eliminate duplicates Z: 34 35.203 2.029 0.804 0.823 0.909 0.364 CB 1.393 34 residues pruned to eliminate duplicates Z: 40 41.483 1.994 0.934 0.796 0.923 0.538 CB 1.440 40 residues pruned to eliminate duplicates Z: 20 13.940 1.845 0.392 0.680 0.789 0.579 CB 1.336 20 residues pruned to eliminate duplicates 7 1.404 1.737 0.231 0.298 0.667 0.167 CB 0.504 ? Z: 19 14.676 1.832 0.392 0.638 0.833 0.667 CA 1.430 19 residues pruned to eliminate duplicates Z: 14 7.392 1.800 0.378 0.465 0.769 0.692 CB 1.113 14 residues pruned to eliminate duplicates Z: 24 16.194 1.810 0.401 0.581 0.913 0.652 CB 1.349 24 residues pruned to eliminate duplicates Z: 26 12.185 1.756 0.365 0.533 0.840 0.600 CB 1.172 26 residues pruned to eliminate duplicates Z: 20 17.963 1.911 0.472 0.714 0.947 0.737 CB 1.274 17 residues pruned to eliminate duplicates Z: 19 18.379 1.710 0.529 0.839 0.889 0.778 CA 1.392 19 residues pruned to eliminate duplicates Z: 24 16.682 1.833 0.365 0.649 0.957 0.696 CB 1.265 24 residues pruned to eliminate duplicates Z: 21 19.352 1.880 0.506 0.706 0.950 0.650 CB 1.335 21 residues pruned to eliminate duplicates Z: 19 17.658 1.934 0.503 0.686 0.889 0.722 CB 1.357 19 residues pruned to eliminate duplicates Z: 21 15.947 1.895 0.620 0.667 0.850 0.700 CB 1.171 21 residues pruned to eliminate duplicates Z: 17 15.031 1.974 0.402 0.635 0.812 0.625 CB 1.472 17 residues pruned to eliminate duplicates Z: 20 16.355 1.823 0.587 0.697 0.947 0.421 CB 1.143 20 residues pruned to eliminate duplicates Z: 20 16.251 1.837 0.650 0.658 0.842 0.474 CB 1.262 20 residues pruned to eliminate duplicates Z: 21 18.184 1.820 0.766 0.685 0.900 0.450 CB 1.187 21 residues pruned to eliminate duplicates Z: 21 14.686 1.767 0.636 0.610 0.850 0.450 CB 1.204 21 residues pruned to eliminate duplicates Z: 21 20.434 1.901 0.713 0.735 0.850 0.650 CB 1.336 21 residues pruned to eliminate duplicates Z: 11 12.671 1.728 0.390 0.834 1.000 0.600 CB 1.250 11 residues pruned to eliminate duplicates Z: 12 13.175 1.730 0.506 0.800 0.909 0.636 CB 1.290 12 residues pruned to eliminate duplicates Z: 12 13.619 1.701 0.555 0.828 0.909 0.818 CB 1.286 12 residues pruned to eliminate duplicates Z: 13 13.991 1.682 0.646 0.901 1.000 0.833 CB 1.041 13 residues pruned to eliminate duplicates Z: 12 15.444 1.694 0.629 0.799 0.909 0.636 CB 1.429 12 residues pruned to eliminate duplicates Z: 12 16.000 1.761 0.582 0.813 0.909 0.727 CB 1.450 12 residues pruned to eliminate duplicates Z: 12 14.711 1.743 0.535 0.831 0.909 0.636 CB 1.370 12 residues pruned to eliminate duplicates Z: 12 14.377 1.739 0.536 0.838 0.909 0.818 CB 1.335 12 residues pruned to eliminate duplicates Z: 13 11.528 1.661 0.706 0.716 0.750 0.583 CB 1.288 13 residues pruned to eliminate duplicates Z: 12 16.255 1.786 0.514 0.876 1.000 0.636 CB 1.318 12 residues pruned to eliminate duplicates Z: 17 13.953 1.656 0.441 0.852 0.938 0.875 CB 1.153 17 residues pruned to eliminate duplicates Z: 13 9.948 1.578 0.490 0.606 0.917 0.500 CB 1.204 13 residues pruned to eliminate duplicates Z: 17 12.878 1.681 0.319 0.788 0.938 0.688 CB 1.203 17 residues pruned to eliminate duplicates Z: 17 14.666 1.693 0.401 0.797 0.938 0.688 CB 1.272 16 residues pruned to eliminate duplicates Z: 20 17.692 1.715 0.469 0.864 1.000 0.474 CB 1.182 20 residues pruned to eliminate duplicates Z: 17 10.037 1.688 0.127 0.809 0.938 0.625 CB 1.075 17 residues pruned to eliminate duplicates Z: 20 14.404 1.706 0.525 0.680 0.947 0.632 CB 1.136 20 residues pruned to eliminate duplicates Z: 19 18.139 1.698 0.538 0.859 1.000 0.611 CB 1.205 19 residues pruned to eliminate duplicates Z: 13 11.306 1.775 0.416 0.839 1.000 0.917 CB 0.969 13 residues pruned to eliminate duplicates Z: 16 13.992 1.750 0.367 0.926 1.000 0.867 CB 1.060 16 residues pruned to eliminate duplicates Z: 17 11.862 1.696 0.469 0.799 0.938 0.688 CB 0.977 17 residues pruned to eliminate duplicates Z: 20 15.075 1.680 0.547 0.818 1.000 0.737 CB 1.009 20 residues pruned to eliminate duplicates Z: 18 12.565 1.691 0.608 0.805 0.824 0.235 CB 1.042 18 residues pruned to eliminate duplicates Z: 19 13.469 1.670 0.490 0.794 0.889 0.333 CB 1.109 19 residues pruned to eliminate duplicates Z: 19 14.469 1.708 0.727 0.829 0.833 0.500 CB 1.044 19 residues pruned to eliminate duplicates Z: 17 15.783 1.735 0.544 0.816 1.000 0.438 CB 1.119 17 residues pruned to eliminate duplicates Z: 22 20.610 1.667 0.697 0.878 1.000 0.714 CB 1.154 22 residues pruned to eliminate duplicates Z: 18 17.660 1.699 0.873 0.861 0.882 0.647 CB 1.121 18 residues pruned to eliminate duplicates Z: 18 15.178 1.660 0.775 0.854 0.882 0.294 CB 1.045 18 residues pruned to eliminate duplicates Z: 12 10.654 1.702 0.601 0.763 0.909 0.455 CB 1.027 12 residues pruned to eliminate duplicates Z: 13 7.249 1.805 0.415 0.429 0.750 0.500 CB 1.176 13 residues pruned to eliminate duplicates Z: 16 7.043 1.752 0.226 0.412 0.867 0.533 CB 1.071 16 residues pruned to eliminate duplicates Z: 19 7.730 1.666 0.360 0.345 0.889 0.556 CB 1.070 19 residues pruned to eliminate duplicates Z: 16 25.855 2.108 0.484 0.742 1.000 0.467 CA 1.718 16 residues pruned to eliminate duplicates Z: 27 22.556 2.132 0.351 0.653 0.923 0.731 CB 1.443 27 residues pruned to eliminate duplicates Z: 29 23.427 2.083 0.379 0.627 0.964 0.750 CB 1.418 29 residues pruned to eliminate duplicates Z: 28 24.587 2.065 0.525 0.620 0.963 0.667 CB 1.393 28 residues pruned to eliminate duplicates Z: 29 24.903 2.055 0.474 0.644 0.964 0.679 CB 1.408 29 residues pruned to eliminate duplicates Z: 40 25.400 1.987 0.477 0.583 0.949 0.564 CB 1.350 40 residues pruned to eliminate duplicates Z: 14 25.115 2.032 0.625 0.866 1.000 0.692 CB 1.544 14 residues pruned to eliminate duplicates Z: 28 25.267 2.044 0.567 0.611 0.926 0.778 CB 1.476 28 residues pruned to eliminate duplicates Z: 38 24.994 2.011 0.485 0.584 0.892 0.649 CB 1.424 38 residues pruned to eliminate duplicates Z: 12 30.830 2.205 0.807 0.912 0.909 0.818 N 1.817 12 residues pruned to eliminate duplicates Z: 39 22.364 1.980 0.463 0.537 0.868 0.500 CB 1.391 39 residues pruned to eliminate duplicates Z: 14 26.848 2.096 0.535 0.845 1.000 0.615 CB 1.721 14 residues pruned to eliminate duplicates Z: 30 24.069 2.035 0.521 0.609 0.931 0.552 CB 1.399 30 residues pruned to eliminate duplicates Z: 34 23.090 2.038 0.451 0.575 0.939 0.545 CB 1.347 34 residues pruned to eliminate duplicates Z: 39 22.553 2.003 0.463 0.523 0.895 0.447 CB 1.364 39 residues pruned to eliminate duplicates Z: 34 24.851 2.013 0.456 0.626 0.939 0.606 CB 1.395 34 residues pruned to eliminate duplicates Z: 31 18.254 1.979 0.335 0.570 0.867 0.600 CB 1.360 31 residues pruned to eliminate duplicates Z: 36 21.537 1.944 0.467 0.571 0.914 0.629 CB 1.304 36 residues pruned to eliminate duplicates Z: 29 24.808 2.067 0.431 0.645 0.964 0.750 CB 1.436 29 residues pruned to eliminate duplicates Z: 28 21.968 2.052 0.357 0.609 0.963 0.741 CB 1.421 28 residues pruned to eliminate duplicates Z: 11 10.843 1.836 0.520 0.605 1.000 0.700 CB 1.112 11 residues pruned to eliminate duplicates Z: 47 29.853 1.940 0.481 0.652 0.935 0.674 CB 1.422 46 residues pruned to eliminate duplicates Z: 17 24.029 1.876 0.609 0.784 1.000 0.750 CB 1.549 17 residues pruned to eliminate duplicates Z: 37 30.395 1.936 0.635 0.682 0.944 0.639 CB 1.433 37 residues pruned to eliminate duplicates Z: 19 30.027 2.007 0.735 0.831 0.944 0.722 CB 1.617 19 residues pruned to eliminate duplicates Z: 26 29.100 1.933 0.602 0.746 0.960 0.560 CB 1.571 26 residues pruned to eliminate duplicates Z: 66 33.905 1.951 0.470 0.635 0.908 0.615 CB 1.423 66 residues pruned to eliminate duplicates Z: 26 26.723 1.919 0.677 0.763 0.920 0.640 CB 1.429 26 residues pruned to eliminate duplicates Z: 39 27.076 1.906 0.544 0.659 0.921 0.658 CB 1.397 39 residues pruned to eliminate duplicates Z: 17 23.324 1.905 0.667 0.762 0.938 0.688 CB 1.552 17 residues pruned to eliminate duplicates Z: 36 29.290 1.962 0.484 0.722 0.971 0.743 CB 1.432 36 residues pruned to eliminate duplicates Z: 15 28.175 1.935 0.942 0.787 1.000 0.857 CA 1.557 15 residues pruned to eliminate duplicates Z: 27 25.843 1.898 0.653 0.739 0.923 0.654 CB 1.413 27 residues pruned to eliminate duplicates Z: 25 28.979 1.963 0.552 0.800 0.958 0.750 CB 1.558 25 residues pruned to eliminate duplicates Z: 25 30.718 1.969 0.633 0.830 1.000 0.833 CB 1.466 25 residues pruned to eliminate duplicates Z: 28 25.699 1.885 0.536 0.743 0.926 0.667 CB 1.484 28 residues pruned to eliminate duplicates Z: 26 27.093 1.954 0.495 0.793 0.920 0.680 CB 1.559 26 residues pruned to eliminate duplicates Z: 55 34.095 1.944 0.482 0.696 0.981 0.667 CB 1.373 55 residues pruned to eliminate duplicates Z: 26 29.670 1.927 0.741 0.783 0.920 0.720 CB 1.498 26 residues pruned to eliminate duplicates Z: 26 30.248 1.925 0.743 0.803 0.960 0.640 CB 1.441 26 residues pruned to eliminate duplicates Z: 55 37.551 2.003 0.594 0.695 0.889 0.593 CB 1.507 55 residues pruned to eliminate duplicates Z: 57 36.534 1.982 0.582 0.680 0.911 0.643 CB 1.449 57 residues pruned to eliminate duplicates Z: 33 27.706 1.883 0.622 0.704 1.000 0.531 CB 1.332 33 residues pruned to eliminate duplicates Z: 67 33.135 1.953 0.560 0.633 0.864 0.591 CB 1.368 67 residues pruned to eliminate duplicates Z: 37 29.993 1.988 0.608 0.694 0.917 0.639 CB 1.429 37 residues pruned to eliminate duplicates Z: 36 31.438 1.983 0.656 0.684 1.000 0.600 CB 1.367 36 residues pruned to eliminate duplicates Z: 37 33.966 1.956 0.732 0.694 0.972 0.556 CB 1.439 37 residues pruned to eliminate duplicates Z: 38 24.907 1.915 0.559 0.635 0.892 0.541 CB 1.355 38 residues pruned to eliminate duplicates Z: 13 9.634 1.959 0.426 0.549 0.917 0.500 CB 1.035 13 residues pruned to eliminate duplicates Z: 10 11.249 2.033 0.470 0.651 1.000 0.444 CB 1.090 10 residues pruned to eliminate duplicates Z: 51 34.239 2.013 0.576 0.711 0.920 0.580 CB 1.370 51 residues pruned to eliminate duplicates Z: 29 21.781 1.934 0.793 0.632 0.857 0.536 CB 1.224 29 residues pruned to eliminate duplicates Z: 34 30.764 1.963 0.729 0.674 0.970 0.576 CB 1.386 34 residues pruned to eliminate duplicates Z: 13 15.486 1.997 0.792 0.615 1.000 0.750 CB 1.120 13 residues pruned to eliminate duplicates Z: 15 11.708 1.956 0.551 0.487 0.857 0.571 CB 1.220 15 residues pruned to eliminate duplicates Z: 36 30.495 1.997 0.725 0.761 0.914 0.514 CB 1.298 36 residues pruned to eliminate duplicates Z: 55 30.627 1.949 0.542 0.689 0.907 0.537 CB 1.285 55 residues pruned to eliminate duplicates Z: 56 31.121 1.937 0.593 0.662 0.891 0.582 CB 1.314 56 residues pruned to eliminate duplicates Z: 33 21.419 1.960 0.526 0.544 0.969 0.688 CB 1.252 33 residues pruned to eliminate duplicates Z: 35 18.035 1.884 0.322 0.527 0.971 0.676 CB 1.247 35 residues pruned to eliminate duplicates Z: 21 18.322 1.920 0.434 0.636 0.950 0.650 CB 1.379 21 residues pruned to eliminate duplicates Z: 18 16.989 2.009 0.201 0.702 0.941 0.824 CB 1.510 18 residues pruned to eliminate duplicates Z: 18 18.885 2.037 0.302 0.702 0.941 0.882 CB 1.527 18 residues pruned to eliminate duplicates Z: 31 15.248 1.939 0.313 0.537 0.867 0.700 CB 1.216 31 residues pruned to eliminate duplicates Z: 33 18.805 1.970 0.427 0.597 0.875 0.656 CB 1.232 33 residues pruned to eliminate duplicates Z: 19 17.160 1.915 0.346 0.672 1.000 0.778 CB 1.338 19 residues pruned to eliminate duplicates Z: 18 21.176 2.022 0.376 0.763 0.941 0.706 CB 1.554 18 residues pruned to eliminate duplicates Z: 20 15.227 1.864 0.334 0.638 0.895 0.737 CB 1.379 20 residues pruned to eliminate duplicates Z: 23 17.615 1.880 0.443 0.584 0.955 0.727 CB 1.338 23 residues pruned to eliminate duplicates Z: 34 21.539 1.930 0.441 0.598 0.939 0.697 CB 1.306 16 residues pruned to eliminate duplicates Z: 15 17.811 1.948 0.340 0.873 0.929 0.714 CB 1.431 15 residues pruned to eliminate duplicates Z: 37 20.261 1.883 0.455 0.576 0.917 0.639 CB 1.249 37 residues pruned to eliminate duplicates Z: 20 18.701 1.932 0.494 0.642 0.947 0.789 CB 1.375 20 residues pruned to eliminate duplicates Z: 20 23.392 1.942 0.601 0.658 0.947 0.684 CB 1.574 20 residues pruned to eliminate duplicates Z: 24 18.676 1.913 0.479 0.609 0.870 0.609 CB 1.427 24 residues pruned to eliminate duplicates Z: 20 19.780 1.915 0.552 0.646 0.947 0.684 CB 1.406 20 residues pruned to eliminate duplicates Z: 28 26.297 2.026 0.432 0.678 1.000 0.778 CB 1.480 28 residues pruned to eliminate duplicates Z: 28 24.495 2.011 0.394 0.679 0.963 0.704 CB 1.481 28 residues pruned to eliminate duplicates Z: 26 27.687 2.090 0.446 0.719 1.000 0.800 CB 1.503 26 residues pruned to eliminate duplicates Z: 18 27.616 2.126 0.659 0.731 0.941 0.647 CB 1.640 18 residues pruned to eliminate duplicates Z: 25 26.384 2.040 0.769 0.660 0.917 0.625 CB 1.403 25 residues pruned to eliminate duplicates Z: 28 26.057 2.022 0.488 0.704 0.963 0.741 CB 1.438 28 residues pruned to eliminate duplicates Z: 27 24.077 2.079 0.501 0.671 0.885 0.692 CB 1.462 27 residues pruned to eliminate duplicates Z: 26 28.872 2.068 0.563 0.692 1.000 0.880 CB 1.498 26 residues pruned to eliminate duplicates Z: 27 26.370 1.958 0.589 0.634 0.962 0.654 CA 1.524 27 residues pruned to eliminate duplicates Z: 27 25.932 2.026 0.537 0.652 0.962 0.538 CB 1.474 27 residues pruned to eliminate duplicates Z: 16 28.560 2.154 0.608 0.801 0.933 0.800 CA 1.753 16 residues pruned to eliminate duplicates Z: 25 26.607 2.076 0.514 0.703 0.958 0.667 CB 1.500 25 residues pruned to eliminate duplicates Z: 25 25.995 2.084 0.510 0.715 0.958 0.792 CB 1.449 25 residues pruned to eliminate duplicates Z: 28 25.289 2.031 0.519 0.636 0.963 0.778 CB 1.441 28 residues pruned to eliminate duplicates Z: 17 29.086 2.101 0.622 0.799 0.938 0.812 CB 1.753 17 residues pruned to eliminate duplicates Z: 25 31.062 2.106 0.628 0.720 1.000 0.875 CB 1.516 25 residues pruned to eliminate duplicates Z: 6 4.692 1.356 0.665 0.545 1.000 0.200 CA 0.889 6 residues pruned to eliminate duplicates Z: 26 32.068 2.084 0.689 0.751 0.960 0.720 CB 1.518 28 residues pruned to eliminate duplicates Z: 6 8.770 1.685 0.460 0.649 1.000 0.800 CA 1.388 6 residues pruned to eliminate duplicates Z: 28 24.354 2.044 0.417 0.689 0.926 0.704 CB 1.469 28 residues pruned to eliminate duplicates Z: 26 30.361 2.069 0.640 0.740 0.960 0.600 CB 1.503 26 residues pruned to eliminate duplicates Z: 41 28.775 2.048 0.521 0.655 0.875 0.650 CB 1.445 41 residues pruned to eliminate duplicates Z: 15 27.391 2.002 0.836 0.793 1.000 0.786 CB 1.540 15 residues pruned to eliminate duplicates Z: 13 24.076 2.165 0.701 0.769 0.917 0.667 CB 1.622 13 residues pruned to eliminate duplicates Z: 35 29.622 2.256 0.569 0.601 0.941 0.529 CB 1.384 35 residues pruned to eliminate duplicates Z: 16 19.327 2.045 0.773 0.626 0.867 0.400 CB 1.410 16 residues pruned to eliminate duplicates Z: 91 39.713 2.146 0.582 0.538 0.889 0.533 CB 1.337 91 residues pruned to eliminate duplicates Z: 21 11.977 1.884 0.341 0.524 0.750 0.400 CB 1.380 21 residues pruned to eliminate duplicates Z: 15 17.752 1.973 0.574 0.613 0.929 0.429 CB 1.479 15 residues pruned to eliminate duplicates Z: 64 31.980 2.196 0.548 0.470 0.889 0.556 CB 1.375 64 residues pruned to eliminate duplicates Z: 13 19.087 2.129 0.730 0.783 0.833 0.500 CB 1.399 13 residues pruned to eliminate duplicates Z: 14 12.998 2.014 0.616 0.604 0.769 0.385 CB 1.304 14 residues pruned to eliminate duplicates Z: 62 34.716 2.216 0.606 0.464 0.885 0.557 CB 1.464 62 residues pruned to eliminate duplicates Z: 37 29.268 2.191 0.642 0.594 0.861 0.472 CB 1.440 37 residues pruned to eliminate duplicates Z: 90 41.365 2.115 0.590 0.518 0.899 0.472 CB 1.424 90 residues pruned to eliminate duplicates Z: 54 25.795 2.187 0.485 0.467 0.830 0.491 CB 1.359 54 residues pruned to eliminate duplicates Z: 46 37.572 2.257 0.716 0.550 0.933 0.533 CB 1.475 46 residues pruned to eliminate duplicates Z: 52 27.760 2.211 0.557 0.441 0.882 0.549 CB 1.359 52 residues pruned to eliminate duplicates Z: 47 31.334 2.185 0.669 0.534 0.870 0.457 CB 1.409 47 residues pruned to eliminate duplicates Z: 29 28.178 2.184 0.924 0.628 0.786 0.464 CB 1.430 29 residues pruned to eliminate duplicates Z: 54 25.999 2.169 0.530 0.437 0.792 0.377 CB 1.449 54 residues pruned to eliminate duplicates Z: 24 18.472 2.154 0.512 0.511 0.870 0.565 CB 1.345 24 residues pruned to eliminate duplicates Z: 48 33.259 2.196 0.714 0.543 0.872 0.489 CB 1.417 48 residues pruned to eliminate duplicates Z: 58 28.656 2.146 0.534 0.425 0.842 0.474 CB 1.480 58 residues pruned to eliminate duplicates Z: 45 33.482 2.234 0.776 0.539 0.841 0.432 CB 1.457 45 residues pruned to eliminate duplicates Z: 35 30.904 2.242 0.833 0.537 0.824 0.441 CB 1.510 35 residues pruned to eliminate duplicates Z: 31 26.670 2.223 0.768 0.503 0.867 0.400 CB 1.425 31 residues pruned to eliminate duplicates Z: 61 25.201 2.076 0.632 0.402 0.833 0.483 CB 1.278 61 residues pruned to eliminate duplicates Z: 66 28.239 2.146 0.584 0.427 0.800 0.477 CB 1.389 66 residues pruned to eliminate duplicates Z: 49 32.789 2.184 0.691 0.550 0.854 0.417 CB 1.429 49 residues pruned to eliminate duplicates Z: 60 30.595 2.176 0.540 0.458 0.898 0.542 CB 1.380 60 residues pruned to eliminate duplicates Z: 30 25.798 2.257 0.659 0.530 0.793 0.310 CB 1.566 30 residues pruned to eliminate duplicates Z: 36 15.570 2.153 0.568 0.303 0.771 0.343 CB 1.259 36 residues pruned to eliminate duplicates Z: 63 33.528 2.158 0.735 0.438 0.855 0.548 CB 1.418 63 residues pruned to eliminate duplicates Z: 46 30.592 2.150 0.732 0.513 0.822 0.511 CB 1.471 46 residues pruned to eliminate duplicates Z: 62 37.254 2.231 0.699 0.453 0.869 0.541 CB 1.519 62 residues pruned to eliminate duplicates Z: 62 37.496 2.214 0.661 0.479 0.918 0.541 CB 1.453 62 residues pruned to eliminate duplicates Z: 61 35.436 2.206 0.651 0.452 0.883 0.550 CB 1.494 61 residues pruned to eliminate duplicates Z: 22 14.349 2.170 0.417 0.308 0.905 0.238 CB 1.393 22 residues pruned to eliminate duplicates Z: 91 41.475 2.123 0.611 0.518 0.889 0.522 CB 1.412 90 residues pruned to eliminate duplicates Z: 9 6.869 1.390 0.673 0.578 0.875 0.500 N 1.107 9 residues pruned to eliminate duplicates Z: 70 45.731 2.203 0.599 0.632 0.870 0.638 CB 1.588 70 residues pruned to eliminate duplicates Z: 62 33.911 2.203 0.639 0.476 0.869 0.459 CB 1.418 62 residues pruned to eliminate duplicates Z: 46 28.169 2.248 0.566 0.423 0.889 0.622 CB 1.454 46 residues pruned to eliminate duplicates Z: 30 29.551 2.287 0.775 0.488 0.862 0.621 CB 1.587 30 residues pruned to eliminate duplicates Z: 52 29.644 2.230 0.568 0.406 0.902 0.510 CB 1.453 52 residues pruned to eliminate duplicates Z: 64 30.146 2.154 0.558 0.425 0.905 0.476 CB 1.352 64 residues pruned to eliminate duplicates Z: 63 32.740 2.179 0.631 0.446 0.887 0.484 CB 1.395 63 residues pruned to eliminate duplicates Z: 48 20.559 2.063 0.444 0.369 0.872 0.532 CB 1.328 48 residues pruned to eliminate duplicates Z: 39 20.653 2.133 0.592 0.344 0.895 0.500 CB 1.306 39 residues pruned to eliminate duplicates Z: 61 35.368 2.209 0.656 0.456 0.867 0.533 CB 1.506 61 residues pruned to eliminate duplicates Z: 37 22.169 2.141 0.638 0.364 0.889 0.583 CB 1.372 37 residues pruned to eliminate duplicates Z: 102 48.268 2.164 0.592 0.537 0.881 0.594 CB 1.525 102 residues pruned to eliminate duplicates Z: 97 51.482 2.192 0.620 0.561 0.917 0.656 CB 1.521 97 residues pruned to eliminate duplicates Z: 53 33.368 2.235 0.702 0.421 0.923 0.500 CB 1.430 53 residues pruned to eliminate duplicates Z: 54 30.308 2.184 0.676 0.396 0.906 0.528 CB 1.401 54 residues pruned to eliminate duplicates Z: 47 25.959 2.191 0.549 0.399 0.891 0.500 CB 1.408 47 residues pruned to eliminate duplicates Z: 64 35.944 2.213 0.587 0.474 0.905 0.524 CB 1.462 64 residues pruned to eliminate duplicates Z: 49 27.490 2.187 0.566 0.403 0.896 0.562 CB 1.432 49 residues pruned to eliminate duplicates Z: 46 32.248 2.259 0.654 0.435 0.911 0.600 CB 1.510 46 residues pruned to eliminate duplicates Z: 62 35.626 2.219 0.736 0.480 0.852 0.557 CB 1.418 62 residues pruned to eliminate duplicates Z: 106 53.439 2.164 0.661 0.556 0.905 0.610 CB 1.519 106 residues pruned to eliminate duplicates Z: 63 35.709 2.184 0.640 0.433 0.887 0.532 CB 1.530 63 residues pruned to eliminate duplicates Z: 63 37.455 2.189 0.622 0.442 0.935 0.597 CB 1.521 63 residues pruned to eliminate duplicates Z: 106 55.266 2.231 0.686 0.570 0.886 0.667 CB 1.514 106 residues pruned to eliminate duplicates Z: 104 53.713 2.226 0.573 0.579 0.893 0.650 CB 1.568 104 residues pruned to eliminate duplicates Z: 104 50.743 2.168 0.579 0.542 0.903 0.641 CB 1.552 104 residues pruned to eliminate duplicates Z: 83 59.625 2.275 0.700 0.642 0.927 0.659 CB 1.609 83 residues pruned to eliminate duplicates Z: 84 52.674 2.219 0.608 0.638 0.904 0.627 CB 1.575 84 residues pruned to eliminate duplicates Z: 88 55.451 2.256 0.724 0.645 0.862 0.621 CB 1.549 88 residues pruned to eliminate duplicates Z: 47 44.196 2.186 0.659 0.764 0.913 0.674 CB 1.557 47 residues pruned to eliminate duplicates Z: 74 52.320 2.235 0.726 0.598 0.890 0.699 CB 1.623 74 residues pruned to eliminate duplicates Z: 82 44.581 2.185 0.575 0.579 0.864 0.679 CB 1.542 101 residues pruned to eliminate duplicates Z: 12 34.826 2.295 0.864 0.904 1.000 1.000 CB 1.749 11 residues pruned to eliminate duplicates Z: 13 31.214 2.228 1.243 0.744 1.000 0.583 CB 1.450 14 residues pruned to eliminate duplicates Z: 42 54.475 2.281 0.733 0.869 0.951 0.780 CB 1.652 42 residues pruned to eliminate duplicates Z: 75 53.661 2.287 0.723 0.629 0.878 0.635 CB 1.596 33 residues pruned to eliminate duplicates Z: 30 39.252 2.190 0.495 0.920 1.000 0.897 CA 1.567 30 residues pruned to eliminate duplicates Z: 47 48.783 2.203 0.843 0.727 0.870 0.739 CB 1.660 47 residues pruned to eliminate duplicates Z: 34 49.921 2.341 0.796 0.769 0.970 0.818 CA 1.680 34 residues pruned to eliminate duplicates Z: 87 58.828 2.267 0.781 0.641 0.895 0.605 CB 1.538 87 residues pruned to eliminate duplicates Z: 39 43.899 2.214 0.784 0.718 0.895 0.789 CB 1.654 39 residues pruned to eliminate duplicates Z: 86 57.344 2.235 0.724 0.636 0.882 0.671 CB 1.611 93 residues pruned to eliminate duplicates Z: 31 40.452 2.218 0.458 0.935 1.000 0.933 CA 1.592 31 residues pruned to eliminate duplicates Z: 48 40.216 2.212 0.609 0.681 0.872 0.702 CB 1.600 48 residues pruned to eliminate duplicates Z: 43 50.930 2.231 0.812 0.763 0.952 0.714 CB 1.616 43 residues pruned to eliminate duplicates Z: 55 47.438 2.150 0.723 0.729 0.926 0.759 CB 1.531 55 residues pruned to eliminate duplicates Z: 67 57.598 2.339 0.759 0.659 0.894 0.682 CB 1.663 67 residues pruned to eliminate duplicates Z: 43 51.739 2.284 0.647 0.783 0.952 0.786 CA 1.737 43 residues pruned to eliminate duplicates Z: 69 49.047 2.292 0.767 0.563 0.897 0.676 CB 1.540 69 residues pruned to eliminate duplicates Z: 84 50.004 2.201 0.701 0.587 0.880 0.578 CB 1.533 84 residues pruned to eliminate duplicates Z: 73 58.117 2.295 0.801 0.663 0.917 0.653 CB 1.555 73 residues pruned to eliminate duplicates Z: 57 60.882 2.250 0.897 0.749 0.946 0.696 CB 1.612 57 residues pruned to eliminate duplicates Z: 40 39.408 2.176 0.676 0.756 0.872 0.667 CB 1.580 40 residues pruned to eliminate duplicates Z: 85 55.031 2.246 0.720 0.617 0.881 0.607 CB 1.579 85 residues pruned to eliminate duplicates Z: 41 59.067 2.308 0.975 0.812 0.950 0.775 CB 1.644 41 residues pruned to eliminate duplicates Z: 88 61.899 2.263 0.897 0.626 0.885 0.609 CB 1.551 88 residues pruned to eliminate duplicates Z: 85 53.300 2.194 0.825 0.605 0.893 0.536 CB 1.472 85 residues pruned to eliminate duplicates Z: 42 49.135 2.261 0.946 0.784 0.878 0.659 CB 1.547 42 residues pruned to eliminate duplicates Z: 63 51.117 2.188 0.911 0.667 0.855 0.468 CB 1.556 48 residues pruned to eliminate duplicates Z: 30 46.945 2.232 0.881 0.932 0.966 0.483 CB 1.502 30 residues pruned to eliminate duplicates Z: 42 55.386 2.267 0.994 0.768 0.976 0.610 CB 1.548 42 residues pruned to eliminate duplicates Z: 43 44.820 2.179 0.979 0.692 0.905 0.524 CB 1.487 43 residues pruned to eliminate duplicates Z: 67 58.246 2.239 0.930 0.676 0.939 0.485 CB 1.502 67 residues pruned to eliminate duplicates Z: 56 69.588 2.249 1.135 0.773 0.982 0.564 CB 1.564 56 residues pruned to eliminate duplicates Z: 65 59.234 2.232 1.012 0.703 0.938 0.516 CB 1.463 64 residues pruned to eliminate duplicates Z: 16 22.444 1.978 0.696 0.747 0.933 0.667 CB 1.484 17 residues pruned to eliminate duplicates Z: 15 26.226 2.089 0.926 0.775 0.857 0.786 CB 1.594 15 residues pruned to eliminate duplicates Z: 19 20.025 2.053 0.982 0.586 0.833 0.389 CB 1.282 19 residues pruned to eliminate duplicates Z: 15 29.084 2.159 1.030 0.713 0.929 0.714 CB 1.575 15 residues pruned to eliminate duplicates Z: 15 23.215 2.135 0.856 0.719 0.857 0.643 CB 1.499 15 residues pruned to eliminate duplicates Z: 50 43.630 2.160 0.824 0.729 0.878 0.510 CB 1.466 51 residues pruned to eliminate duplicates Z: 16 26.739 1.974 1.019 0.793 0.933 0.667 CB 1.436 15 residues pruned to eliminate duplicates Z: 14 35.055 2.167 0.989 0.894 1.000 0.615 CA 1.618 14 residues pruned to eliminate duplicates Z: 107 63.607 2.241 0.849 0.615 0.915 0.585 CB 1.461 107 residues pruned to eliminate duplicates Z: 52 45.195 2.162 1.007 0.630 0.863 0.529 CB 1.497 52 residues pruned to eliminate duplicates Z: 44 24.909 2.144 0.548 0.428 0.860 0.558 CB 1.433 15 residues pruned to eliminate duplicates Z: 14 31.969 2.217 0.967 0.862 0.923 0.692 CB 1.617 14 residues pruned to eliminate duplicates Z: 38 23.350 1.805 0.444 0.733 0.919 0.757 CB 1.300 35 residues pruned to eliminate duplicates Z: 24 17.267 1.744 0.240 0.887 1.000 0.826 CB 1.200 24 residues pruned to eliminate duplicates Z: 33 18.035 1.775 0.449 0.673 0.906 0.500 CB 1.167 33 residues pruned to eliminate duplicates Z: 37 20.932 1.776 0.419 0.696 0.944 0.611 CB 1.225 37 residues pruned to eliminate duplicates Z: 37 20.974 1.773 0.443 0.707 0.944 0.583 CB 1.198 37 residues pruned to eliminate duplicates Z: 38 26.808 1.815 0.594 0.698 0.973 0.514 CB 1.306 38 residues pruned to eliminate duplicates Z: 15 12.589 1.856 0.298 0.877 0.929 0.643 CB 1.092 15 residues pruned to eliminate duplicates Z: 19 18.920 1.879 0.520 0.788 0.944 0.389 CB 1.284 19 residues pruned to eliminate duplicates Z: 20 20.623 1.831 0.531 0.833 1.000 0.474 CB 1.266 20 residues pruned to eliminate duplicates Z: 31 21.884 1.812 0.548 0.724 0.933 0.533 CB 1.248 31 residues pruned to eliminate duplicates Z: 19 19.165 1.875 0.563 0.845 0.944 0.556 CB 1.213 19 residues pruned to eliminate duplicates Z: 36 22.566 1.813 0.496 0.722 0.943 0.457 CB 1.221 36 residues pruned to eliminate duplicates Z: 30 17.761 1.799 0.356 0.723 0.931 0.414 CB 1.187 30 residues pruned to eliminate duplicates Z: 36 23.046 1.834 0.537 0.737 0.914 0.486 CB 1.223 36 residues pruned to eliminate duplicates Z: 32 18.521 1.819 0.413 0.715 0.968 0.710 CB 1.101 32 residues pruned to eliminate duplicates Z: 35 22.027 1.824 0.513 0.739 0.971 0.441 CB 1.139 35 residues pruned to eliminate duplicates Z: 30 20.364 1.829 0.661 0.756 0.862 0.483 CB 1.149 30 residues pruned to eliminate duplicates Z: 36 22.804 1.840 0.564 0.763 0.914 0.686 CB 1.160 36 residues pruned to eliminate duplicates Z: 32 19.636 1.799 0.515 0.725 0.935 0.419 CB 1.130 32 residues pruned to eliminate duplicates Z: 38 21.520 1.772 0.639 0.676 0.973 0.486 CB 1.065 38 residues pruned to eliminate duplicates Z: 22 11.502 1.757 0.475 0.583 0.857 0.429 CB 1.043 22 residues pruned to eliminate duplicates Z: 39 21.303 1.802 0.566 0.685 0.895 0.579 CB 1.156 39 residues pruned to eliminate duplicates Z: 36 24.884 1.835 0.517 0.750 0.943 0.657 CB 1.282 36 residues pruned to eliminate duplicates Z: 6 2.141 1.381 0.186 0.201 1.000 0.400 CB 0.834 6 residues pruned to eliminate duplicates Z: 19 11.688 1.715 0.497 0.514 0.889 0.611 CB 1.190 19 residues pruned to eliminate duplicates Z: 32 22.664 1.842 0.569 0.724 0.935 0.548 CB 1.230 32 residues pruned to eliminate duplicates Z: 31 21.708 1.781 0.521 0.730 0.967 0.600 CB 1.230 31 residues pruned to eliminate duplicates Z: 34 18.565 1.817 0.380 0.652 0.909 0.545 CB 1.230 34 residues pruned to eliminate duplicates Z: 39 20.978 1.799 0.582 0.699 0.868 0.447 CB 1.148 39 residues pruned to eliminate duplicates Z: 12 7.299 1.733 0.518 0.477 0.818 0.727 CB 1.046 12 residues pruned to eliminate duplicates Z: 23 14.537 1.784 0.576 0.603 0.818 0.545 CB 1.222 23 residues pruned to eliminate duplicates Z: 14 8.357 1.692 0.455 0.449 0.769 0.615 CB 1.290 14 residues pruned to eliminate duplicates Z: 37 20.452 1.802 0.519 0.702 0.889 0.583 CB 1.166 37 residues pruned to eliminate duplicates Z: 34 17.155 1.808 0.430 0.663 0.848 0.606 CB 1.171 34 residues pruned to eliminate duplicates Z: 15 9.149 1.741 0.613 0.418 0.786 0.500 CB 1.207 14 residues pruned to eliminate duplicates Z: 29 48.642 2.153 0.881 0.925 1.000 0.786 CA 1.593 29 residues pruned to eliminate duplicates Z: 42 58.055 2.275 1.206 0.708 0.927 0.537 CB 1.614 42 residues pruned to eliminate duplicates Z: 56 52.668 2.209 0.848 0.727 0.964 0.636 CB 1.472 56 residues pruned to eliminate duplicates Z: 45 70.193 2.274 1.218 0.800 1.000 0.705 CB 1.614 45 residues pruned to eliminate duplicates Z: 56 50.905 2.170 0.933 0.709 0.927 0.600 CB 1.459 56 residues pruned to eliminate duplicates Z: 38 51.663 2.268 1.220 0.738 0.919 0.568 CB 1.483 38 residues pruned to eliminate duplicates Z: 75 55.851 2.207 0.803 0.620 0.919 0.595 CB 1.585 45 residues pruned to eliminate duplicates Z: 29 49.243 2.225 0.874 0.907 1.000 0.821 CA 1.586 29 residues pruned to eliminate duplicates Z: 39 63.730 2.313 1.271 0.777 1.000 0.658 CB 1.541 39 residues pruned to eliminate duplicates Z: 44 68.440 2.286 1.220 0.806 0.977 0.721 CB 1.612 44 residues pruned to eliminate duplicates Z: 51 54.671 2.228 1.035 0.701 0.940 0.540 CB 1.511 51 residues pruned to eliminate duplicates Z: 58 62.486 2.240 1.014 0.729 0.965 0.509 CB 1.547 58 residues pruned to eliminate duplicates Z: 46 60.640 2.219 1.199 0.771 0.956 0.489 CB 1.526 46 residues pruned to eliminate duplicates Z: 51 62.773 2.202 1.162 0.758 0.980 0.520 CB 1.512 51 residues pruned to eliminate duplicates Z: 30 53.348 2.211 1.247 0.838 0.966 0.552 CB 1.544 30 residues pruned to eliminate duplicates Z: 46 55.709 2.223 1.098 0.751 0.956 0.378 CB 1.490 46 residues pruned to eliminate duplicates Z: 57 54.558 2.192 0.983 0.717 0.946 0.500 CB 1.457 57 residues pruned to eliminate duplicates Z: 74 54.417 2.217 0.848 0.619 0.918 0.534 CB 1.514 73 residues pruned to eliminate duplicates Z: 16 24.641 2.030 0.573 0.871 0.933 0.733 CA 1.557 16 residues pruned to eliminate duplicates Z: 56 56.508 2.213 0.995 0.725 0.964 0.491 CB 1.463 56 residues pruned to eliminate duplicates Z: 58 61.661 2.167 1.024 0.782 0.965 0.614 CB 1.505 58 residues pruned to eliminate duplicates Z: 34 19.239 2.095 0.330 0.364 0.879 0.424 CB 1.582 34 residues pruned to eliminate duplicates Z: 56 57.161 2.193 1.029 0.727 0.945 0.509 CB 1.493 56 residues pruned to eliminate duplicates Z: 75 60.541 2.229 0.939 0.621 0.946 0.473 CB 1.535 76 residues pruned to eliminate duplicates Z: 15 10.177 1.615 0.286 0.754 0.929 0.857 CA 1.124 15 residues pruned to eliminate duplicates Z: 10 5.626 1.931 0.005 0.453 1.000 0.556 CB 1.014 10 residues pruned to eliminate duplicates Z: 75 52.055 2.183 0.742 0.598 0.919 0.662 CB 1.578 75 residues pruned to eliminate duplicates Z: 30 19.627 2.159 0.387 0.345 0.931 0.448 CB 1.547 28 residues pruned to eliminate duplicates Z: 10 10.835 1.822 0.126 0.874 1.000 0.889 CB 1.281 10 residues pruned to eliminate duplicates Z: 28 20.907 2.192 0.371 0.377 0.926 0.481 CB 1.650 30 residues pruned to eliminate duplicates Z: 10 8.791 1.814 0.235 0.567 0.778 0.444 CB 1.575 10 residues pruned to eliminate duplicates Z: 40 28.515 2.050 0.514 0.555 0.872 0.436 CB 1.599 40 residues pruned to eliminate duplicates Z: 72 48.616 2.202 0.816 0.611 0.859 0.352 CB 1.511 72 residues pruned to eliminate duplicates Z: 27 20.768 2.180 0.429 0.406 0.846 0.615 CB 1.706 27 residues pruned to eliminate duplicates Z: 74 57.588 2.184 1.059 0.616 0.904 0.438 CB 1.485 74 residues pruned to eliminate duplicates Z: 24 18.186 2.111 0.590 0.337 0.957 0.609 CB 1.411 24 residues pruned to eliminate duplicates Z: 58 52.825 2.289 0.887 0.581 0.965 0.684 CB 1.553 21 residues pruned to eliminate duplicates Z: 7 9.254 1.951 0.337 0.533 1.000 1.000 CA 1.401 7 residues pruned to eliminate duplicates Z: 40 21.136 2.144 0.420 0.462 0.872 0.615 CB 1.326 40 residues pruned to eliminate duplicates Z: 26 13.363 2.167 0.466 0.306 0.800 0.480 CB 1.304 26 residues pruned to eliminate duplicates Z: 35 22.223 2.169 0.542 0.451 0.882 0.529 CB 1.358 35 residues pruned to eliminate duplicates Z: 41 21.510 2.117 0.461 0.431 0.875 0.375 CB 1.350 41 residues pruned to eliminate duplicates Z: 20 18.346 2.172 0.600 0.297 0.895 0.474 CB 1.698 20 residues pruned to eliminate duplicates Z: 36 25.102 2.281 0.565 0.387 0.886 0.514 CB 1.513 36 residues pruned to eliminate duplicates Z: 43 28.199 2.219 0.783 0.427 0.833 0.476 CB 1.424 43 residues pruned to eliminate duplicates Z: 43 24.291 2.153 0.578 0.447 0.881 0.548 CB 1.323 43 residues pruned to eliminate duplicates Z: 55 27.034 2.033 0.599 0.498 0.870 0.407 CB 1.303 55 residues pruned to eliminate duplicates Z: 25 14.744 2.218 0.340 0.323 0.875 0.500 CB 1.407 25 residues pruned to eliminate duplicates Z: 24 15.102 2.191 0.662 0.322 0.783 0.348 CB 1.344 24 residues pruned to eliminate duplicates Z: 41 20.951 2.092 0.384 0.387 0.925 0.525 CB 1.394 41 residues pruned to eliminate duplicates Z: 40 20.206 2.107 0.388 0.413 0.923 0.538 CB 1.312 40 residues pruned to eliminate duplicates Z: 84 56.159 2.216 0.790 0.573 0.904 0.554 CB 1.603 77 residues pruned to eliminate duplicates Z: 8 8.685 1.887 0.552 0.650 0.857 0.286 CA 1.137 8 residues pruned to eliminate duplicates Z: 44 54.822 2.325 0.983 0.721 0.884 0.698 CB 1.681 44 residues pruned to eliminate duplicates Z: 11 11.271 2.292 0.511 0.361 0.700 0.600 CA 1.709 11 residues pruned to eliminate duplicates Z: 21 23.004 2.315 0.622 0.566 0.850 0.700 CB 1.512 21 residues pruned to eliminate duplicates Z: 40 47.844 2.311 0.762 0.771 0.923 0.795 CB 1.603 40 residues pruned to eliminate duplicates Z: 46 48.413 2.218 0.802 0.763 0.933 0.800 CA 1.533 46 residues pruned to eliminate duplicates Z: 39 52.025 2.275 1.077 0.731 0.974 0.763 CB 1.491 39 residues pruned to eliminate duplicates Z: 44 65.341 2.287 1.060 0.796 0.977 0.814 CA 1.670 44 residues pruned to eliminate duplicates Z: 44 66.910 2.259 1.241 0.807 0.953 0.698 CB 1.616 44 residues pruned to eliminate duplicates Z: 48 60.842 2.235 1.104 0.770 0.936 0.660 CB 1.587 48 residues pruned to eliminate duplicates Z: 47 68.895 2.252 1.151 0.785 0.978 0.652 CB 1.668 47 residues pruned to eliminate duplicates Z: 47 53.806 2.209 1.018 0.746 0.935 0.630 CB 1.529 47 residues pruned to eliminate duplicates Z: 54 48.806 2.176 0.924 0.678 0.925 0.642 CB 1.470 54 residues pruned to eliminate duplicates Z: 43 62.893 2.291 1.197 0.787 0.929 0.619 CB 1.614 43 residues pruned to eliminate duplicates Z: 38 60.790 2.322 1.199 0.780 1.000 0.622 CB 1.529 38 residues pruned to eliminate duplicates Z: 44 65.163 2.282 1.078 0.806 0.977 0.721 CB 1.643 44 residues pruned to eliminate duplicates Z: 42 49.599 2.282 0.974 0.721 0.951 0.634 CB 1.481 42 residues pruned to eliminate duplicates Z: 44 51.650 2.205 1.076 0.683 0.977 0.581 CB 1.489 44 residues pruned to eliminate duplicates Z: 13 8.904 1.998 0.220 0.456 0.833 0.417 CB 1.323 13 residues pruned to eliminate duplicates Z: 13 9.639 2.042 0.250 0.504 0.833 0.667 CB 1.302 13 residues pruned to eliminate duplicates Z: 8 7.876 2.125 0.005 0.635 0.857 0.714 CB 1.433 8 residues pruned to eliminate duplicates Z: 31 21.323 2.109 0.652 0.485 0.867 0.700 CB 1.309 31 residues pruned to eliminate duplicates Z: 37 24.208 2.186 0.635 0.503 0.861 0.583 CB 1.306 37 residues pruned to eliminate duplicates Z: 32 22.588 2.182 0.738 0.460 0.871 0.613 CB 1.279 32 residues pruned to eliminate duplicates Z: 30 25.581 2.183 0.783 0.522 0.897 0.621 CB 1.333 30 residues pruned to eliminate duplicates Z: 10 7.178 1.969 0.282 0.556 0.889 0.667 CB 1.010 10 residues pruned to eliminate duplicates Z: 25 14.492 2.110 0.421 0.452 0.875 0.458 CB 1.185 25 residues pruned to eliminate duplicates Z: 14 9.023 2.068 0.144 0.404 0.769 0.615 CB 1.521 14 residues pruned to eliminate duplicates Z: 13 9.661 2.067 0.209 0.457 0.833 0.667 CB 1.399 13 residues pruned to eliminate duplicates Z: 29 24.761 2.196 0.882 0.515 0.857 0.429 CB 1.301 29 residues pruned to eliminate duplicates Z: 34 24.306 2.201 0.637 0.489 0.848 0.545 CB 1.399 33 residues pruned to eliminate duplicates Z: 6 4.465 1.813 0.648 0.139 1.000 0.600 CA 1.046 6 residues pruned to eliminate duplicates Z: 21 29.966 2.303 0.771 0.561 0.950 0.650 CB 1.630 21 residues pruned to eliminate duplicates Z: 22 23.217 2.247 0.788 0.484 0.905 0.619 CB 1.417 22 residues pruned to eliminate duplicates Z: 19 30.200 2.320 0.971 0.575 0.944 0.556 CB 1.534 19 residues pruned to eliminate duplicates Z: 11 22.135 2.400 0.837 0.617 0.900 0.500 CA 1.578 11 residues pruned to eliminate duplicates Z: 30 26.242 2.197 0.966 0.503 0.862 0.483 CB 1.305 30 residues pruned to eliminate duplicates Z: 14 18.500 2.247 0.847 0.473 0.923 0.462 CB 1.377 14 residues pruned to eliminate duplicates Z: 29 28.492 2.193 0.877 0.517 0.893 0.714 CB 1.440 28 residues pruned to eliminate duplicates Z: 9 26.766 2.132 1.232 0.877 0.875 0.625 CA 1.651 9 residues pruned to eliminate duplicates Z: 33 22.177 2.162 0.840 0.449 0.812 0.469 CB 1.278 33 residues pruned to eliminate duplicates Z: 33 27.570 2.216 0.729 0.513 0.875 0.594 CB 1.435 34 residues pruned to eliminate duplicates Z: 12 7.331 1.629 0.652 0.569 0.909 0.818 CB 0.845 12 residues pruned to eliminate duplicates Z: 28 24.439 2.192 0.835 0.508 0.889 0.481 CB 1.305 28 residues pruned to eliminate duplicates Z: 29 24.614 2.162 0.846 0.576 0.893 0.393 CB 1.213 29 residues pruned to eliminate duplicates Z: 22 14.007 2.044 0.768 0.557 0.714 0.524 CB 1.121 22 residues pruned to eliminate duplicates Z: 25 15.968 2.131 0.797 0.443 0.792 0.417 CB 1.140 25 residues pruned to eliminate duplicates Z: 27 23.142 2.146 0.820 0.524 0.885 0.538 CB 1.283 27 residues pruned to eliminate duplicates Z: 26 25.137 2.251 0.817 0.541 0.920 0.520 CB 1.283 26 residues pruned to eliminate duplicates Z: 25 34.338 2.309 0.975 0.585 0.958 0.542 CB 1.477 25 residues pruned to eliminate duplicates Z: 26 18.999 2.066 0.700 0.497 0.800 0.680 CB 1.358 28 residues pruned to eliminate duplicates Z: 9 15.916 2.043 0.941 0.671 0.750 0.375 CA 1.616 9 residues pruned to eliminate duplicates Z: 8 14.380 2.080 0.928 0.687 0.714 0.429 N 1.598 8 residues pruned to eliminate duplicates Z: 9 20.019 2.123 0.863 0.682 0.875 0.500 CB 1.730 9 residues pruned to eliminate duplicates Z: 14 12.670 2.015 0.656 0.547 0.692 0.385 CB 1.453 14 residues pruned to eliminate duplicates Z: 12 13.249 1.981 0.842 0.476 0.727 0.545 CB 1.541 12 residues pruned to eliminate duplicates Z: 37 30.053 2.152 0.827 0.536 0.889 0.528 CB 1.384 37 residues pruned to eliminate duplicates Z: 10 15.792 2.031 0.732 0.639 0.889 0.778 CB 1.479 10 residues pruned to eliminate duplicates Z: 14 11.672 2.038 0.756 0.466 0.615 0.462 CB 1.522 14 residues pruned to eliminate duplicates Z: 13 13.304 2.003 0.723 0.536 0.750 0.417 CB 1.432 13 residues pruned to eliminate duplicates Z: 104 40.338 2.064 0.612 0.521 0.893 0.583 CB 1.311 109 residues pruned to eliminate duplicates Z: 6 3.893 1.313 0.518 0.430 1.000 0.400 CA 0.939 6 residues pruned to eliminate duplicates Z: 54 24.120 1.974 0.460 0.487 0.906 0.604 CB 1.286 54 residues pruned to eliminate duplicates Z: 15 7.682 1.851 0.218 0.511 0.857 0.500 CB 1.051 15 residues pruned to eliminate duplicates Z: 78 30.836 1.996 0.487 0.486 0.948 0.519 CB 1.267 78 residues pruned to eliminate duplicates Z: 57 27.429 1.982 0.536 0.513 0.946 0.625 CB 1.256 57 residues pruned to eliminate duplicates 6 1.267 1.674 0.036 0.369 0.600 0.600 CB 0.626 ? Z: 23 10.166 1.876 0.258 0.511 0.864 0.591 CB 1.052 23 residues pruned to eliminate duplicates Z: 62 29.033 2.013 0.473 0.500 0.934 0.639 CB 1.342 62 residues pruned to eliminate duplicates Z: 12 9.972 1.895 0.367 0.474 0.909 0.636 CB 1.310 12 residues pruned to eliminate duplicates Z: 50 29.732 2.057 0.547 0.515 0.959 0.551 CB 1.371 50 residues pruned to eliminate duplicates Z: 14 7.298 1.765 0.462 0.391 0.769 0.538 CB 1.143 14 residues pruned to eliminate duplicates Z: 47 30.366 2.079 0.540 0.485 0.978 0.565 CB 1.451 47 residues pruned to eliminate duplicates Z: 49 28.219 2.071 0.583 0.455 0.938 0.542 CB 1.387 49 residues pruned to eliminate duplicates Z: 26 9.210 1.967 0.107 0.353 0.800 0.560 CB 1.239 26 residues pruned to eliminate duplicates Z: 38 22.837 1.985 0.497 0.519 0.973 0.541 CB 1.275 38 residues pruned to eliminate duplicates Z: 52 30.350 2.014 0.515 0.511 0.961 0.647 CB 1.434 52 residues pruned to eliminate duplicates Z: 51 30.095 2.036 0.612 0.466 0.960 0.460 CB 1.398 51 residues pruned to eliminate duplicates Z: 51 30.867 2.052 0.574 0.482 0.980 0.560 CB 1.404 51 residues pruned to eliminate duplicates Z: 19 11.809 2.030 0.366 0.391 0.833 0.389 CB 1.351 19 residues pruned to eliminate duplicates Z: 50 31.341 2.049 0.607 0.489 0.959 0.653 CB 1.433 50 residues pruned to eliminate duplicates Z: 45 29.874 2.072 0.587 0.460 0.977 0.591 CB 1.459 45 residues pruned to eliminate duplicates Z: 23 13.762 1.938 0.406 0.457 0.909 0.636 CB 1.238 23 residues pruned to eliminate duplicates Z: 24 10.803 1.991 0.293 0.270 0.870 0.478 CB 1.306 24 residues pruned to eliminate duplicates Z: 52 32.856 2.037 0.666 0.504 0.941 0.627 CB 1.436 53 residues pruned to eliminate duplicates Z: 6 3.394 2.082 0.508 0.181 0.600 0.400 CB 1.184 6 residues pruned to eliminate duplicates Z: 51 30.044 2.052 0.596 0.456 0.940 0.560 CB 1.444 51 residues pruned to eliminate duplicates Z: 51 28.167 2.015 0.688 0.448 0.920 0.480 CB 1.342 51 residues pruned to eliminate duplicates Z: 39 31.660 2.094 0.617 0.540 0.947 0.632 CB 1.540 38 residues pruned to eliminate duplicates Z: 16 26.545 1.950 0.898 0.758 1.000 0.800 CB 1.472 16 residues pruned to eliminate duplicates Z: 51 26.996 2.040 0.600 0.481 0.900 0.520 CB 1.325 51 residues pruned to eliminate duplicates Z: 53 29.888 2.012 0.685 0.495 0.904 0.538 CB 1.359 53 residues pruned to eliminate duplicates Z: 52 34.411 2.027 0.721 0.530 0.941 0.686 CB 1.425 53 residues pruned to eliminate duplicates Z: 11 28.141 2.112 1.043 0.920 1.000 0.600 CB 1.453 11 residues pruned to eliminate duplicates Z: 31 31.139 2.085 0.790 0.523 0.933 0.533 CB 1.595 31 residues pruned to eliminate duplicates Z: 30 32.633 2.085 0.831 0.540 0.966 0.621 CB 1.580 30 residues pruned to eliminate duplicates Z: 47 29.551 2.058 0.612 0.482 0.935 0.630 CB 1.432 47 residues pruned to eliminate duplicates Z: 30 35.623 2.082 0.914 0.567 1.000 0.621 CB 1.556 30 residues pruned to eliminate duplicates Z: 12 21.354 1.987 1.009 0.884 1.000 0.455 CB 1.165 12 residues pruned to eliminate duplicates Z: 50 30.050 2.062 0.735 0.464 0.898 0.592 CB 1.387 50 residues pruned to eliminate duplicates Z: 51 36.992 2.042 0.796 0.544 0.940 0.680 CB 1.453 50 residues pruned to eliminate duplicates Z: 13 26.028 2.097 0.992 0.764 1.000 0.500 CB 1.423 13 residues pruned to eliminate duplicates Z: 49 29.136 2.034 0.747 0.505 0.896 0.500 CB 1.315 49 residues pruned to eliminate duplicates Z: 52 30.201 2.036 0.687 0.469 0.922 0.549 CB 1.379 52 residues pruned to eliminate duplicates Z: 50 28.841 2.022 0.645 0.511 0.918 0.551 CB 1.334 50 residues pruned to eliminate duplicates Z: 33 29.319 2.035 0.766 0.535 0.938 0.375 CB 1.487 33 residues pruned to eliminate duplicates Z: 12 15.063 2.049 0.654 0.304 1.000 0.455 CB 1.666 12 residues pruned to eliminate duplicates Z: 20 23.926 2.099 0.949 0.536 0.895 0.263 CB 1.447 20 residues pruned to eliminate duplicates Z: 52 33.551 2.049 0.775 0.516 0.922 0.588 CB 1.380 53 residues pruned to eliminate duplicates Z: 12 13.013 1.856 0.285 0.877 1.000 0.636 CB 1.195 12 residues pruned to eliminate duplicates Z: 11 13.605 1.832 0.701 0.887 1.000 0.900 CB 0.996 11 residues pruned to eliminate duplicates Z: 20 11.211 1.777 0.291 0.596 0.947 0.632 CB 1.080 20 residues pruned to eliminate duplicates Z: 21 10.345 1.773 0.178 0.654 1.000 0.800 CB 0.959 21 residues pruned to eliminate duplicates Z: 21 11.673 1.769 0.303 0.642 1.000 0.700 CB 0.992 21 residues pruned to eliminate duplicates Z: 12 13.775 1.819 0.699 0.733 1.000 0.909 CB 1.089 12 residues pruned to eliminate duplicates Z: 13 12.319 1.774 0.362 0.746 1.000 0.750 CB 1.181 13 residues pruned to eliminate duplicates Z: 13 11.741 1.820 0.550 0.750 0.917 0.750 CB 1.049 13 residues pruned to eliminate duplicates Z: 15 12.111 1.749 0.417 0.751 1.000 0.857 CB 1.044 15 residues pruned to eliminate duplicates Z: 21 10.453 1.793 0.225 0.658 0.850 0.750 CB 1.080 21 residues pruned to eliminate duplicates Z: 13 13.161 1.830 0.491 0.829 1.000 0.750 CB 1.048 13 residues pruned to eliminate duplicates Z: 21 11.081 1.760 0.355 0.644 0.900 0.650 CB 1.010 21 residues pruned to eliminate duplicates Z: 22 12.134 1.757 0.534 0.625 0.857 0.619 CB 1.019 22 residues pruned to eliminate duplicates Z: 107 58.336 2.106 0.828 0.576 0.925 0.547 CB 1.480 128 residues pruned to eliminate duplicates Z: 8 7.479 1.859 0.010 0.832 0.857 0.571 CB 1.319 Z: 7 10.805 1.902 0.348 0.798 1.000 0.500 CB 1.326 7 residues pruned to eliminate duplicates Z: 8 8.940 1.786 0.257 0.836 1.000 0.857 CB 1.127 9 residues pruned to eliminate duplicates Z: 8 10.752 1.913 0.537 0.713 1.000 0.714 CB 1.139 7 residues pruned to eliminate duplicates Z: 9 9.957 1.859 0.318 0.745 1.000 0.875 CB 1.154 8 residues pruned to eliminate duplicates Z: 13 17.235 2.097 0.209 0.753 1.000 0.583 CB 1.566 13 residues pruned to eliminate duplicates Z: 50 26.690 2.159 0.463 0.421 0.898 0.469 CB 1.460 50 residues pruned to eliminate duplicates Z: 51 25.383 2.164 0.389 0.421 0.860 0.520 CB 1.507 51 residues pruned to eliminate duplicates Z: 33 22.184 2.032 0.422 0.610 0.875 0.594 CB 1.398 34 residues pruned to eliminate duplicates Z: 11 18.180 2.152 0.296 0.812 1.000 0.500 CB 1.571 11 residues pruned to eliminate duplicates Z: 51 31.601 2.169 0.537 0.435 0.940 0.460 CB 1.525 51 residues pruned to eliminate duplicates Z: 81 50.283 2.208 0.672 0.576 0.875 0.588 CB 1.618 81 residues pruned to eliminate duplicates Z: 60 31.299 2.117 0.536 0.469 0.898 0.525 CB 1.439 60 residues pruned to eliminate duplicates Z: 78 44.822 2.181 0.643 0.492 0.935 0.519 CB 1.537 78 residues pruned to eliminate duplicates Z: 60 33.240 2.161 0.600 0.447 0.898 0.542 CB 1.470 60 residues pruned to eliminate duplicates Z: 50 27.508 2.192 0.575 0.424 0.837 0.571 CB 1.473 50 residues pruned to eliminate duplicates Z: 55 29.772 2.183 0.581 0.431 0.870 0.463 CB 1.448 55 residues pruned to eliminate duplicates Z: 32 20.448 1.994 0.465 0.570 0.935 0.484 CB 1.256 32 residues pruned to eliminate duplicates Z: 68 40.327 2.200 0.676 0.479 0.896 0.537 CB 1.524 68 residues pruned to eliminate duplicates Z: 51 24.359 2.162 0.532 0.399 0.780 0.520 CB 1.484 51 residues pruned to eliminate duplicates Z: 50 29.555 2.177 0.537 0.443 0.878 0.612 CB 1.525 50 residues pruned to eliminate duplicates Z: 59 32.946 2.155 0.523 0.476 0.897 0.500 CB 1.506 59 residues pruned to eliminate duplicates Z: 80 51.485 2.212 0.734 0.546 0.924 0.620 CB 1.562 80 residues pruned to eliminate duplicates Z: 35 21.793 2.187 0.737 0.319 0.853 0.441 CB 1.409 35 residues pruned to eliminate duplicates Z: 82 55.159 2.208 0.771 0.581 0.901 0.630 CB 1.609 82 residues pruned to eliminate duplicates Z: 48 30.835 2.213 0.626 0.441 0.915 0.511 CB 1.452 48 residues pruned to eliminate duplicates Z: 31 20.868 2.200 0.724 0.312 0.867 0.533 CB 1.427 31 residues pruned to eliminate duplicates Z: 51 28.445 2.175 0.521 0.432 0.900 0.480 CB 1.450 51 residues pruned to eliminate duplicates Z: 59 49.918 2.273 0.856 0.531 0.931 0.724 CB 1.619 59 residues pruned to eliminate duplicates Z: 50 29.684 2.199 0.502 0.417 0.918 0.531 CB 1.525 50 residues pruned to eliminate duplicates Z: 27 19.238 2.088 0.573 0.357 0.846 0.538 CA 1.583 27 residues pruned to eliminate duplicates Z: 29 27.968 2.249 0.881 0.346 0.929 0.536 CB 1.590 29 residues pruned to eliminate duplicates Z: 51 26.151 2.099 0.565 0.394 0.820 0.400 CB 1.535 51 residues pruned to eliminate duplicates Z: 61 51.697 2.221 0.961 0.549 0.917 0.650 CB 1.594 61 residues pruned to eliminate duplicates Z: 30 24.545 2.190 0.804 0.368 0.897 0.621 CB 1.483 30 residues pruned to eliminate duplicates Z: 88 52.412 2.193 0.685 0.545 0.908 0.598 CB 1.603 88 residues pruned to eliminate duplicates Z: 51 34.265 2.206 0.574 0.452 0.940 0.560 CB 1.561 51 residues pruned to eliminate duplicates Z: 18 12.299 2.053 0.674 0.285 0.882 0.412 CB 1.253 18 residues pruned to eliminate duplicates Z: 27 14.679 2.043 0.623 0.304 0.808 0.346 CB 1.337 27 residues pruned to eliminate duplicates Z: 71 53.277 2.153 0.738 0.622 0.943 0.714 CA 1.608 71 residues pruned to eliminate duplicates Z: 80 54.870 2.229 0.764 0.567 0.924 0.620 CB 1.592 80 residues pruned to eliminate duplicates Z: 51 32.199 2.183 0.545 0.459 0.900 0.540 CB 1.564 51 residues pruned to eliminate duplicates Z: 28 26.812 2.248 0.685 0.387 0.963 0.593 CB 1.596 28 residues pruned to eliminate duplicates Z: 29 25.535 2.222 0.903 0.275 0.929 0.464 CB 1.585 29 residues pruned to eliminate duplicates Z: 30 30.017 2.242 0.834 0.371 1.000 0.552 CB 1.555 30 residues pruned to eliminate duplicates Z: 80 51.475 2.245 0.691 0.565 0.886 0.595 CB 1.617 80 residues pruned to eliminate duplicates Z: 41 35.189 2.129 0.812 0.663 0.875 0.750 CB 1.417 41 residues pruned to eliminate duplicates Z: 89 60.322 2.168 0.813 0.586 0.932 0.670 CB 1.617 89 residues pruned to eliminate duplicates Z: 66 49.792 2.187 0.876 0.539 0.923 0.631 CA 1.568 66 residues pruned to eliminate duplicates Z: 31 24.727 2.239 0.737 0.338 0.867 0.500 CA 1.599 31 residues pruned to eliminate duplicates Z: 36 29.515 2.137 0.781 0.575 0.914 0.657 CA 1.333 36 residues pruned to eliminate duplicates Z: 44 43.213 2.134 0.875 0.655 0.930 0.698 CB 1.533 44 residues pruned to eliminate duplicates Z: 34 50.125 2.249 1.070 0.741 0.909 0.667 CA 1.662 34 residues pruned to eliminate duplicates Z: 60 56.432 2.264 0.917 0.582 0.966 0.695 CB 1.619 60 residues pruned to eliminate duplicates Z: 55 46.247 2.259 0.817 0.531 0.907 0.537 CA 1.640 55 residues pruned to eliminate duplicates Z: 87 56.608 2.219 0.770 0.573 0.919 0.570 CB 1.576 87 residues pruned to eliminate duplicates Z: 34 49.502 2.229 0.889 0.745 0.939 0.697 CB 1.751 34 residues pruned to eliminate duplicates Z: 37 42.511 2.225 0.827 0.664 0.917 0.556 CB 1.633 37 residues pruned to eliminate duplicates Z: 93 60.834 2.171 0.787 0.608 0.913 0.652 CB 1.616 93 residues pruned to eliminate duplicates Z: 88 55.951 2.188 0.788 0.579 0.908 0.517 CB 1.565 88 residues pruned to eliminate duplicates Z: 12 40.029 2.354 1.004 0.888 1.000 0.455 CA 1.842 12 residues pruned to eliminate duplicates Z: 68 54.675 2.186 0.907 0.546 0.940 0.507 CB 1.628 68 residues pruned to eliminate duplicates Z: 37 48.530 2.215 1.051 0.639 0.972 0.500 CA 1.608 37 residues pruned to eliminate duplicates Z: 86 60.578 2.191 0.754 0.625 0.929 0.518 CB 1.636 86 residues pruned to eliminate duplicates Z: 38 56.562 2.240 0.989 0.755 1.000 0.703 CB 1.664 38 residues pruned to eliminate duplicates Z: 100 68.351 2.190 0.789 0.621 0.970 0.616 CB 1.613 100 residues pruned to eliminate duplicates Z: 33 55.807 2.266 1.142 0.740 0.969 0.688 CB 1.692 33 residues pruned to eliminate duplicates Z: 62 58.388 2.219 0.948 0.587 0.951 0.689 CB 1.674 62 residues pruned to eliminate duplicates Z: 35 34.776 2.062 0.925 0.647 0.882 0.618 CB 1.484 35 residues pruned to eliminate duplicates Z: 31 48.038 2.082 0.859 0.870 1.000 0.767 CB 1.653 31 residues pruned to eliminate duplicates Z: 37 49.968 2.165 1.119 0.656 0.972 0.528 CB 1.615 37 residues pruned to eliminate duplicates Z: 41 51.887 2.197 1.043 0.745 0.900 0.550 CB 1.631 41 residues pruned to eliminate duplicates Z: 51 60.320 2.174 1.054 0.746 0.940 0.600 CB 1.630 51 residues pruned to eliminate duplicates Z: 67 57.049 2.164 0.849 0.656 0.970 0.500 CB 1.565 67 residues pruned to eliminate duplicates Z: 44 56.329 2.166 0.884 0.799 1.000 0.651 CB 1.621 44 residues pruned to eliminate duplicates Z: 48 64.774 2.190 0.957 0.801 1.000 0.681 CB 1.694 48 residues pruned to eliminate duplicates Z: 92 62.211 2.185 0.812 0.614 0.934 0.473 CB 1.583 92 residues pruned to eliminate duplicates Z: 32 40.252 2.036 0.939 0.830 0.935 0.645 CB 1.472 32 residues pruned to eliminate duplicates Z: 52 60.220 2.104 1.083 0.775 0.961 0.490 CB 1.570 52 residues pruned to eliminate duplicates Z: 21 28.561 1.799 0.799 0.811 1.000 0.650 CB 1.505 21 residues pruned to eliminate duplicates Z: 44 60.678 2.208 0.988 0.804 0.977 0.558 CB 1.656 44 residues pruned to eliminate duplicates Z: 43 60.957 2.198 1.023 0.820 0.976 0.548 CB 1.641 43 residues pruned to eliminate duplicates Z: 19 29.290 1.844 0.929 0.836 0.944 0.667 CB 1.538 19 residues pruned to eliminate duplicates Z: 69 61.167 2.199 0.935 0.622 0.941 0.515 CB 1.651 69 residues pruned to eliminate duplicates Z: 92 57.901 2.174 0.760 0.595 0.923 0.527 CB 1.569 92 residues pruned to eliminate duplicates Z: 17 21.221 1.891 0.754 0.865 0.750 0.500 CA 1.562 17 residues pruned to eliminate duplicates Z: 30 38.525 2.018 0.771 0.920 0.966 0.690 CB 1.460 30 residues pruned to eliminate duplicates Z: 42 60.926 2.135 1.082 0.837 0.951 0.683 CB 1.684 42 residues pruned to eliminate duplicates Z: 41 50.856 2.144 0.943 0.786 0.925 0.500 CB 1.623 41 residues pruned to eliminate duplicates Z: 47 57.532 2.140 1.143 0.807 0.913 0.500 CB 1.550 47 residues pruned to eliminate duplicates Z: 49 53.496 2.150 1.062 0.776 0.917 0.396 CB 1.489 49 residues pruned to eliminate duplicates 6 1.209 1.317 0.639 0.100 0.600 0.200 N 0.696 ? Z: 11 17.672 2.199 0.635 0.618 0.900 0.400 CA 1.544 8 residues pruned to eliminate duplicates Z: 12 21.335 2.049 1.083 0.694 0.909 0.545 CA 1.389 13 residues pruned to eliminate duplicates Z: 11 22.892 1.948 1.045 0.797 0.900 0.600 CB 1.557 11 residues pruned to eliminate duplicates Z: 26 25.701 2.114 0.773 0.550 0.920 0.360 CB 1.421 28 residues pruned to eliminate duplicates Z: 9 21.838 2.042 0.989 0.892 0.875 0.125 CA 1.560 9 residues pruned to eliminate duplicates Z: 15 15.702 1.908 0.888 0.516 0.857 0.429 CB 1.337 15 residues pruned to eliminate duplicates Z: 27 24.542 2.126 0.704 0.531 0.846 0.462 CB 1.523 27 residues pruned to eliminate duplicates Z: 30 23.685 2.027 0.715 0.544 0.862 0.552 CB 1.405 30 residues pruned to eliminate duplicates Z: 9 17.523 1.943 1.135 0.810 0.750 0.250 CB 1.520 9 residues pruned to eliminate duplicates Z: 27 26.533 2.150 0.784 0.542 0.885 0.423 CB 1.472 27 residues pruned to eliminate duplicates Z: 27 27.799 2.160 0.900 0.543 0.846 0.462 CB 1.505 26 residues pruned to eliminate duplicates Z: 6 2.874 1.749 0.241 0.432 1.000 0.800 CB 0.635 6 residues pruned to eliminate duplicates Z: 26 23.359 2.169 0.764 0.548 0.800 0.480 CB 1.456 26 residues pruned to eliminate duplicates Z: 16 15.349 2.115 0.828 0.464 0.867 0.333 CB 1.227 16 residues pruned to eliminate duplicates Z: 15 13.626 2.115 0.568 0.456 0.786 0.357 CB 1.463 15 residues pruned to eliminate duplicates Z: 27 20.257 2.141 0.657 0.539 0.808 0.500 CB 1.334 27 residues pruned to eliminate duplicates Z: 29 24.227 2.105 0.705 0.515 0.893 0.607 CB 1.408 29 residues pruned to eliminate duplicates Z: 27 14.248 2.124 0.397 0.448 0.808 0.462 CB 1.229 28 residues pruned to eliminate duplicates Z: 8 11.861 1.936 0.862 0.797 0.714 0.286 CB 1.342 8 residues pruned to eliminate duplicates Z: 49 22.763 2.084 0.637 0.469 0.771 0.438 CB 1.288 86 residues pruned to eliminate duplicates Z: 26 19.132 2.032 0.819 0.480 0.760 0.360 CB 1.389 Z: 9 16.449 1.961 0.837 0.717 0.875 0.500 CA 1.517 9 residues pruned to eliminate duplicates Z: 10 12.114 1.910 0.653 0.630 0.889 0.444 CB 1.273 10 residues pruned to eliminate duplicates Z: 25 20.449 2.228 0.420 0.479 0.917 0.625 CB 1.470 25 residues pruned to eliminate duplicates Z: 21 18.248 2.113 0.554 0.492 0.900 0.550 CB 1.392 21 residues pruned to eliminate duplicates Z: 19 17.193 2.174 0.846 0.507 0.722 0.500 CB 1.388 19 residues pruned to eliminate duplicates Z: 50 24.711 2.124 0.682 0.439 0.816 0.469 CB 1.289 50 residues pruned to eliminate duplicates Z: 17 20.150 2.209 0.744 0.602 0.875 0.438 CB 1.356 17 residues pruned to eliminate duplicates Z: 29 19.357 2.078 0.685 0.491 0.821 0.571 CB 1.283 29 residues pruned to eliminate duplicates Z: 21 17.402 2.149 0.654 0.573 0.850 0.500 CB 1.200 21 residues pruned to eliminate duplicates Z: 17 21.007 2.316 0.674 0.561 0.938 0.562 CB 1.362 17 residues pruned to eliminate duplicates Z: 26 18.439 2.158 0.508 0.527 0.880 0.600 CB 1.254 26 residues pruned to eliminate duplicates Z: 21 16.698 2.070 0.496 0.492 0.900 0.550 CB 1.350 21 residues pruned to eliminate duplicates Z: 44 22.279 2.077 0.631 0.406 0.791 0.419 CB 1.400 44 residues pruned to eliminate duplicates Z: 26 19.854 2.150 0.820 0.497 0.880 0.520 CB 1.156 26 residues pruned to eliminate duplicates Z: 21 18.429 2.179 1.028 0.468 0.850 0.400 CB 1.133 21 residues pruned to eliminate duplicates Z: 20 19.905 2.159 0.904 0.508 0.895 0.632 CB 1.231 20 residues pruned to eliminate duplicates Z: 26 23.251 2.178 0.835 0.543 0.880 0.560 CB 1.268 26 residues pruned to eliminate duplicates Z: 22 24.025 1.909 0.712 0.686 0.857 0.571 CB 1.577 22 residues pruned to eliminate duplicates Z: 27 18.548 2.096 0.578 0.537 0.885 0.577 CB 1.199 27 residues pruned to eliminate duplicates Z: 9 6.765 1.834 0.083 0.567 0.875 0.750 CB 1.290 7 residues pruned to eliminate duplicates Z: 8 5.657 1.500 0.349 0.497 0.857 0.571 CA 1.237 8 residues pruned to eliminate duplicates Z: 14 7.755 1.925 0.346 0.382 0.769 0.538 CB 1.224 14 residues pruned to eliminate duplicates Z: 36 26.169 1.977 0.525 0.558 0.914 0.543 CB 1.516 36 residues pruned to eliminate duplicates Z: 36 26.202 2.019 0.580 0.548 0.886 0.543 CB 1.496 38 residues pruned to eliminate duplicates Z: 9 5.446 1.575 0.201 0.598 0.875 0.750 CB 1.060 9 residues pruned to eliminate duplicates Z: 18 9.947 1.926 0.262 0.406 0.882 0.471 CB 1.242 18 residues pruned to eliminate duplicates Z: 34 28.070 1.977 0.665 0.506 0.939 0.576 CB 1.571 34 residues pruned to eliminate duplicates Z: 40 24.470 2.020 0.467 0.544 0.923 0.513 CB 1.373 40 residues pruned to eliminate duplicates Z: 26 28.391 2.129 0.546 0.674 0.920 0.800 CB 1.597 26 residues pruned to eliminate duplicates Z: 26 26.754 2.095 0.566 0.612 0.920 0.600 CB 1.594 26 residues pruned to eliminate duplicates Z: 38 24.407 2.041 0.456 0.544 0.919 0.595 CB 1.408 38 residues pruned to eliminate duplicates Z: 24 30.478 2.018 0.710 0.597 0.957 0.609 CB 1.754 24 residues pruned to eliminate duplicates Z: 36 26.854 2.038 0.551 0.571 0.914 0.657 CB 1.466 36 residues pruned to eliminate duplicates Z: 30 28.979 2.090 0.627 0.601 0.931 0.655 CB 1.544 30 residues pruned to eliminate duplicates Z: 27 29.612 2.114 0.664 0.657 0.923 0.731 CB 1.545 27 residues pruned to eliminate duplicates Z: 39 26.584 2.041 0.542 0.557 0.895 0.553 CB 1.448 39 residues pruned to eliminate duplicates Z: 46 26.690 1.956 0.591 0.562 0.911 0.533 CB 1.321 46 residues pruned to eliminate duplicates Z: 41 24.101 1.977 0.582 0.535 0.850 0.600 CB 1.385 41 residues pruned to eliminate duplicates Z: 43 27.526 2.023 0.575 0.549 0.905 0.500 CB 1.405 43 residues pruned to eliminate duplicates Z: 41 24.993 2.046 0.480 0.519 0.875 0.500 CB 1.465 41 residues pruned to eliminate duplicates Z: 29 25.800 2.052 0.583 0.648 0.929 0.500 CB 1.409 29 residues pruned to eliminate duplicates Z: 27 29.775 2.122 0.750 0.678 0.885 0.577 CB 1.510 27 residues pruned to eliminate duplicates Z: 28 25.809 2.106 0.576 0.618 0.926 0.667 CB 1.445 28 residues pruned to eliminate duplicates Z: 26 30.184 2.115 0.613 0.693 0.960 0.560 CB 1.546 26 residues pruned to eliminate duplicates Z: 29 26.305 2.067 0.618 0.649 0.964 0.464 CB 1.341 29 residues pruned to eliminate duplicates Z: 41 26.776 2.024 0.685 0.566 0.875 0.700 CB 1.330 41 residues pruned to eliminate duplicates Z: 27 29.754 2.089 0.682 0.675 0.923 0.615 CB 1.531 27 residues pruned to eliminate duplicates Z: 42 26.607 2.031 0.571 0.575 0.902 0.610 CB 1.342 42 residues pruned to eliminate duplicates Z: 48 22.262 1.956 0.498 0.517 0.915 0.511 CB 1.191 48 residues pruned to eliminate duplicates Z: 31 28.470 2.058 0.704 0.594 0.900 0.533 CB 1.505 31 residues pruned to eliminate duplicates Z: 42 26.039 2.048 0.511 0.532 0.902 0.512 CB 1.411 42 residues pruned to eliminate duplicates Z: 31 25.814 2.106 0.562 0.626 0.867 0.567 CB 1.468 31 residues pruned to eliminate duplicates Z: 30 26.795 2.060 0.725 0.636 0.897 0.414 CB 1.375 30 residues pruned to eliminate duplicates Z: 41 26.473 2.047 0.569 0.559 0.875 0.575 CB 1.407 41 residues pruned to eliminate duplicates Z: 47 32.523 2.024 0.561 0.619 0.935 0.652 CB 1.451 50 residues pruned to eliminate duplicates Z: 26 27.983 1.997 0.439 0.822 1.000 0.840 CB 1.473 26 residues pruned to eliminate duplicates Z: 49 31.602 2.039 0.449 0.657 0.958 0.646 CB 1.392 49 residues pruned to eliminate duplicates Z: 59 32.745 2.006 0.516 0.553 0.966 0.483 CB 1.391 59 residues pruned to eliminate duplicates Z: 19 19.013 2.038 0.411 0.705 0.944 0.667 CB 1.369 19 residues pruned to eliminate duplicates Z: 37 32.036 2.070 0.492 0.715 0.972 0.750 CB 1.463 37 residues pruned to eliminate duplicates Z: 60 32.752 2.029 0.593 0.585 0.932 0.525 CB 1.305 60 residues pruned to eliminate duplicates Z: 84 37.015 1.984 0.462 0.579 0.928 0.614 CB 1.400 84 residues pruned to eliminate duplicates Z: 39 27.954 1.991 0.514 0.685 0.921 0.605 CB 1.378 39 residues pruned to eliminate duplicates Z: 82 48.862 2.056 0.656 0.660 0.938 0.617 CB 1.466 85 residues pruned to eliminate duplicates Z: 26 28.770 1.970 0.656 0.877 0.880 0.720 CB 1.456 26 residues pruned to eliminate duplicates Z: 42 27.283 1.972 0.520 0.676 0.951 0.610 CB 1.270 42 residues pruned to eliminate duplicates Z: 69 40.737 2.049 0.650 0.645 0.912 0.559 CB 1.399 69 residues pruned to eliminate duplicates Z: 40 26.419 1.961 0.538 0.676 0.949 0.538 CB 1.257 40 residues pruned to eliminate duplicates Z: 86 38.146 1.976 0.586 0.585 0.929 0.553 CB 1.310 86 residues pruned to eliminate duplicates Z: 44 29.951 1.984 0.681 0.691 0.930 0.558 CB 1.236 44 residues pruned to eliminate duplicates Z: 35 28.097 1.980 0.737 0.681 0.941 0.588 CB 1.261 35 residues pruned to eliminate duplicates Z: 39 32.208 1.991 0.839 0.678 0.895 0.421 CB 1.354 39 residues pruned to eliminate duplicates Z: 43 31.623 1.977 0.717 0.682 0.952 0.524 CB 1.277 43 residues pruned to eliminate duplicates Z: 70 43.921 2.034 0.654 0.680 0.928 0.580 CB 1.435 70 residues pruned to eliminate duplicates Z: 59 37.368 2.016 0.689 0.696 0.879 0.603 CB 1.370 53 residues pruned to eliminate duplicates Z: 24 33.160 2.023 0.921 0.855 0.913 0.478 CB 1.439 24 residues pruned to eliminate duplicates Z: 71 41.962 2.030 0.684 0.632 0.929 0.543 CB 1.395 71 residues pruned to eliminate duplicates Z: 46 31.450 1.962 0.658 0.615 0.956 0.511 CB 1.352 46 residues pruned to eliminate duplicates Z: 40 37.837 2.017 0.811 0.730 0.974 0.564 CB 1.384 40 residues pruned to eliminate duplicates Z: 32 27.463 2.021 0.596 0.717 0.935 0.581 CB 1.344 32 residues pruned to eliminate duplicates Z: 40 36.840 2.040 0.736 0.714 0.949 0.667 CB 1.446 40 residues pruned to eliminate duplicates Z: 40 35.529 2.016 0.854 0.679 0.949 0.538 CB 1.360 40 residues pruned to eliminate duplicates Z: 60 40.719 2.052 0.672 0.687 0.932 0.627 CB 1.397 60 residues pruned to eliminate duplicates Z: 84 39.352 1.991 0.570 0.618 0.928 0.530 CB 1.332 84 residues pruned to eliminate duplicates Z: 83 42.555 2.009 0.618 0.642 0.939 0.524 CB 1.349 83 residues pruned to eliminate duplicates Z: 39 35.609 2.031 0.764 0.719 0.947 0.579 CB 1.396 39 residues pruned to eliminate duplicates Z: 9 10.389 1.920 0.354 0.631 1.000 0.500 CB 1.249 9 residues pruned to eliminate duplicates Z: 58 38.270 2.046 0.557 0.697 0.912 0.614 CB 1.458 63 residues pruned to eliminate duplicates Z: 6 3.761 1.496 0.565 0.459 0.800 0.600 CB 0.936 6 residues pruned to eliminate duplicates Z: 39 28.443 1.977 0.726 0.716 0.868 0.553 CB 1.280 39 residues pruned to eliminate duplicates Z: 53 32.003 2.007 0.706 0.635 0.904 0.615 CB 1.264 53 residues pruned to eliminate duplicates Z: 53 40.297 1.991 0.702 0.716 0.923 0.596 CB 1.469 53 residues pruned to eliminate duplicates Z: 65 44.114 2.029 0.647 0.682 0.969 0.641 CB 1.441 65 residues pruned to eliminate duplicates Z: 18 19.485 1.958 0.407 0.794 0.941 0.706 CA 1.408 18 residues pruned to eliminate duplicates Z: 28 24.204 1.947 0.683 0.579 0.889 0.704 CB 1.482 27 residues pruned to eliminate duplicates Z: 16 27.240 2.003 0.521 0.908 1.000 0.933 CA 1.639 16 residues pruned to eliminate duplicates Z: 57 40.245 2.039 0.691 0.721 0.929 0.625 CB 1.376 57 residues pruned to eliminate duplicates Z: 8 11.616 2.019 0.216 0.614 1.000 0.714 O 1.606 8 residues pruned to eliminate duplicates Z: 52 30.672 1.990 0.498 0.641 0.882 0.608 CB 1.431 52 residues pruned to eliminate duplicates Z: 24 23.123 2.071 0.527 0.609 0.913 0.609 CB 1.505 24 residues pruned to eliminate duplicates Z: 17 22.606 2.171 0.136 0.802 1.000 0.812 CB 1.760 17 residues pruned to eliminate duplicates Z: 24 24.935 2.149 0.532 0.641 0.870 0.652 CB 1.592 24 residues pruned to eliminate duplicates Z: 23 19.926 2.083 0.426 0.634 0.818 0.727 CB 1.542 23 residues pruned to eliminate duplicates Z: 55 29.168 1.976 0.589 0.644 0.889 0.648 CB 1.243 55 residues pruned to eliminate duplicates Z: 27 23.450 2.073 0.572 0.612 0.885 0.615 CB 1.434 27 residues pruned to eliminate duplicates Z: 19 27.834 2.023 0.799 0.781 0.889 0.778 CB 1.583 19 residues pruned to eliminate duplicates Z: 17 38.074 2.162 0.891 0.819 1.000 0.875 CB 1.766 17 residues pruned to eliminate duplicates Z: 26 22.663 2.090 0.644 0.613 0.840 0.520 CB 1.411 26 residues pruned to eliminate duplicates Z: 25 27.443 2.110 0.805 0.617 0.875 0.375 CB 1.505 25 residues pruned to eliminate duplicates Z: 24 29.111 2.151 0.726 0.661 0.913 0.652 CB 1.542 24 residues pruned to eliminate duplicates Z: 24 30.870 2.186 0.864 0.649 0.913 0.652 CB 1.505 26 residues pruned to eliminate duplicates Z: 6 5.248 1.297 0.990 0.484 1.000 1.000 O 0.925 6 residues pruned to eliminate duplicates Z: 24 18.849 2.005 0.486 0.519 0.957 0.478 CB 1.353 24 residues pruned to eliminate duplicates Z: 46 24.357 1.910 0.381 0.611 0.889 0.622 CB 1.394 46 residues pruned to eliminate duplicates Z: 27 24.480 2.026 0.506 0.630 0.923 0.692 CB 1.508 27 residues pruned to eliminate duplicates Z: 39 25.280 1.987 0.437 0.614 0.921 0.658 CB 1.400 39 residues pruned to eliminate duplicates Z: 27 23.224 2.015 0.432 0.622 0.962 0.654 CB 1.463 27 residues pruned to eliminate duplicates Z: 28 25.513 1.991 0.524 0.691 0.926 0.778 CB 1.467 28 residues pruned to eliminate duplicates Z: 37 31.195 2.040 0.514 0.710 0.972 0.722 CB 1.431 37 residues pruned to eliminate duplicates Z: 39 32.004 2.022 0.648 0.671 0.921 0.658 CB 1.444 44 residues pruned to eliminate duplicates Z: 16 24.167 2.018 0.515 0.879 0.933 0.867 CB 1.586 16 residues pruned to eliminate duplicates Z: 26 26.697 2.063 0.548 0.718 0.960 0.760 CB 1.430 26 residues pruned to eliminate duplicates Z: 25 22.964 2.071 0.471 0.678 0.917 0.833 CB 1.424 25 residues pruned to eliminate duplicates Z: 24 24.864 2.012 0.674 0.661 0.957 0.783 CB 1.385 24 residues pruned to eliminate duplicates Z: 38 25.579 1.946 0.517 0.644 0.892 0.622 CB 1.396 38 residues pruned to eliminate duplicates Z: 26 22.083 1.980 0.472 0.631 0.960 0.800 CB 1.396 26 residues pruned to eliminate duplicates Z: 36 27.536 2.005 0.562 0.691 0.886 0.714 CB 1.409 36 residues pruned to eliminate duplicates Z: 27 27.327 2.031 0.661 0.703 0.923 0.692 CB 1.431 27 residues pruned to eliminate duplicates Z: 39 28.323 1.959 0.536 0.665 0.895 0.632 CA 1.465 39 residues pruned to eliminate duplicates Z: 27 28.472 2.059 0.542 0.734 0.962 0.731 CB 1.482 27 residues pruned to eliminate duplicates Z: 27 29.520 2.061 0.606 0.723 0.962 0.808 CB 1.487 27 residues pruned to eliminate duplicates Z: 27 23.291 2.003 0.523 0.721 0.885 0.692 CB 1.386 27 residues pruned to eliminate duplicates Z: 41 27.754 1.960 0.510 0.654 0.925 0.625 CB 1.389 41 residues pruned to eliminate duplicates Z: 38 29.559 1.979 0.574 0.656 0.919 0.649 CA 1.468 38 residues pruned to eliminate duplicates Z: 28 27.483 2.004 0.630 0.700 0.926 0.741 CA 1.457 28 residues pruned to eliminate duplicates Z: 40 30.120 1.979 0.579 0.679 0.923 0.615 CB 1.418 40 residues pruned to eliminate duplicates Z: 12 13.676 1.948 0.308 0.792 0.909 0.818 CB 1.378 13 residues pruned to eliminate duplicates Z: 12 13.745 1.837 0.277 0.860 1.000 0.727 CA 1.300 12 residues pruned to eliminate duplicates Z: 41 27.860 1.985 0.462 0.645 0.950 0.675 CB 1.396 41 residues pruned to eliminate duplicates Z: 32 20.866 1.848 0.756 0.593 0.839 0.516 CB 1.260 37 residues pruned to eliminate duplicates Z: 11 12.826 1.912 0.260 0.904 1.000 1.000 CA 1.199 11 residues pruned to eliminate duplicates Z: 17 14.965 1.873 0.615 0.643 0.875 0.688 CA 1.237 17 residues pruned to eliminate duplicates Z: 19 10.395 1.858 0.426 0.522 0.833 0.389 CB 1.087 19 residues pruned to eliminate duplicates Z: 13 11.795 1.894 0.684 0.618 0.750 0.333 CA 1.273 13 residues pruned to eliminate duplicates Z: 15 16.424 1.913 0.821 0.691 0.786 0.357 CA 1.347 15 residues pruned to eliminate duplicates Z: 23 18.300 1.871 0.810 0.560 0.818 0.545 CB 1.329 23 residues pruned to eliminate duplicates Z: 33 22.643 1.817 0.926 0.598 0.812 0.500 CB 1.282 33 residues pruned to eliminate duplicates Z: 20 17.260 1.873 0.732 0.609 0.842 0.421 CB 1.308 20 residues pruned to eliminate duplicates Z: 33 25.503 1.844 0.886 0.630 0.875 0.469 CB 1.311 33 residues pruned to eliminate duplicates Z: 6 6.059 1.691 0.778 0.222 1.000 0.200 CA 1.248 6 residues pruned to eliminate duplicates 1081 residues left after pruning, divided into chains as follows: A: 6 B: 6 C: 6 D: 17 E: 6 F: 8 G: 18 H: 17 I: 15 J: 21 K: 50 L: 16 M: 28 N: 49 O: 20 P: 12 Q: 22 R: 96 S: 32 T: 82 U: 39 V: 34 W: 73 X: 114 Y: 100 Z: 107 Z: 44 Z: 7 Z: 36 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 31.95 % ------------------------------------------------------------------------------ Global autotracing cycle 6 Phases from autotracing cycle 3 used as input for final density modification = 0.300, Contrast = 0.491, Connect. = 0.732 for dens.mod. cycle 1 = 0.300, Contrast = 0.558, Connect. = 0.750 for dens.mod. cycle 2 = 0.300, Contrast = 0.658, Connect. = 0.780 for dens.mod. cycle 3 = 0.300, Contrast = 0.665, Connect. = 0.781 for dens.mod. cycle 4 = 0.300, Contrast = 0.672, Connect. = 0.781 for dens.mod. cycle 5 = 0.300, Contrast = 0.675, Connect. = 0.782 for dens.mod. cycle 6 = 0.300, Contrast = 0.680, Connect. = 0.783 for dens.mod. cycle 7 = 0.300, Contrast = 0.682, Connect. = 0.784 for dens.mod. cycle 8 = 0.300, Contrast = 0.684, Connect. = 0.785 for dens.mod. cycle 9 = 0.300, Contrast = 0.685, Connect. = 0.786 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 4.56 - 3.62 - 3.16 - 2.87 - 2.66 - 2.50 - 2.38 - 2.27 - 2.19 - 2.11 0.730 0.734 0.686 0.661 0.648 0.640 0.645 0.590 0.590 0.539 0.858 0.873 0.849 0.840 0.834 0.830 0.858 0.847 0.849 0.780 N 10070 9996 10032 10061 10242 10280 9641 10740 9128 9958 Estimated mean FOM = 0.647 Pseudo-free CC = 67.31 % TimeTaking 380.42